Daily Papers

AlphaFold has transformed protein structure prediction, but emerging applications such as virtual ligand screening, proteome-wide folding, and de novo binder design demand predictions at a massive scale, where runtime and memory costs become prohibitive. A major bottleneck lies in the Pairformer backbone of AlphaFold3-style models, which relies on computationally expensive triangular primitives-especially triangle attention-for pairwise reasoning. We introduce Pairmixer, a streamlined alternative that eliminates triangle attention while preserving higher-order geometric reasoning capabilities that are critical for structure prediction. Pairmixer substantially improves computational efficiency, matching state-of-the-art structure predictors across folding and docking benchmarks, delivering up to 4x faster inference on long sequences while reducing training cost by 34%. Its efficiency alleviates the computational burden of downstream applications such as modeling large protein complexes, high-throughput ligand and binder screening, and hallucination-based design. Within BoltzDesign, for example, Pairmixer delivers over 2x faster sampling and scales to sequences ~30% longer than the memory limits of Pairformer.

Accurate blind docking has the potential to lead to new biological breakthroughs, but for this promise to be realized, docking methods must generalize well across the proteome. Existing benchmarks, however, fail to rigorously assess generalizability. Therefore, we develop DockGen, a new benchmark based on the ligand-binding domains of proteins, and we show that existing machine learning-based docking models have very weak generalization abilities. We carefully analyze the scaling laws of ML-based docking and show that, by scaling data and model size, as well as integrating synthetic data strategies, we are able to significantly increase the generalization capacity and set new state-of-the-art performance across benchmarks. Further, we propose Confidence Bootstrapping, a new training paradigm that solely relies on the interaction between diffusion and confidence models and exploits the multi-resolution generation process of diffusion models. We demonstrate that Confidence Bootstrapping significantly improves the ability of ML-based docking methods to dock to unseen protein classes, edging closer to accurate and generalizable blind docking methods.

The effects of ligand binding on protein structures and their in vivo functions carry numerous implications for modern biomedical research and biotechnology development efforts such as drug discovery. Although several deep learning (DL) methods and benchmarks designed for protein-ligand docking have recently been introduced, to date no prior works have systematically studied the behavior of the latest docking and structure prediction methods within the broadly applicable context of (1) using predicted (apo) protein structures for docking (e.g., for applicability to new proteins); (2) binding multiple (cofactor) ligands concurrently to a given target protein (e.g., for enzyme design); and (3) having no prior knowledge of binding pockets (e.g., for generalization to unknown pockets). To enable a deeper understanding of docking methods' real-world utility, we introduce PoseBench, the first comprehensive benchmark for broadly applicable protein-ligand docking. PoseBench enables researchers to rigorously and systematically evaluate DL methods for apo-to-holo protein-ligand docking and protein-ligand structure prediction using both primary ligand and multi-ligand benchmark datasets, the latter of which we introduce for the first time to the DL community. Empirically, using PoseBench, we find that (1) DL co-folding methods generally outperform comparable conventional and DL docking baselines, yet popular methods such as AlphaFold 3 are still challenged by prediction targets with novel protein sequences; (2) certain DL co-folding methods are highly sensitive to their input multiple sequence alignments, while others are not; and (3) DL methods struggle to strike a balance between structural accuracy and chemical specificity when predicting novel or multi-ligand protein targets. Code, data, tutorials, and benchmark results are available at https://github.com/BioinfoMachineLearning/PoseBench.

Recently, significant progress has been made in protein-ligand docking, especially in modern deep learning methods, and some benchmarks were proposed, e.g., PoseBench, Plinder. However, these benchmarks suffer from less practical evaluation setups (e.g., blind docking, self docking), or heavy framework that involves training, raising challenges to assess docking methods efficiently. To fill this gap, we proposed PoseX, an open-source benchmark focusing on self-docking and cross-docking, to evaluate the algorithmic advances practically and comprehensively. Specifically, first, we curate a new evaluation dataset with 718 entries for self docking and 1,312 for cross docking; second, we incorporate 22 docking methods across three methodological categories, including (1) traditional physics-based methods (e.g., Schr\"odinger Glide), (2) AI docking methods (e.g., DiffDock), (3) AI co-folding methods (e.g., AlphaFold3); third, we design a relaxation method as post-processing to minimize conformation energy and refine binding pose; fourth, we released a leaderboard to rank submitted models in real time. We draw some key insights via extensive experiments: (1) AI-based approaches have already surpassed traditional physics-based approaches in overall docking accuracy (RMSD). The longstanding generalization issues that have plagued AI molecular docking have been significantly alleviated in the latest models. (2) The stereochemical deficiencies of AI-based approaches can be greatly alleviated with post-processing relaxation. Combining AI docking methods with the enhanced relaxation method achieves the best performance to date. (3) AI co-folding methods commonly face ligand chirality issues, which cannot be resolved by relaxation. The code, curated dataset and leaderboard are released at https://github.com/CataAI/PoseX.

Docking is a crucial component in drug discovery aimed at predicting the binding conformation and affinity between small molecules and target proteins. ML-based docking has recently emerged as a prominent approach, outpacing traditional methods like DOCK and AutoDock Vina in handling the growing scale and complexity of molecular libraries. However, the availability of comprehensive and user-friendly datasets for training and benchmarking ML-based docking algorithms remains limited. We introduce Smiles2Dock, an open large-scale multi-task dataset for molecular docking. We created a framework combining P2Rank and AutoDock Vina to dock 1.7 million ligands from the ChEMBL database against 15 AlphaFold proteins, giving us more than 25 million protein-ligand binding scores. The dataset leverages a wide range of high-accuracy AlphaFold protein models, encompasses a diverse set of biologically relevant compounds and enables researchers to benchmark all major approaches for ML-based docking such as Graph, Transformer and CNN-based methods. We also introduce a novel Transformer-based architecture for docking scores prediction and set it as an initial benchmark for our dataset. Our dataset and code are publicly available to support the development of novel ML-based methods for molecular docking to advance scientific research in this field.

Motivation: Ab initio protein docking represents a major challenge for optimizing a noisy and costly "black box"-like function in a high-dimensional space. Despite progress in this field, there is no docking method available for rigorous uncertainty quantification (UQ) of its solution quality (e.g. interface RMSD or iRMSD). Results: We introduce a novel algorithm, Bayesian Active Learning (BAL), for optimization and UQ of such black-box functions and flexible protein docking. BAL directly models the posterior distribution of the global optimum (or native structures for protein docking) with active sampling and posterior estimation iteratively feeding each other. Furthermore, we use complex normal modes to represent a homogeneous Euclidean conformation space suitable for high-dimension optimization and construct funnel-like energy models for encounter complexes. Over a protein docking benchmark set and a CAPRI set including homology docking, we establish that BAL significantly improve against both starting points by rigid docking and refinements by particle swarm optimization, providing for one third targets a top-3 near-native prediction. BAL also generates tight confidence intervals with half range around 25% of iRMSD and confidence level at 85%. Its estimated probability of a prediction being native or not achieves binary classification AUROC at 0.93 and AUPRC over 0.60 (compared to 0.14 by chance); and also found to help ranking predictions. To the best of our knowledge, this study represents the first uncertainty quantification solution for protein docking, with theoretical rigor and comprehensive assessment. Source codes are available at https://github.com/Shen-Lab/BAL.

The last few years have seen the development of numerous deep learning-based protein-ligand docking methods. They offer huge promise in terms of speed and accuracy. However, despite claims of state-of-the-art performance in terms of crystallographic root-mean-square deviation (RMSD), upon closer inspection, it has become apparent that they often produce physically implausible molecular structures. It is therefore not sufficient to evaluate these methods solely by RMSD to a native binding mode. It is vital, particularly for deep learning-based methods, that they are also evaluated on steric and energetic criteria. We present PoseBusters, a Python package that performs a series of standard quality checks using the well-established cheminformatics toolkit RDKit. Only methods that both pass these checks and predict native-like binding modes should be classed as having "state-of-the-art" performance. We use PoseBusters to compare five deep learning-based docking methods (DeepDock, DiffDock, EquiBind, TankBind, and Uni-Mol) and two well-established standard docking methods (AutoDock Vina and CCDC Gold) with and without an additional post-prediction energy minimisation step using a molecular mechanics force field. We show that both in terms of physical plausibility and the ability to generalise to examples that are distinct from the training data, no deep learning-based method yet outperforms classical docking tools. In addition, we find that molecular mechanics force fields contain docking-relevant physics missing from deep-learning methods. PoseBusters allows practitioners to assess docking and molecular generation methods and may inspire new inductive biases still required to improve deep learning-based methods, which will help drive the development of more accurate and more realistic predictions.

The regulation of various cellular processes heavily relies on the protein complexes within a living cell, necessitating a comprehensive understanding of their three-dimensional structures to elucidate the underlying mechanisms. While neural docking techniques have exhibited promising outcomes in binary protein docking, the application of advanced neural architectures to multimeric protein docking remains uncertain. This study introduces SyNDock, an automated framework that swiftly assembles precise multimeric complexes within seconds, showcasing performance that can potentially surpass or be on par with recent advanced approaches. SyNDock possesses several appealing advantages not present in previous approaches. Firstly, SyNDock formulates multimeric protein docking as a problem of learning global transformations to holistically depict the placement of chain units of a complex, enabling a learning-centric solution. Secondly, SyNDock proposes a trainable two-step SE(3) algorithm, involving initial pairwise transformation and confidence estimation, followed by global transformation synchronization. This enables effective learning for assembling the complex in a globally consistent manner. Lastly, extensive experiments conducted on our proposed benchmark dataset demonstrate that SyNDock outperforms existing docking software in crucial performance metrics, including accuracy and runtime. For instance, it achieves a 4.5% improvement in performance and a remarkable millionfold acceleration in speed.

Molecular docking is critical to structure-based virtual screening, yet the throughput of such workflows is limited by the expensive optimization of scoring functions involved in most docking algorithms. We explore how machine learning can accelerate this process by learning a scoring function with a functional form that allows for more rapid optimization. Specifically, we define the scoring function to be the cross-correlation of multi-channel ligand and protein scalar fields parameterized by equivariant graph neural networks, enabling rapid optimization over rigid-body degrees of freedom with fast Fourier transforms. The runtime of our approach can be amortized at several levels of abstraction, and is particularly favorable for virtual screening settings with a common binding pocket. We benchmark our scoring functions on two simplified docking-related tasks: decoy pose scoring and rigid conformer docking. Our method attains similar but faster performance on crystal structures compared to the widely-used Vina and Gnina scoring functions, and is more robust on computationally predicted structures. Code is available at https://github.com/bjing2016/scalar-fields.

Predicting the binding structure of a small molecule ligand to a protein -- a task known as molecular docking -- is critical to drug design. Recent deep learning methods that treat docking as a regression problem have decreased runtime compared to traditional search-based methods but have yet to offer substantial improvements in accuracy. We instead frame molecular docking as a generative modeling problem and develop DiffDock, a diffusion generative model over the non-Euclidean manifold of ligand poses. To do so, we map this manifold to the product space of the degrees of freedom (translational, rotational, and torsional) involved in docking and develop an efficient diffusion process on this space. Empirically, DiffDock obtains a 38% top-1 success rate (RMSD<2A) on PDBBind, significantly outperforming the previous state-of-the-art of traditional docking (23%) and deep learning (20%) methods. Moreover, while previous methods are not able to dock on computationally folded structures (maximum accuracy 10.4%), DiffDock maintains significantly higher precision (21.7%). Finally, DiffDock has fast inference times and provides confidence estimates with high selective accuracy.

Molecular docking is an important tool for structure-based drug design, accelerating the efficiency of drug development. Complex and dynamic binding processes between proteins and small molecules require searching and sampling over a wide spatial range. Traditional docking by searching for possible binding sites and conformations is computationally complex and results poorly under blind docking. Quantum-inspired algorithms combining quantum properties and annealing show great advantages in solving combinatorial optimization problems. Inspired by this, we achieve an improved in blind docking by using quantum-inspired combined with gradients learned by deep learning in the encoded molecular space. Numerical simulation shows that our method outperforms traditional docking algorithms and deep learning-based algorithms over 10\%. Compared to the current state-of-the-art deep learning-based docking algorithm DiffDock, the success rate of Top-1 (RMSD<2) achieves an improvement from 33\% to 35\% in our same setup. In particular, a 6\% improvement is realized in the high-precision region(RMSD<1) on molecules data unseen in DiffDock, which demonstrates the well-generalized of our method.

Accurate prediction of protein-ligand binding poses is crucial for structure-based drug design, yet existing methods struggle to balance speed, accuracy, and physical plausibility. We introduce Matcha, a novel molecular docking pipeline that combines multi-stage flow matching with learned scoring and physical validity filtering. Our approach consists of three sequential stages applied consecutively to refine docking predictions, each implemented as a flow matching model operating on appropriate geometric spaces (R^3, SO(3), and SO(2)). We enhance the prediction quality through a dedicated scoring model and apply unsupervised physical validity filters to eliminate unrealistic poses. Compared to various approaches, Matcha demonstrates superior performance on Astex and PDBbind test sets in terms of docking success rate and physical plausibility. Moreover, our method works approximately 25 times faster than modern large-scale co-folding models. The model weights and inference code to reproduce our results are available at https://github.com/LigandPro/Matcha.

Benchmarking multi-object tracking and object detection model performance is an essential step in machine learning model development, as it allows researchers to evaluate model detection and tracker performance on human-generated 'test' data, facilitating consistent comparisons between models and trackers and aiding performance optimization. In this study, a novel benchmark video dataset was developed and used to assess the performance of several Monterey Bay Aquarium Research Institute object detection models and a FathomNet single-class object detection model together with several trackers. The dataset consists of four video sequences representing midwater and benthic deep-sea habitats. Performance was evaluated using Higher Order Tracking Accuracy, a metric that balances detection, localization, and association accuracy. To the best of our knowledge, this is the first publicly available benchmark for multi-object tracking in deep-sea video footage. We provide the benchmark data, a clearly documented workflow for generating additional benchmark videos, as well as example Python notebooks for computing metrics.

Molecular docking is a key computational tool utilized to predict the binding conformations of small molecules to protein targets, which is fundamental in the design of novel drugs. Despite recent advancements in geometric deep learning-based approaches leading to improvements in blind docking efficiency, these methods have encountered notable challenges, such as limited generalization performance on unseen proteins, the inability to concurrently address the settings of blind docking and site-specific docking, and the frequent occurrence of physical implausibilities such as inter-molecular steric clash. In this study, we introduce DeltaDock, a robust and versatile framework designed for efficient molecular docking to overcome these challenges. DeltaDock operates in a two-step process: rapid initial complex structures sampling followed by multi-scale iterative refinement of the initial structures. In the initial stage, to sample accurate structures with high efficiency, we develop a ligand-dependent binding site prediction model founded on large protein models and graph neural networks. This model is then paired with GPU-accelerated sampling algorithms. The sampled structures are updated using a multi-scale iterative refinement module that captures both protein-ligand atom-atom interactions and residue-atom interactions in the following stage. Distinct from previous geometric deep learning methods that are conditioned on the blind docking setting, DeltaDock demonstrates superior performance in both blind docking and site-specific docking settings. Comprehensive experimental results reveal that DeltaDock consistently surpasses baseline methods in terms of docking accuracy. Furthermore, it displays remarkable generalization capabilities and proficiency for predicting physically valid structures, thereby attesting to its robustness and reliability in various scenarios.

Deep learning promises to dramatically improve scoring functions for molecular docking, leading to substantial advances in binding pose prediction and virtual screening. To train scoring functions-and to perform molecular docking-one must generate a set of candidate ligand binding poses. Unfortunately, the sampling protocols currently used to generate candidate poses frequently fail to produce any poses close to the correct, experimentally determined pose, unless information about the correct pose is provided. This limits the accuracy of learned scoring functions and molecular docking. Here, we describe two improved protocols for pose sampling: GLOW (auGmented sampLing with sOftened vdW potential) and a novel technique named IVES (IteratiVe Ensemble Sampling). Our benchmarking results demonstrate the effectiveness of our methods in improving the likelihood of sampling accurate poses, especially for binding pockets whose shape changes substantially when different ligands bind. This improvement is observed across both experimentally determined and AlphaFold-generated protein structures. Additionally, we present datasets of candidate ligand poses generated using our methods for each of around 5,000 protein-ligand cross-docking pairs, for training and testing scoring functions. To benefit the research community, we provide these cross-docking datasets and an open-source Python implementation of GLOW and IVES at https://github.com/drorlab/GLOW_IVES .

Spacecraft deployed in outer space are routinely subjected to various forms of damage due to exposure to hazardous environments. In addition, there are significant risks to the subsequent process of in-space repairs through human extravehicular activity or robotic manipulation, incurring substantial operational costs. Recent developments in image segmentation could enable the development of reliable and cost-effective autonomous inspection systems. While these models often require large amounts of training data to achieve satisfactory results, publicly available annotated spacecraft segmentation data are very scarce. Here, we present a new dataset of nearly 64k annotated spacecraft images that was created using real spacecraft models, superimposed on a mixture of real and synthetic backgrounds generated using NASA's TTALOS pipeline. To mimic camera distortions and noise in real-world image acquisition, we also added different types of noise and distortion to the images. Finally, we finetuned YOLOv8 and YOLOv11 segmentation models to generate performance benchmarks for the dataset under well-defined hardware and inference time constraints to mimic real-world image segmentation challenges for real-time onboard applications in space on NASA's inspector spacecraft. The resulting models, when tested under these constraints, achieved a Dice score of 0.92, Hausdorff distance of 0.69, and an inference time of about 0.5 second. The dataset and models for performance benchmark are available at https://github.com/RiceD2KLab/SWiM.

Computational catalysis is playing an increasingly significant role in the design of catalysts across a wide range of applications. A common task for many computational methods is the need to accurately compute the minimum binding energy - the adsorption energy - for an adsorbate and a catalyst surface of interest. Traditionally, the identification of low energy adsorbate-surface configurations relies on heuristic methods and researcher intuition. As the desire to perform high-throughput screening increases, it becomes challenging to use heuristics and intuition alone. In this paper, we demonstrate machine learning potentials can be leveraged to identify low energy adsorbate-surface configurations more accurately and efficiently. Our algorithm provides a spectrum of trade-offs between accuracy and efficiency, with one balanced option finding the lowest energy configuration, within a 0.1 eV threshold, 86.33% of the time, while achieving a 1331x speedup in computation. To standardize benchmarking, we introduce the Open Catalyst Dense dataset containing nearly 1,000 diverse surfaces and 85,658 unique configurations.

Rigorous performance evaluation is essential for developing robust algorithms for high-throughput computational chemistry. Traditional benchmarking, however, often struggles to account for system-specific variability, making it difficult to form actionable conclusions. We present a Bayesian hierarchical modeling framework that rigorously quantifies performance metrics and their uncertainty, enabling a nuanced comparison of algorithmic strategies. We apply this framework to analyze the Dimer method, comparing Conjugate Gradient (CG) and L-BFGS rotation optimizers, with and without the removal of external rotations, across a benchmark of 500 molecular systems. Our analysis confirms that CG offers higher overall robustness than L-BFGS in this context. While the theoretically-motivated removal of external rotations led to higher computational cost (>40% more energy and force calls) for most systems in this set, our models also reveal a subtle interplay, hinting that this feature may improve the reliability of the L-BFGS optimizer. Rather than identifying a single superior method, our findings support the design of adaptive "chain of methods" workflows. This work showcases how a robust statistical paradigm can move beyond simple performance rankings to inform the intelligent, context-dependent application of computational chemistry methods.

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we present DiscoveryBench, the first comprehensive benchmark that formalizes the multi-step process of data-driven discovery. The benchmark is designed to systematically assess current model capabilities in discovery tasks and provide a useful resource for improving them. Our benchmark contains 264 tasks collected across 6 diverse domains, such as sociology and engineering, by manually deriving discovery workflows from published papers to approximate the real-world challenges faced by researchers, where each task is defined by a dataset, its metadata, and a discovery goal in natural language. We additionally provide 903 synthetic tasks to conduct controlled evaluations across task complexity. Furthermore, our structured formalism of data-driven discovery enables a facet-based evaluation that provides useful insights into different failure modes. We evaluate several popular LLM-based reasoning frameworks using both open and closed LLMs as baselines on DiscoveryBench and find that even the best system scores only 25%. Our benchmark, thus, illustrates the challenges in autonomous data-driven discovery and serves as a valuable resource for the community to make progress.

Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this challenge, with sampling-based and regression-based methods emerging as two prominent approaches. However, these methods have notable limitations. Sampling-based methods often suffer from low efficiency due to the need for generating multiple candidate structures for selection. On the other hand, regression-based methods offer fast predictions but may experience decreased accuracy. Additionally, the variation in protein sizes often requires external modules for selecting suitable binding pockets, further impacting efficiency. In this work, we propose FABind, an end-to-end model that combines pocket prediction and docking to achieve accurate and fast protein-ligand binding. FABind incorporates a unique ligand-informed pocket prediction module, which is also leveraged for docking pose estimation. The model further enhances the docking process by incrementally integrating the predicted pocket to optimize protein-ligand binding, reducing discrepancies between training and inference. Through extensive experiments on benchmark datasets, our proposed FABind demonstrates strong advantages in terms of effectiveness and efficiency compared to existing methods. Our code is available at https://github.com/QizhiPei/FABind

Structure-Based molecule optimization (SBMO) aims to optimize molecules with both continuous coordinates and discrete types against protein targets. A promising direction is to exert gradient guidance on generative models given its remarkable success in images, but it is challenging to guide discrete data and risks inconsistencies between modalities. To this end, we leverage a continuous and differentiable space derived through Bayesian inference, presenting Molecule Joint Optimization (MolJO), the gradient-based SBMO framework that facilitates joint guidance signals across different modalities while preserving SE(3)-equivariance. We introduce a novel backward correction strategy that optimizes within a sliding window of the past histories, allowing for a seamless trade-off between explore-and-exploit during optimization. MolJO achieves state-of-the-art performance on CrossDocked2020 benchmark (Success Rate 51.3%, Vina Dock -9.05 and SA 0.78), more than 4x improvement in Success Rate compared to the gradient-based counterpart, and 2x "Me-Better" Ratio as much as 3D baselines. Furthermore, we extend MolJO to a wide range of optimization settings, including multi-objective optimization and challenging tasks in drug design such as R-group optimization and scaffold hopping, further underscoring its versatility. Code is available at https://github.com/AlgoMole/MolCRAFT.

Benchmark quality is critical for meaningful evaluation and sustained progress in time series forecasting, particularly given the recent rise of pretrained models. Existing benchmarks often have narrow domain coverage or overlook important real-world settings, such as tasks with covariates. Additionally, their aggregation procedures often lack statistical rigor, making it unclear whether observed performance differences reflect true improvements or random variation. Many benchmarks also fail to provide infrastructure for consistent evaluation or are too rigid to integrate into existing pipelines. To address these gaps, we propose fev-bench, a benchmark comprising 100 forecasting tasks across seven domains, including 46 tasks with covariates. Supporting the benchmark, we introduce fev, a lightweight Python library for benchmarking forecasting models that emphasizes reproducibility and seamless integration with existing workflows. Usingfev, fev-bench employs principled aggregation methods with bootstrapped confidence intervals to report model performance along two complementary dimensions: win rates and skill scores. We report results on fev-bench for various pretrained, statistical and baseline models, and identify promising directions for future research.

The issue-resolving task, where a model generates patches to fix real-world bugs, has emerged as a critical benchmark for evaluating the capabilities of large language models (LLMs). While SWE-bench and its variants have become standard in this domain, they suffer from key limitations: they have not been updated since their initial releases, cover a narrow set of repositories, and depend heavily on manual effort for instance construction and environment setup. These factors hinder scalability and introduce risks of overfitting and data contamination. In this work, we present SWE-bench-Live, a live-updatable benchmark designed to overcome these challenges. Our initial release consists of 1,319 tasks derived from real GitHub issues created since 2024, spanning 93 repositories. Each task is accompanied by a dedicated Docker image to ensure reproducible execution. Central to our benchmark is \method, an automated curation pipeline that streamlines the entire process from instance creation to environment setup, removing manual bottlenecks and enabling scalability and continuous updates. We evaluate a range of state-of-the-art agent frameworks and LLMs on SWE-bench-Live, revealing a substantial performance gap compared to static benchmarks like SWE-bench, even under controlled evaluation conditions. To better understand this discrepancy, we perform detailed analyses across repository origin, issue recency, and task difficulty. By providing a fresh, diverse, and executable benchmark grounded in live repository activity, SWE-bench-Live facilitates rigorous, contamination-resistant evaluation of LLMs and agents in dynamic, real-world software development settings.

Large language models (LLMs) are powerful tools capable of handling diverse tasks. Comparing and selecting appropriate LLMs for specific tasks requires systematic evaluation methods, as models exhibit varying capabilities across different domains. However, finding suitable benchmarks is difficult given the many available options. This complexity not only increases the risk of benchmark misuse and misinterpretation but also demands substantial effort from LLM users, seeking the most suitable benchmarks for their specific needs. To address these issues, we introduce BenchmarkCards, an intuitive and validated documentation framework that standardizes critical benchmark attributes such as objectives, methodologies, data sources, and limitations. Through user studies involving benchmark creators and users, we show that BenchmarkCards can simplify benchmark selection and enhance transparency, facilitating informed decision-making in evaluating LLMs. Data & Code: https://github.com/SokolAnn/BenchmarkCards

Benchmarks are essential for consistent evaluation and reproducibility. The integration of Artificial Intelligence into Software Engineering (AI4SE) has given rise to numerous benchmarks for tasks such as code generation and bug fixing. However, this surge presents challenges: (1) scattered benchmark knowledge across tasks, (2) difficulty in selecting relevant benchmarks, (3) the absence of a uniform standard for benchmark development, and (4) limitations of existing benchmarks. In this paper, we review 173 studies and identify 204 AI4SE benchmarks. We classify these benchmarks, analyze their limitations, and expose gaps in practices. Based on our review, we created BenchScout, a semantic search tool to find relevant benchmarks, using automated clustering of the contexts from associated studies. We conducted a user study with 22 participants to evaluate BenchScout's usability, effectiveness, and intuitiveness which resulted in average scores of 4.5, 4.0, and 4.1 out of 5. To advance benchmarking standards, we propose BenchFrame, a unified method to enhance benchmark quality. As a case study, we applied BenchFrame to the HumanEval benchmark and addressed its main limitations. This led to HumanEvalNext, featuring (1) corrected errors, (2) improved language conversion, (3) expanded test coverage, and (4) increased difficulty. We then evaluated ten state-of-the-art code language models on HumanEval, HumanEvalPlus, and HumanEvalNext. On HumanEvalNext, models showed a pass@1 score reduction of 31.22% and 19.94% compared to HumanEval and HumanEvalPlus, respectively.

The efficient exploration of chemical space to design molecules with intended properties enables the accelerated discovery of drugs, materials, and catalysts, and is one of the most important outstanding challenges in chemistry. Encouraged by the recent surge in computer power and artificial intelligence development, many algorithms have been developed to tackle this problem. However, despite the emergence of many new approaches in recent years, comparatively little progress has been made in developing realistic benchmarks that reflect the complexity of molecular design for real-world applications. In this work, we develop a set of practical benchmark tasks relying on physical simulation of molecular systems mimicking real-life molecular design problems for materials, drugs, and chemical reactions. Additionally, we demonstrate the utility and ease of use of our new benchmark set by demonstrating how to compare the performance of several well-established families of algorithms. Surprisingly, we find that model performance can strongly depend on the benchmark domain. We believe that our benchmark suite will help move the field towards more realistic molecular design benchmarks, and move the development of inverse molecular design algorithms closer to designing molecules that solve existing problems in both academia and industry alike.

This paper introduces the human-curated PandasPlotBench dataset, designed to evaluate language models' effectiveness as assistants in visual data exploration. Our benchmark focuses on generating code for visualizing tabular data - such as a Pandas DataFrame - based on natural language instructions, complementing current evaluation tools and expanding their scope. The dataset includes 175 unique tasks. Our experiments assess several leading Large Language Models (LLMs) across three visualization libraries: Matplotlib, Seaborn, and Plotly. We show that the shortening of tasks has a minimal effect on plotting capabilities, allowing for the user interface that accommodates concise user input without sacrificing functionality or accuracy. Another of our findings reveals that while LLMs perform well with popular libraries like Matplotlib and Seaborn, challenges persist with Plotly, highlighting areas for improvement. We hope that the modular design of our benchmark will broaden the current studies on generating visualizations. Our benchmark is available online: https://huggingface.co/datasets/JetBrains-Research/plot_bench. The code for running the benchmark is also available: https://github.com/JetBrains-Research/PandasPlotBench.

The study of rigid protein-protein docking plays an essential role in a variety of tasks such as drug design and protein engineering. Recently, several learning-based methods have been proposed for the task, exhibiting much faster docking speed than those computational methods. In this paper, we propose a novel learning-based method called ElliDock, which predicts an elliptic paraboloid to represent the protein-protein docking interface. To be specific, our model estimates elliptic paraboloid interfaces for the two input proteins respectively, and obtains the roto-translation transformation for docking by making two interfaces coincide. By its design, ElliDock is independently equivariant with respect to arbitrary rotations/translations of the proteins, which is an indispensable property to ensure the generalization of the docking process. Experimental evaluations show that ElliDock achieves the fastest inference time among all compared methods and is strongly competitive with current state-of-the-art learning-based models such as DiffDock-PP and Multimer particularly for antibody-antigen docking.

We present a new reproducible benchmark for evaluating robot manipulation in the real world, specifically focusing on pick-and-place. Our benchmark uses the YCB objects, a commonly used dataset in the robotics community, to ensure that our results are comparable to other studies. Additionally, the benchmark is designed to be easily reproducible in the real world, making it accessible to researchers and practitioners. We also provide our experimental results and analyzes for model-based and model-free 6D robotic grasping on the benchmark, where representative algorithms are evaluated for object perception, grasping planning, and motion planning. We believe that our benchmark will be a valuable tool for advancing the field of robot manipulation. By providing a standardized evaluation framework, researchers can more easily compare different techniques and algorithms, leading to faster progress in developing robot manipulation methods.

Mobile robots are increasingly deployed in unstructured environments where obstacles and objects are movable. Navigation in such environments is known as interactive navigation, where task completion requires not only avoiding obstacles but also strategic interactions with movable objects. Non-prehensile interactive navigation focuses on non-grasping interaction strategies, such as pushing, rather than relying on prehensile manipulation. Despite a growing body of research in this field, most solutions are evaluated using case-specific setups, limiting reproducibility and cross-comparison. In this paper, we present Bench-NPIN, the first comprehensive benchmark for non-prehensile interactive navigation. Bench-NPIN includes multiple components: 1) a comprehensive range of simulated environments for non-prehensile interactive navigation tasks, including navigating a maze with movable obstacles, autonomous ship navigation in icy waters, box delivery, and area clearing, each with varying levels of complexity; 2) a set of evaluation metrics that capture unique aspects of interactive navigation, such as efficiency, interaction effort, and partial task completion; and 3) demonstrations using Bench-NPIN to evaluate example implementations of established baselines across environments. Bench-NPIN is an open-source Python library with a modular design. The code, documentation, and trained models can be found at https://github.com/IvanIZ/BenchNPIN.

De novo design seeks to generate molecules with required property profiles by virtual design-make-test cycles. With the emergence of deep learning and neural generative models in many application areas, models for molecular design based on neural networks appeared recently and show promising results. However, the new models have not been profiled on consistent tasks, and comparative studies to well-established algorithms have only seldom been performed. To standardize the assessment of both classical and neural models for de novo molecular design, we propose an evaluation framework, GuacaMol, based on a suite of standardized benchmarks. The benchmark tasks encompass measuring the fidelity of the models to reproduce the property distribution of the training sets, the ability to generate novel molecules, the exploration and exploitation of chemical space, and a variety of single and multi-objective optimization tasks. The benchmarking open-source Python code, and a leaderboard can be found on https://benevolent.ai/guacamol

This paper introduces Amazon Robotic Manipulation Benchmark (ARMBench), a large-scale, object-centric benchmark dataset for robotic manipulation in the context of a warehouse. Automation of operations in modern warehouses requires a robotic manipulator to deal with a wide variety of objects, unstructured storage, and dynamically changing inventory. Such settings pose challenges in perceiving the identity, physical characteristics, and state of objects during manipulation. Existing datasets for robotic manipulation consider a limited set of objects or utilize 3D models to generate synthetic scenes with limitation in capturing the variety of object properties, clutter, and interactions. We present a large-scale dataset collected in an Amazon warehouse using a robotic manipulator performing object singulation from containers with heterogeneous contents. ARMBench contains images, videos, and metadata that corresponds to 235K+ pick-and-place activities on 190K+ unique objects. The data is captured at different stages of manipulation, i.e., pre-pick, during transfer, and after placement. Benchmark tasks are proposed by virtue of high-quality annotations and baseline performance evaluation are presented on three visual perception challenges, namely 1) object segmentation in clutter, 2) object identification, and 3) defect detection. ARMBench can be accessed at http://armbench.com

Hyperparameter Optimization (HPO) is crucial to develop well-performing machine learning models. In order to ease prototyping and benchmarking of HPO methods, we propose carps, a benchmark framework for Comprehensive Automated Research Performance Studies allowing to evaluate N optimizers on M benchmark tasks. In this first release of carps, we focus on the four most important types of HPO task types: blackbox, multi-fidelity, multi-objective and multi-fidelity-multi-objective. With 3 336 tasks from 5 community benchmark collections and 28 variants of 9 optimizer families, we offer the biggest go-to library to date to evaluate and compare HPO methods. The carps framework relies on a purpose-built, lightweight interface, gluing together optimizers and benchmark tasks. It also features an analysis pipeline, facilitating the evaluation of optimizers on benchmarks. However, navigating a huge number of tasks while developing and comparing methods can be computationally infeasible. To address this, we obtain a subset of representative tasks by minimizing the star discrepancy of the subset, in the space spanned by the full set. As a result, we propose an initial subset of 10 to 30 diverse tasks for each task type, and include functionality to re-compute subsets as more benchmarks become available, enabling efficient evaluations. We also establish a first set of baseline results on these tasks as a measure for future comparisons. With carps (https://www.github.com/automl/CARP-S), we make an important step in the standardization of HPO evaluation.

High-quality benchmarks are the foundation for embodied AI research, enabling significant advancements in long-horizon navigation, manipulation and rearrangement tasks. However, as frontier tasks in robotics get more advanced, they require faster simulation speed, more intricate test environments, and larger demonstration datasets. To this end, we present MS-HAB, a holistic benchmark for low-level manipulation and in-home object rearrangement. First, we provide a GPU-accelerated implementation of the Home Assistant Benchmark (HAB). We support realistic low-level control and achieve over 3x the speed of previous magical grasp implementations at similar GPU memory usage. Second, we train extensive reinforcement learning (RL) and imitation learning (IL) baselines for future work to compare against. Finally, we develop a rule-based trajectory filtering system to sample specific demonstrations from our RL policies which match predefined criteria for robot behavior and safety. Combining demonstration filtering with our fast environments enables efficient, controlled data generation at scale.

Motivation: The development of novel compounds targeting proteins of interest is one of the most important tasks in the pharmaceutical industry. Deep generative models have been applied to targeted molecular design and have shown promising results. Recently, target-specific molecule generation has been viewed as a translation between the protein language and the chemical language. However, such a model is limited by the availability of interacting protein-ligand pairs. On the other hand, large amounts of unlabeled protein sequences and chemical compounds are available and have been used to train language models that learn useful representations. In this study, we propose exploiting pretrained biochemical language models to initialize (i.e. warm start) targeted molecule generation models. We investigate two warm start strategies: (i) a one-stage strategy where the initialized model is trained on targeted molecule generation (ii) a two-stage strategy containing a pre-finetuning on molecular generation followed by target specific training. We also compare two decoding strategies to generate compounds: beam search and sampling. Results: The results show that the warm-started models perform better than a baseline model trained from scratch. The two proposed warm-start strategies achieve similar results to each other with respect to widely used metrics from benchmarks. However, docking evaluation of the generated compounds for a number of novel proteins suggests that the one-stage strategy generalizes better than the two-stage strategy. Additionally, we observe that beam search outperforms sampling in both docking evaluation and benchmark metrics for assessing compound quality. Availability and implementation: The source code is available at https://github.com/boun-tabi/biochemical-lms-for-drug-design and the materials are archived in Zenodo at https://doi.org/10.5281/zenodo.6832145

In Machine Learning, a benchmark refers to an ensemble of datasets associated with one or multiple metrics together with a way to aggregate different systems performances. They are instrumental in (i) assessing the progress of new methods along different axes and (ii) selecting the best systems for practical use. This is particularly the case for NLP with the development of large pre-trained models (e.g. GPT, BERT) that are expected to generalize well on a variety of tasks. While the community mainly focused on developing new datasets and metrics, there has been little interest in the aggregation procedure, which is often reduced to a simple average over various performance measures. However, this procedure can be problematic when the metrics are on a different scale, which may lead to spurious conclusions. This paper proposes a new procedure to rank systems based on their performance across different tasks. Motivated by the social choice theory, the final system ordering is obtained through aggregating the rankings induced by each task and is theoretically grounded. We conduct extensive numerical experiments (on over 270k scores) to assess the soundness of our approach both on synthetic and real scores (e.g. GLUE, EXTREM, SEVAL, TAC, FLICKR). In particular, we show that our method yields different conclusions on state-of-the-art systems than the mean-aggregation procedure while being both more reliable and robust.

Large pre-trained language models have shown promise for few-shot learning, completing text-based tasks given only a few task-specific examples. Will models soon solve classification tasks that have so far been reserved for human research assistants? Existing benchmarks are not designed to measure progress in applied settings, and so don't directly answer this question. The RAFT benchmark (Real-world Annotated Few-shot Tasks) focuses on naturally occurring tasks and uses an evaluation setup that mirrors deployment. Baseline evaluations on RAFT reveal areas current techniques struggle with: reasoning over long texts and tasks with many classes. Human baselines show that some classification tasks are difficult for non-expert humans, reflecting that real-world value sometimes depends on domain expertise. Yet even non-expert human baseline F1 scores exceed GPT-3 by an average of 0.11. The RAFT datasets and leaderboard will track which model improvements translate into real-world benefits at https://raft.elicit.org .

Open-source benchmark datasets have been a critical component for advancing machine learning for robot perception in terrestrial applications. Benchmark datasets enable the widespread development of state-of-the-art machine learning methods, which require large datasets for training, validation, and thorough comparison to competing approaches. Underwater environments impose several operational challenges that hinder efforts to collect large benchmark datasets for marine robot perception. Furthermore, a low abundance of targets of interest relative to the size of the search space leads to increased time and cost required to collect useful datasets for a specific task. As a result, there is limited availability of labeled benchmark datasets for underwater applications. We present the AI4Shipwrecks dataset, which consists of 24 distinct shipwreck sites totaling 286 high-resolution labeled side scan sonar images to advance the state-of-the-art in autonomous sonar image understanding. We leverage the unique abundance of targets in Thunder Bay National Marine Sanctuary in Lake Huron, MI, to collect and compile a sonar imagery benchmark dataset through surveys with an autonomous underwater vehicle (AUV). We consulted with expert marine archaeologists for the labeling of robotically gathered data. We then leverage this dataset to perform benchmark experiments for comparison of state-of-the-art supervised segmentation methods, and we present insights on opportunities and open challenges for the field. The dataset and benchmarking tools will be released as an open-source benchmark dataset to spur innovation in machine learning for Great Lakes and ocean exploration. The dataset and accompanying software are available at https://umfieldrobotics.github.io/ai4shipwrecks/.

We introduce a benchmark to evaluate the capability of AI to solve problems in theoretical physics, focusing on high-energy theory and cosmology. The first iteration of our benchmark consists of 57 problems of varying difficulty, from undergraduate to research level. These problems are novel in the sense that they do not come from public problem collections. We evaluate our data set on various open and closed language models, including o3-mini, o1, DeepSeek-R1, GPT-4o and versions of Llama and Qwen. While we find impressive progress in model performance with the most recent models, our research-level difficulty problems are mostly unsolved. We address challenges of auto-verifiability and grading, and discuss common failure modes. While currently state-of-the art models are still of limited use for researchers, our results show that AI assisted theoretical physics research may become possible in the near future. We discuss the main obstacles towards this goal and possible strategies to overcome them. The public problems and solutions, results for various models, and updates to the data set and score distribution, are available on the website of the dataset tpbench.org.

Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experimental and theoretical approaches that require careful benchmarking. Leaderboard efforts have been developed previously to mitigate these issues. However, a comprehensive comparison and benchmarking on an integrated platform with multiple data modalities with both perfect and defect materials data is still lacking. This work introduces JARVIS-Leaderboard, an open-source and community-driven platform that facilitates benchmarking and enhances reproducibility. The platform allows users to set up benchmarks with custom tasks and enables contributions in the form of dataset, code, and meta-data submissions. We cover the following materials design categories: Artificial Intelligence (AI), Electronic Structure (ES), Force-fields (FF), Quantum Computation (QC) and Experiments (EXP). For AI, we cover several types of input data, including atomic structures, atomistic images, spectra, and text. For ES, we consider multiple ES approaches, software packages, pseudopotentials, materials, and properties, comparing results to experiment. For FF, we compare multiple approaches for material property predictions. For QC, we benchmark Hamiltonian simulations using various quantum algorithms and circuits. Finally, for experiments, we use the inter-laboratory approach to establish benchmarks. There are 1281 contributions to 274 benchmarks using 152 methods with more than 8 million data-points, and the leaderboard is continuously expanding. The JARVIS-Leaderboard is available at the website: https://pages.nist.gov/jarvis_leaderboard

This study presents a novel benchmark for evaluating Large Language Models (LLMs) using challenges derived from the Financial Modeling World Cup (FMWC) Excel competitions. We introduce a methodology for converting 113 existing FMWC challenges into programmatically evaluable JSON formats and use this dataset to compare the performance of several leading LLMs. Our findings demonstrate significant variations in performance across different challenge categories, with models showing specific strengths in pattern recognition tasks but struggling with complex numerical reasoning. The benchmark provides a standardized framework for assessing LLM capabilities in realistic business-oriented tasks rather than abstract academic problems. This research contributes to the growing field of AI benchmarking by establishing proficiency among the 1.5 billion people who daily use Microsoft Excel as a meaningful evaluation metric that bridges the gap between academic AI benchmarks and practical business applications.

Identifying drug-target interactions is essential for developing effective therapeutics. Binding affinity quantifies these interactions, and traditional approaches rely on computationally intensive 3D structural data. In contrast, language models can efficiently process sequential data, offering an alternative approach to molecular representation. In the current study, we introduce BAPULM, an innovative sequence-based framework that leverages the chemical latent representations of proteins via ProtT5-XL-U50 and ligands through MolFormer, eliminating reliance on complex 3D configurations. Our approach was validated extensively on benchmark datasets, achieving scoring power (R) values of 0.925 pm 0.043, 0.914 pm 0.004, and 0.8132 pm 0.001 on benchmark1k2101, Test2016_290, and CSAR-HiQ_36, respectively. These findings indicate the robustness and accuracy of BAPULM across diverse datasets and underscore the potential of sequence-based models in-silico drug discovery, offering a scalable alternative to 3D-centric methods for screening potential ligands.

Deep-Research agents, which integrate large language models (LLMs) with search tools, have shown success in improving the effectiveness of handling complex queries that require iterative search planning and reasoning over search results. Evaluations on current benchmarks like BrowseComp relies on black-box live web search APIs, have notable limitations in (1) fairness: dynamic and opaque web APIs hinder fair comparisons and reproducibility of deep research methods; (2) transparency: lack of control over the document corpus makes it difficult to isolate retriever contributions. In other words, the current evaluations may compare a complete deep research system at a given time, but they do not foster well-controlled experiments to provide insights into the capability of underlying deep research LLMs. To address these challenges, we introduce BrowseComp-Plus, a benchmark derived from BrowseComp, employing a fixed, carefully curated corpus. Each query in BrowseComp-Plus includes human-verified supporting documents and mined challenging negatives, enabling controlled experimentation. The benchmark is shown to be effective in distinguishing the performance of deep research systems. For instance, the open-source model Search-R1, when paired with the BM25 retriever, achieves 3.86% accuracy, whereas the GPT-5 achieves 55.9%. Integrating the GPT-5 with the Qwen3-Embedding-8B retriever further enhances its accuracy to 70.1% with fewer search calls. This benchmark allows comprehensive evaluation and disentangled analysis of deep research agents and retrieval methods, fostering insights into retrieval effectiveness, citation accuracy, and context engineering in Deep-Research system.

Time series captioning, the task of describing numeric time series in natural language, requires numerical reasoning, trend interpretation, and contextual understanding. Existing benchmarks, however, often rely on synthetic data or overly simplistic captions, and typically neglect metadata and visual representations. To close this gap, we introduce CaTS-Bench, the first large-scale, real-world benchmark for Context-aware Time Series captioning. CaTS-Bench is derived from 11 diverse datasets reframed as captioning and Q&A tasks, comprising roughly 465k training and 105k test timestamps. Each sample includes a numeric series segment, contextual metadata, a line-chart image, and a caption. A key contribution of this work is the scalable pipeline used to generate reference captions: while most references are produced by an oracle LLM and verified through factual checks, human indistinguishability studies, and diversity analyses, we also provide a human-revisited subset of 579 test captions, refined from LLM outputs to ensure accuracy and human-like style. Beyond captioning, CaTS-Bench offers 460 multiple-choice questions targeting deeper aspects of time series reasoning. We further propose new tailored evaluation metrics and benchmark leading VLMs, highlighting both their strengths and persistent limitations. Together, these contributions establish CaTS-Bench and its captioning pipeline as a reliable and extensible foundation for future research at the intersection of time series analysis and foundation models.

Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum chemistry datasets focus on chemical properties and atomic forces, the ability to achieve accurate and efficient prediction of the Hamiltonian matrix is highly desired, as it is the most important and fundamental physical quantity that determines the quantum states of physical systems and chemical properties. In this work, we generate a new Quantum Hamiltonian dataset, named as QH9, to provide precise Hamiltonian matrices for 999 or 2998 molecular dynamics trajectories and 130,831 stable molecular geometries, based on the QM9 dataset. By designing benchmark tasks with various molecules, we show that current machine learning models have the capacity to predict Hamiltonian matrices for arbitrary molecules. Both the QH9 dataset and the baseline models are provided to the community through an open-source benchmark, which can be highly valuable for developing machine learning methods and accelerating molecular and materials design for scientific and technological applications. Our benchmark is publicly available at https://github.com/divelab/AIRS/tree/main/OpenDFT/QHBench.

Software testing is a critical aspect of software development, yet generating test cases remains a routine task for engineers. This paper presents a benchmark, CLOVER, to evaluate models' capabilities in generating and completing test cases under specific conditions. Spanning from simple assertion completions to writing test cases that cover specific code blocks across multiple files, these tasks are based on 12 python repositories, analyzing 845 problems with context lengths ranging from 4k to 128k tokens. Utilizing code testing frameworks, we propose a method to construct retrieval contexts using coverage information. While models exhibit comparable performance with short contexts, notable differences emerge with 16k contexts. Notably, models like GPT-4o and Claude 3.5 can effectively leverage relevant snippets; however, all models score below 35\% on the complex Task III, even with the oracle context provided, underscoring the benchmark's significance and the potential for model improvement. The benchmark is containerized for code execution across tasks, and we will release the code, data, and construction methodologies.

Recent advancements in Language Models (LMs) have catalyzed the creation of multiple benchmarks, designed to assess these models' general capabilities. A crucial task, however, is assessing the validity of the benchmarks themselves. This is most commonly done via Benchmark Agreement Testing (BAT), where new benchmarks are validated against established ones using some agreement metric (e.g., rank correlation). Despite the crucial role of BAT for benchmark builders and consumers, there are no standardized procedures for such agreement testing. This deficiency can lead to invalid conclusions, fostering mistrust in benchmarks and upending the ability to properly choose the appropriate benchmark to use. By analyzing over 40 prominent benchmarks, we demonstrate how some overlooked methodological choices can significantly influence BAT results, potentially undermining the validity of conclusions. To address these inconsistencies, we propose a set of best practices for BAT and demonstrate how utilizing these methodologies greatly improves BAT robustness and validity. To foster adoption and facilitate future research,, we introduce BenchBench, a python package for BAT, and release the BenchBench-leaderboard, a meta-benchmark designed to evaluate benchmarks using their peers. Our findings underscore the necessity for standardized BAT, ensuring the robustness and validity of benchmark evaluations in the evolving landscape of language model research. BenchBench Package: https://github.com/IBM/BenchBench Leaderboard: https://huggingface.co/spaces/per/BenchBench

Extensive research has been conducted to explore the capabilities of large language models (LLMs) in table reasoning. However, the essential task of transforming tables information into reports remains a significant challenge for industrial applications. This task is plagued by two critical issues: 1) the complexity and diversity of tables lead to suboptimal reasoning outcomes; and 2) existing table benchmarks lack the capacity to adequately assess the practical application of this task. To fill this gap, we propose the table-to-report task and construct a bilingual benchmark named T2R-bench, where the key information flow from the tables to the reports for this task. The benchmark comprises 457 industrial tables, all derived from real-world scenarios and encompassing 19 industry domains as well as 4 types of industrial tables. Furthermore, we propose an evaluation criteria to fairly measure the quality of report generation. The experiments on 25 widely-used LLMs reveal that even state-of-the-art models like Deepseek-R1 only achieves performance with 62.71 overall score, indicating that LLMs still have room for improvement on T2R-bench. Source code and data will be available after acceptance.

The motif-scaffolding problem is a central task in computational protein design: Given the coordinates of atoms in a geometry chosen to confer a desired biochemical function (a motif), the task is to identify diverse protein structures (scaffolds) that include the motif and maintain its geometry. Significant recent progress on motif-scaffolding has been made due to computational evaluation with reliable protein structure prediction and fixed-backbone sequence design methods. However, significant variability in evaluation strategies across publications has hindered comparability of results, challenged reproducibility, and impeded robust progress. In response we introduce MotifBench, comprising (1) a precisely specified pipeline and evaluation metrics, (2) a collection of 30 benchmark problems, and (3) an implementation of this benchmark and leaderboard at github.com/blt2114/MotifBench. The MotifBench test cases are more difficult compared to earlier benchmarks, and include protein design problems for which solutions are known but on which, to the best of our knowledge, state-of-the-art methods fail to identify any solution.

Because large language models are expensive to pretrain on different datasets, using smaller-scale experiments to decide on data is crucial for reducing costs. Which benchmarks and methods of making decisions from observed performance at small scale most accurately predict the datasets that yield the best large models? To empower open exploration of this question, we release models, data, and evaluations in DataDecide -- the most extensive open suite of models over differences in data and scale. We conduct controlled pretraining experiments across 25 corpora with differing sources, deduplication, and filtering up to 100B tokens, model sizes up to 1B parameters, and 3 random seeds. We find that the ranking of models at a single, small size (e.g., 150M parameters) is a strong baseline for predicting best models at our larger target scale (1B) (~80% of com parisons correct). No scaling law methods among 8 baselines exceed the compute-decision frontier of single-scale predictions, but DataDecide can measure improvement in future scaling laws. We also identify that using continuous likelihood metrics as proxies in small experiments makes benchmarks including MMLU, ARC, HellaSwag, MBPP, and HumanEval >80% predictable at the target 1B scale with just 0.01% of the compute.

We introduce MSC-Bench, a large-scale benchmark for evaluating multi-hop, end-to-end tool orchestration by LLM agents in a hierarchical Model-Context Protocol (MCP) ecosystem. Existing benchmarks often evaluate tools in isolation, ignoring challenges such as functional overlap and cross-server orchestration, leading to overly optimistic assessments. MSC-Bench addresses these gaps by constructing ground truth through 'equal function sets', allowing objective metrics such as F1 score and reducing the dependency on LLM-as-a-judge evaluation. Organized as a five-level curriculum, it systematically tests agent capabilities from single-tool orchestration to complex cross-server planning, and robustness to out-of-scope requests. Experiments reveal that rigid hierarchies can hinder performance without co-designed strategies, and even state-of-the-art agents exhibit systemic weaknesses in robustness. MSC-Bench provides a diagnostic framework to expose these limitations and guide the development of more capable and efficient tool-using agents. The benchmark and resources are publicly available at https://github.com/snooow1029/MSC_Bench.

The ViDoRe Benchmark V1 was approaching saturation with top models exceeding 90% nDCG@5, limiting its ability to discern improvements. ViDoRe Benchmark V2 introduces realistic, challenging retrieval scenarios via blind contextual querying, long and cross-document queries, and a hybrid synthetic and human-in-the-loop query generation process. It comprises four diverse, multilingual datasets and provides clear evaluation instructions. Initial results demonstrate substantial room for advancement and highlight insights on model generalization and multilingual capability. This benchmark is designed as a living resource, inviting community contributions to maintain relevance through future evaluations.

As large language models (LLMs) reach high scores on established mathematical benchmarks, such as GSM8K and MATH, the research community has turned to International Mathematical Olympiad (IMO) problems to push the evaluation frontier. However, existing Olympiad-level benchmarks suffer from practical constraints that introduce grading noise and potential bias, such as heterogeneous answer formats requiring model-based judges and a reliance on potentially flawed solutions. We introduce RIMO, a two-track benchmark designed to preserve peak Olympiad difficulty while eliminating this evaluation noise. The first track, RIMO-N, rewrites 335 IMO problems to admit a single, unique integer answer, allowing for deterministic correctness checking. The second track, RIMO-P, features 456 proof problems with expert-checked solutions, which are decomposed into a sequence of sub-problems to evaluate the step-by-step reasoning process via an automated grading system. Our benchmarking of ten frontier LLMs, including GPT-4o and Gemini 2.5 Flash, reveals that while these systems excel on older benchmarks, their performance drops sharply on RIMO. These results highlight a substantial gap between current LLM capabilities and actual Olympiad-level reasoning. By providing a challenging yet easy-to-evaluate suite, RIMO offers a high-resolution yardstick for future research, presenting a clear target for closing the profound reasoning gap our findings expose.

Function calling is a core capability of large language models, essential for AI agents. Existing benchmarks such as the Berkeley Function Calling Leaderboard (BFCL), tau^2-Bench (arXiv:2506.07982), and ACEBench (arXiv:2501.12851) evaluate argument correctness but do not test adherence to format instructions embedded in parameter descriptions, such as enclosing values in double quotes or using ISO date formats. We introduce IFEval-FC, a benchmark inspired by IFEval (arXiv:2311.07911) that assesses precise instruction following in function calling. IFEval-FC encodes verifiable formats directly within JSON schema descriptions, for example specifying that a value must not contain punctuation. It includes 750 test cases, each consisting of a function with an embedded format for one of its input parameters and a corresponding user query. Evaluation is fully algorithmic, ensuring objectivity, reproducibility, and scalability. Our results show that even state-of-the-art proprietary models, including GPT-5 and Claude 4.1 Opus, frequently fail to follow basic formatting rules, highlighting a practical limitation for real-world agent systems. The complete codebase and data are publicly available at https://github.com/Skripkon/IFEval-FC.

Generative models are becoming a tool of choice for exploring the molecular space. These models learn on a large training dataset and produce novel molecular structures with similar properties. Generated structures can be utilized for virtual screening or training semi-supervised predictive models in the downstream tasks. While there are plenty of generative models, it is unclear how to compare and rank them. In this work, we introduce a benchmarking platform called Molecular Sets (MOSES) to standardize training and comparison of molecular generative models. MOSES provides a training and testing datasets, and a set of metrics to evaluate the quality and diversity of generated structures. We have implemented and compared several molecular generation models and suggest to use our results as reference points for further advancements in generative chemistry research. The platform and source code are available at https://github.com/molecularsets/moses.

Accurate prediction of protein-ligand binding affinities is crucial in drug discovery, particularly during hit-to-lead and lead optimization phases, however, limitations in ligand force fields continue to impact prediction accuracy. In this work, we validate relative binding free energy (RBFE) accuracy using neural network potentials (NNPs) for the ligands. We utilize a novel NNP model, AceForce 1.0, based on the TensorNet architecture for small molecules that broadens the applicability to diverse drug-like compounds, including all important chemical elements and supporting charged molecules. Using established benchmarks, we show overall improved accuracy and correlation in binding affinity predictions compared with GAFF2 for molecular mechanics and ANI2-x for NNPs. Slightly less accuracy but comparable correlations with OPLS4. We also show that we can run the NNP simulations at 2 fs timestep, at least two times larger than previous NNP models, providing significant speed gains. The results show promise for further evolutions of free energy calculations using NNPs while demonstrating its practical use already with the current generation. The code and NNP model are publicly available for research use.

Evaluating AI agents within complex, interactive environments that mirror real-world challenges is critical for understanding their practical capabilities. While existing agent benchmarks effectively assess skills like tool use or performance on structured tasks, they often do not fully capture an agent's ability to operate autonomously in exploratory environments that demand sustained, self-directed reasoning over a long and growing context. To spur the development of agents capable of more robust intrinsic reasoning over long horizons, we introduce TextQuests, a benchmark based on the Infocom suite of interactive fiction games. These text-based adventures, which can take human players over 30 hours and require hundreds of precise actions to solve, serve as an effective proxy for evaluating AI agents on focused, stateful tasks. The benchmark is specifically designed to assess an LLM agent's capacity for self-contained problem-solving by precluding the use of external tools, thereby focusing on intrinsic long-context reasoning capabilities in an exploratory environment characterized by the need for trial-and-error learning and sustained problem-solving within a single interactive session. We release TextQuests at https://textquests.ai.

How can we test AI performance? This question seems trivial, but it isn't. Standard benchmarks often have problems such as in-distribution and small-size test sets, oversimplified metrics, unfair comparisons, and short-term outcome pressure. As a consequence, good performance on standard benchmarks does not guarantee success in real-world scenarios. To address these problems, we present Touchstone, a large-scale collaborative segmentation benchmark of 9 types of abdominal organs. This benchmark is based on 5,195 training CT scans from 76 hospitals around the world and 5,903 testing CT scans from 11 additional hospitals. This diverse test set enhances the statistical significance of benchmark results and rigorously evaluates AI algorithms across various out-of-distribution scenarios. We invited 14 inventors of 19 AI algorithms to train their algorithms, while our team, as a third party, independently evaluated these algorithms on three test sets. In addition, we also evaluated pre-existing AI frameworks--which, differing from algorithms, are more flexible and can support different algorithms--including MONAI from NVIDIA, nnU-Net from DKFZ, and numerous other open-source frameworks. We are committed to expanding this benchmark to encourage more innovation of AI algorithms for the medical domain.

Click-through rate (CTR) prediction is a critical task for many applications, as its accuracy has a direct impact on user experience and platform revenue. In recent years, CTR prediction has been widely studied in both academia and industry, resulting in a wide variety of CTR prediction models. Unfortunately, there is still a lack of standardized benchmarks and uniform evaluation protocols for CTR prediction research. This leads to non-reproducible or even inconsistent experimental results among existing studies, which largely limits the practical value and potential impact of their research. In this work, we aim to perform open benchmarking for CTR prediction and present a rigorous comparison of different models in a reproducible manner. To this end, we ran over 7,000 experiments for more than 12,000 GPU hours in total to re-evaluate 24 existing models on multiple datasets and settings. Surprisingly, our experiments show that with sufficient hyper-parameter search and model tuning, many deep models have smaller differences than expected. The results also reveal that making real progress on the modeling of CTR prediction is indeed a very challenging research task. We believe that our benchmarking work could not only allow researchers to gauge the effectiveness of new models conveniently but also make them fairly compare with the state of the arts. We have publicly released the benchmarking code, evaluation protocols, and hyper-parameter settings of our work to promote reproducible research in this field.

In this paper, we introduce OSUniverse: a benchmark of complex, multimodal desktop-oriented tasks for advanced GUI-navigation AI agents that focuses on ease of use, extensibility, comprehensive coverage of test cases, and automated validation. We divide the tasks in increasing levels of complexity, from basic precision clicking to multistep, multiapplication tests requiring dexterity, precision, and clear thinking from the agent. In version one of the benchmark, presented here, we have calibrated the complexity of the benchmark test cases to ensure that the SOTA (State of the Art) agents (at the time of publication) do not achieve results higher than 50%, while the average white collar worker can perform all these tasks with perfect accuracy. The benchmark can be scored manually, but we also introduce an automated validation mechanism that has an average error rate less than 2%. Therefore, this benchmark presents solid ground for fully automated measuring of progress, capabilities and the effectiveness of GUI-navigation AI agents over the short and medium-term horizon. The source code of the benchmark is available at https://github.com/agentsea/osuniverse.

As models become increasingly sophisticated, conventional algorithm benchmarks are increasingly saturated, underscoring the need for more challenging benchmarks to guide future improvements in algorithmic reasoning. This paper introduces OIBench, a high-quality, private, and challenging olympiad-level informatics dataset comprising 250 carefully curated original problems. We detail the construction methodology of the benchmark, ensuring a comprehensive assessment across various programming paradigms and complexities, and we demonstrate its contamination-resistant properties via experiments. We propose Time/Space Completion Curves for finer-grained efficiency analysis and enable direct human-model comparisons through high-level participant evaluations. Our experiments reveal that while open-source models lag behind closed-source counterparts, current SOTA models already outperform most human participants in both correctness and efficiency, while still being suboptimal compared to the canonical solutions. By releasing OIBench as a fully open-source resource (https://huggingface.co/datasets/AGI-Eval/OIBench), we hope this benchmark will contribute to advancing code reasoning capabilities for future LLMs.

With the advent of highly capable instruction-tuned neural language models, benchmarking in natural language processing (NLP) is increasingly shifting towards pairwise comparison leaderboards, such as LMSYS Arena, from traditional global pointwise scores (e.g., GLUE, BIG-bench, SWE-bench). This paper empirically investigates the strengths and weaknesses of both global scores and pairwise comparisons to aid decision-making in selecting appropriate model evaluation strategies. Through computational experiments on synthetic and real-world datasets using standard global metrics and the popular Bradley-Terry model for pairwise comparisons, we found that while global scores provide more reliable overall rankings, they can underestimate strong models with rare, significant errors or low confidence. Conversely, pairwise comparisons are particularly effective for identifying strong contenders among models with lower global scores, especially where quality metrics are hard to define (e.g., text generation), though they require more comparisons to converge if ties are frequent. Our code and data are available at https://github.com/HSPyroblast/srw-ranking under a permissive license.

Benchmarking vision-based driving policies is challenging. On one hand, open-loop evaluation with real data is easy, but these results do not reflect closed-loop performance. On the other, closed-loop evaluation is possible in simulation, but is hard to scale due to its significant computational demands. Further, the simulators available today exhibit a large domain gap to real data. This has resulted in an inability to draw clear conclusions from the rapidly growing body of research on end-to-end autonomous driving. In this paper, we present NAVSIM, a middle ground between these evaluation paradigms, where we use large datasets in combination with a non-reactive simulator to enable large-scale real-world benchmarking. Specifically, we gather simulation-based metrics, such as progress and time to collision, by unrolling bird's eye view abstractions of the test scenes for a short simulation horizon. Our simulation is non-reactive, i.e., the evaluated policy and environment do not influence each other. As we demonstrate empirically, this decoupling allows open-loop metric computation while being better aligned with closed-loop evaluations than traditional displacement errors. NAVSIM enabled a new competition held at CVPR 2024, where 143 teams submitted 463 entries, resulting in several new insights. On a large set of challenging scenarios, we observe that simple methods with moderate compute requirements such as TransFuser can match recent large-scale end-to-end driving architectures such as UniAD. Our modular framework can potentially be extended with new datasets, data curation strategies, and metrics, and will be continually maintained to host future challenges. Our code is available at https://github.com/autonomousvision/navsim.

This paper introduces the Fair Fairness Benchmark (FFB), a benchmarking framework for in-processing group fairness methods. Ensuring fairness in machine learning is critical for ethical and legal compliance. However, there exist challenges in comparing and developing of fairness methods due to inconsistencies in experimental settings, lack of accessible algorithmic implementations, and limited extensibility of current fairness packages and tools. To address these issues, we introduce an open-source, standardized benchmark for evaluating in-processing group fairness methods and provide a comprehensive analysis of state-of-the-art methods to ensure different notions of group fairness. This work offers the following key contributions: the provision of flexible, extensible, minimalistic, and research-oriented open-source code; the establishment of unified fairness method benchmarking pipelines; and extensive benchmarking, which yields key insights from 45,079 experiments. We believe our work will significantly facilitate the growth and development of the fairness research community. The benchmark, including code and running logs, is available at https://github.com/ahxt/fair_fairness_benchmark

Recent advances in protein structure prediction have achieved near-atomic accuracy for well-folded proteins. However, current benchmarks inadequately assess model performance in biologically challenging contexts, especially those involving intrinsically disordered regions (IDRs), limiting their utility in applications such as drug discovery, disease variant interpretation, and protein interface design. We introduce DisProtBench, a comprehensive benchmark for evaluating protein structure prediction models (PSPMs) under structural disorder and complex biological conditions. DisProtBench spans three key axes: (1) Data complexity, covering disordered regions, G protein-coupled receptor (GPCR) ligand pairs, and multimeric complexes; (2) Task diversity, benchmarking twelve leading PSPMs across structure-based tasks with unified classification, regression, and interface metrics; and (3) Interpretability, via the DisProtBench Portal, which provides precomputed 3D structures and visual error analyses. Our results reveal significant variability in model robustness under disorder, with low-confidence regions linked to functional prediction failures. Notably, global accuracy metrics often fail to predict task performance in disordered settings, emphasizing the need for function-aware evaluation. DisProtBench establishes a reproducible, extensible, and biologically grounded framework for assessing next-generation PSPMs in realistic biomedical scenarios.

AI text-to-app tools promise high quality applications and websites in minutes, yet no public benchmark rigorously verifies those claims. We introduce UI-Bench, the first large-scale benchmark that evaluates visual excellence across competing AI text-to-app tools through expert pairwise comparison. Spanning 10 tools, 30 prompts, 300 generated sites, and 4,000+ expert judgments, UI-Bench ranks systems with a TrueSkill-derived model that yields calibrated confidence intervals. UI-Bench establishes a reproducible standard for advancing AI-driven web design. We release (i) the complete prompt set, (ii) an open-source evaluation framework, and (iii) a public leaderboard. The generated sites rated by participants will be released soon. View the UI-Bench leaderboard at https://uibench.ai/leaderboard.

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing benchmarks that are cheap to evaluate, but still represent realistic use cases. We believe these benchmarks provide an easy and efficient way to conduct reproducible experiments for neural hyperparameter search. Our benchmarks consist of a large grid of configurations of a feed forward neural network on four different regression datasets including architectural hyperparameters and hyperparameters concerning the training pipeline. Based on this data, we performed an in-depth analysis to gain a better understanding of the properties of the optimization problem, as well as of the importance of different types of hyperparameters. Second, we exhaustively compared various different state-of-the-art methods from the hyperparameter optimization literature on these benchmarks in terms of performance and robustness.

Multimodal retrieval is becoming a crucial component of modern AI applications, yet its evaluation lags behind the demands of more realistic and challenging scenarios. Existing benchmarks primarily probe surface-level semantic correspondence (e.g., object-text matching) while failing to assess the deeper reasoning required to capture complex relationships between visual and textual information. To address this gap, we introduce MR^2-Bench, a reasoning-intensive benchmark for multimodal retrieval. MR^2-Bench presents the following critical values: 1) all tasks are reasoning-driven, going beyond shallow matching to effectively assess models' capacity for logical, spatial, and causal inference; 2) it features diverse multimodal data, such as natural images, diagrams, and visual puzzles, enabling comprehensive evaluation across content types; 3) it supports complex queries and documents containing multiple images and covers diverse retrieval scenarios, more accurately reflecting real-world applications. Our benchmark contains 1,309 curated queries, derived either from manual collection and annotation or from selective consolidation of public datasets. Despite achieving strong results on existing benchmarks, current state-of-the-art models still struggle on MR^2-Bench: for example, the leading Seed1.6-Embedding model attains a Recall@1 of 77.78 on MMEB, but only 9.91 on MR^2-Bench. This substantial performance gap highlights both the increased challenge posed by our benchmark and the pressing need for further advances in reasoning-intensive multimodal retrieval. The dataset and evaluation code will be made publicly available at https://github.com/VectorSpaceLab/MR2-Bench.

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and reasoning on textbook-style science questions, but few if any benchmarks are designed to evaluate language model performance on practical tasks required for scientific research, such as literature search, protocol planning, and data analysis. As a step toward building such benchmarks, we introduce the Language Agent Biology Benchmark (LAB-Bench), a broad dataset of over 2,400 multiple choice questions for evaluating AI systems on a range of practical biology research capabilities, including recall and reasoning over literature, interpretation of figures, access and navigation of databases, and comprehension and manipulation of DNA and protein sequences. Importantly, in contrast to previous scientific benchmarks, we expect that an AI system that can achieve consistently high scores on the more difficult LAB-Bench tasks would serve as a useful assistant for researchers in areas such as literature search and molecular cloning. As an initial assessment of the emergent scientific task capabilities of frontier language models, we measure performance of several against our benchmark and report results compared to human expert biology researchers. We will continue to update and expand LAB-Bench over time, and expect it to serve as a useful tool in the development of automated research systems going forward. A public subset of LAB-Bench is available for use at the following URL: https://huggingface.co/datasets/futurehouse/lab-bench

We introduce IntFold, a controllable foundation model for both general and specialized biomolecular structure prediction. IntFold demonstrates predictive accuracy comparable to the state-of-the-art AlphaFold3, while utilizing a superior customized attention kernel. Beyond standard structure prediction, IntFold can be adapted to predict allosteric states, constrained structures, and binding affinity through the use of individual adapters. Furthermore, we introduce a novel confidence head to estimate docking quality, offering a more nuanced assessment for challenging targets such as antibody-antigen complexes. Finally, we share insights gained during the training process of this computationally intensive model.

Training algorithms, broadly construed, are an essential part of every deep learning pipeline. Training algorithm improvements that speed up training across a wide variety of workloads (e.g., better update rules, tuning protocols, learning rate schedules, or data selection schemes) could save time, save computational resources, and lead to better, more accurate, models. Unfortunately, as a community, we are currently unable to reliably identify training algorithm improvements, or even determine the state-of-the-art training algorithm. In this work, using concrete experiments, we argue that real progress in speeding up training requires new benchmarks that resolve three basic challenges faced by empirical comparisons of training algorithms: (1) how to decide when training is complete and precisely measure training time, (2) how to handle the sensitivity of measurements to exact workload details, and (3) how to fairly compare algorithms that require hyperparameter tuning. In order to address these challenges, we introduce a new, competitive, time-to-result benchmark using multiple workloads running on fixed hardware, the AlgoPerf: Training Algorithms benchmark. Our benchmark includes a set of workload variants that make it possible to detect benchmark submissions that are more robust to workload changes than current widely-used methods. Finally, we evaluate baseline submissions constructed using various optimizers that represent current practice, as well as other optimizers that have recently received attention in the literature. These baseline results collectively demonstrate the feasibility of our benchmark, show that non-trivial gaps between methods exist, and set a provisional state-of-the-art for future benchmark submissions to try and surpass.

The development of autonomous agents increasingly relies on Multimodal Language Models (MLMs) to perform tasks described in natural language with GUI environments, such as websites, desktop computers, or mobile phones. Existing benchmarks for MLM agents in interactive environments are limited by their focus on a single environment, lack of detailed and generalized evaluation methods, and the complexities of constructing tasks and evaluators. To overcome these limitations, we introduce Crab, the first agent benchmark framework designed to support cross-environment tasks, incorporating a graph-based fine-grained evaluation method and an efficient mechanism for task and evaluator construction. Our framework supports multiple devices and can be easily extended to any environment with a Python interface. Leveraging Crab, we developed a cross-platform Crab Benchmark-v0 comprising 100 tasks in computer desktop and mobile phone environments. We evaluated four advanced MLMs using different single and multi-agent system configurations on this benchmark. The experimental results demonstrate that the single agent with GPT-4o achieves the best completion ratio of 35.26%. All framework code, agent code, and task datasets are publicly available at https://github.com/camel-ai/crab.

Text-to-3D generation has achieved remarkable progress in recent years, yet evaluating these methods remains challenging for two reasons: i) Existing benchmarks lack fine-grained evaluation on different prompt categories and evaluation dimensions. ii) Previous evaluation metrics only focus on a single aspect (e.g., text-3D alignment) and fail to perform multi-dimensional quality assessment. To address these problems, we first propose a comprehensive benchmark named MATE-3D. The benchmark contains eight well-designed prompt categories that cover single and multiple object generation, resulting in 1,280 generated textured meshes. We have conducted a large-scale subjective experiment from four different evaluation dimensions and collected 107,520 annotations, followed by detailed analyses of the results. Based on MATE-3D, we propose a novel quality evaluator named HyperScore. Utilizing hypernetwork to generate specified mapping functions for each evaluation dimension, our metric can effectively perform multi-dimensional quality assessment. HyperScore presents superior performance over existing metrics on MATE-3D, making it a promising metric for assessing and improving text-to-3D generation. The project is available at https://mate-3d.github.io/.

Existing benchmarks for frontier models often test specialized, ``PhD-level'' knowledge that is difficult for non-experts to grasp. In contrast, we present a benchmark based on the NPR Sunday Puzzle Challenge that requires only general knowledge. Our benchmark is challenging for both humans and models, however correct solutions are easy to verify, and models' mistakes are easy to spot. Our work reveals capability gaps that are not evident in existing benchmarks: OpenAI o1 significantly outperforms other reasoning models that are on par on benchmarks that test specialized knowledge. Furthermore, our analysis of reasoning outputs uncovers new kinds of failures. DeepSeek R1, for instance, often concedes with ``I give up'' before providing an answer that it knows is wrong. R1 can also be remarkably ``uncertain'' in its output and in rare cases, it does not ``finish thinking,'' which suggests the need for an inference-time technique to ``wrap up'' before the context window limit is reached. We also quantify the effectiveness of reasoning longer with R1 and Gemini Thinking to identify the point beyond which more reasoning is unlikely to improve accuracy on our benchmark.

Planning is central to agents and agentic AI. The ability to plan, e.g., creating travel itineraries within a budget, holds immense potential in both scientific and commercial contexts. Moreover, optimal plans tend to require fewer resources compared to ad-hoc methods. To date, a comprehensive understanding of existing planning benchmarks appears to be lacking. Without it, comparing planning algorithms' performance across domains or selecting suitable algorithms for new scenarios remains challenging. In this paper, we examine a range of planning benchmarks to identify commonly used testbeds for algorithm development and highlight potential gaps. These benchmarks are categorized into embodied environments, web navigation, scheduling, games and puzzles, and everyday task automation. Our study recommends the most appropriate benchmarks for various algorithms and offers insights to guide future benchmark development.

With the increasing code reasoning capabilities of existing large language models (LLMs) and breakthroughs in reasoning models like OpenAI o1 and o3, there is a growing need to develop more challenging and comprehensive benchmarks that effectively test their sophisticated competition-level coding abilities. Existing benchmarks, like LiveCodeBench and USACO, fall short due to the unavailability of private test cases, lack of support for special judges, and misaligned execution environments. To bridge this gap, we introduce CodeElo, a standardized competition-level code generation benchmark that effectively addresses all these challenges for the first time. CodeElo benchmark is mainly based on the official CodeForces platform and tries to align with the platform as much as possible. We compile the recent six months of contest problems on CodeForces with detailed information such as contest divisions, problem difficulty ratings, and problem algorithm tags. We introduce a unique judging method in which problems are submitted directly to the platform and develop a reliable Elo rating calculation system that aligns with the platform and is comparable with human participants but has lower variance. By testing on our CodeElo, we provide the Elo ratings of 30 existing popular open-source and 3 proprietary LLMs for the first time. The results show that o1-mini and QwQ-32B-Preview stand out significantly, achieving Elo ratings of 1578 and 1261, respectively, while other models struggle even with the easiest problems, placing in the lowest 20 percent among all human participants. Detailed analysis experiments are also conducted to provide insights into performance across algorithms and comparisons between using C++ and Python, which can suggest directions for future studies.

Reward models are used throughout the post-training of language models to capture nuanced signals from preference data and provide a training target for optimization across instruction following, reasoning, safety, and more domains. The community has begun establishing best practices for evaluating reward models, from the development of benchmarks that test capabilities in specific skill areas to others that test agreement with human preferences. At the same time, progress in evaluation has not been mirrored by the effectiveness of reward models in downstream tasks -- simpler direct alignment algorithms are reported to work better in many cases. This paper introduces RewardBench 2, a new multi-skill reward modeling benchmark designed to bring new, challenging data for accuracy-based reward model evaluation -- models score about 20 points on average lower on RewardBench 2 compared to the first RewardBench -- while being highly correlated with downstream performance. Compared to most other benchmarks, RewardBench 2 sources new human prompts instead of existing prompts from downstream evaluations, facilitating more rigorous evaluation practices. In this paper, we describe our benchmark construction process and report how existing models perform on it, while quantifying how performance on the benchmark correlates with downstream use of the models in both inference-time scaling algorithms, like best-of-N sampling, and RLHF training algorithms like proximal policy optimization.

As large language models (LLMs) continue to advance, the need for up-to-date and well-organized benchmarks becomes increasingly critical. However, many existing datasets are scattered, difficult to manage, and make it challenging to perform evaluations tailored to specific needs or domains, despite the growing importance of domain-specific models in areas such as math or code. In this paper, we introduce BenchHub, a dynamic benchmark repository that empowers researchers and developers to evaluate LLMs more effectively. BenchHub aggregates and automatically classifies benchmark datasets from diverse domains, integrating 303K questions across 38 benchmarks. It is designed to support continuous updates and scalable data management, enabling flexible and customizable evaluation tailored to various domains or use cases. Through extensive experiments with various LLM families, we demonstrate that model performance varies significantly across domain-specific subsets, emphasizing the importance of domain-aware benchmarking. We believe BenchHub can encourage better dataset reuse, more transparent model comparisons, and easier identification of underrepresented areas in existing benchmarks, offering a critical infrastructure for advancing LLM evaluation research.

Developing large language models is expensive and involves making decisions with small experiments, typically by evaluating on large, multi-task evaluation suites. In this work, we analyze specific properties which make a benchmark more reliable for such decisions, and interventions to design higher-quality evaluation benchmarks. We introduce two key metrics that show differences in current benchmarks: signal, a benchmark's ability to separate better models from worse models, and noise, a benchmark's sensitivity to random variability between training steps. We demonstrate that benchmarks with a better signal-to-noise ratio are more reliable when making decisions at small scale, and those with less noise have lower scaling law prediction error. These results suggest that improving signal or noise will lead to more useful benchmarks, so we introduce three interventions designed to directly affect signal or noise. For example, we propose that switching to a metric that has better signal and noise (e.g., perplexity rather than accuracy) leads to better reliability and improved scaling law error. We also find that filtering noisy subtasks, to improve an aggregate signal-to-noise ratio, leads to more reliable multi-task evaluations. We also find that averaging the output of a model's intermediate checkpoints to reduce noise leads to consistent improvements. We conclude by recommending that those creating new benchmarks, or selecting which existing benchmarks to use, aim for high signal and low noise. We use 30 benchmarks for these experiments, and 375 open-weight language models from 60M to 32B parameters, resulting in a new, publicly available dataset of 900K evaluation benchmark results, totaling 200M instances.

Developing artificial intelligence (AI) for vertical domains requires a solid data foundation for both training and evaluation. In this work, we introduce TrialPanorama, a large-scale, structured database comprising 1,657,476 clinical trial records aggregated from 15 global sources. The database captures key aspects of trial design and execution, including trial setups, interventions, conditions, biomarkers, and outcomes, and links them to standard biomedical ontologies such as DrugBank and MedDRA. This structured and ontology-grounded design enables TrialPanorama to serve as a unified, extensible resource for a wide range of clinical trial tasks, including trial planning, design, and summarization. To demonstrate its utility, we derive a suite of benchmark tasks directly from the TrialPanorama database. The benchmark spans eight tasks across two categories: three for systematic review (study search, study screening, and evidence summarization) and five for trial design (arm design, eligibility criteria, endpoint selection, sample size estimation, and trial completion assessment). The experiments using five state-of-the-art large language models (LLMs) show that while general-purpose LLMs exhibit some zero-shot capability, their performance is still inadequate for high-stakes clinical trial workflows. We release TrialPanorama database and the benchmark to facilitate further research on AI for clinical trials.

We introduce the Formally Verified Automated Programming Progress Standards, or FVAPPS, a benchmark of 4715 samples for writing programs and proving their correctness, the largest formal verification benchmark, including 1083 curated and quality controlled samples. Previously, APPS provided a benchmark and dataset for programming puzzles to be completed in Python and checked against unit tests, of the kind seen in technical assessments in the software engineering industry. Building upon recent approaches for benchmarks in interactive theorem proving, we generalize the unit tests to Lean 4 theorems given without proof (i.e., using Lean's "sorry" keyword). On the 406 theorems of 100 randomly selected samples, Sonnet correctly proves 30% and Gemini correctly proves 18%. We challenge the machine learning and program synthesis communities to solve both each general purpose programming problem and its associated correctness specifications. The benchmark is available at https://huggingface.co/datasets/quinn-dougherty/fvapps.

We introduce PHYBench, a novel, high-quality benchmark designed for evaluating reasoning capabilities of large language models (LLMs) in physical contexts. PHYBench consists of 500 meticulously curated physics problems based on real-world physical scenarios, designed to assess the ability of models to understand and reason about realistic physical processes. Covering mechanics, electromagnetism, thermodynamics, optics, modern physics, and advanced physics, the benchmark spans difficulty levels from high school exercises to undergraduate problems and Physics Olympiad challenges. Additionally, we propose the Expression Edit Distance (EED) Score, a novel evaluation metric based on the edit distance between mathematical expressions, which effectively captures differences in model reasoning processes and results beyond traditional binary scoring methods. We evaluate various LLMs on PHYBench and compare their performance with human experts. Our results reveal that even state-of-the-art reasoning models significantly lag behind human experts, highlighting their limitations and the need for improvement in complex physical reasoning scenarios. Our benchmark results and dataset are publicly available at https://phybench-official.github.io/phybench-demo/.

Automated software engineering has been greatly empowered by the recent advances in Large Language Models (LLMs) for programming. While current benchmarks have shown that LLMs can perform various software engineering tasks like human developers, the majority of their evaluations are limited to short and self-contained algorithmic tasks. Solving challenging and practical programming tasks requires the capability of utilizing diverse function calls as tools to efficiently implement functionalities like data analysis and web development. In addition, using multiple tools to solve a task needs compositional reasoning by accurately understanding complex instructions. Fulfilling both of these characteristics can pose a great challenge for LLMs. To assess how well LLMs can solve challenging and practical programming tasks, we introduce Bench, a benchmark that challenges LLMs to invoke multiple function calls as tools from 139 libraries and 7 domains for 1,140 fine-grained programming tasks. To evaluate LLMs rigorously, each programming task encompasses 5.6 test cases with an average branch coverage of 99%. In addition, we propose a natural-language-oriented variant of Bench, Benchi, that automatically transforms the original docstrings into short instructions only with essential information. Our extensive evaluation of 60 LLMs shows that LLMs are not yet capable of following complex instructions to use function calls precisely, with scores up to 60%, significantly lower than the human performance of 97%. The results underscore the need for further advancements in this area.

In this paper, we propose Text-based Open Molecule Generation Benchmark (TOMG-Bench), the first benchmark to evaluate the open-domain molecule generation capability of LLMs. TOMG-Bench encompasses a dataset of three major tasks: molecule editing (MolEdit), molecule optimization (MolOpt), and customized molecule generation (MolCustom). Each task further contains three subtasks, with each subtask comprising 5,000 test samples. Given the inherent complexity of open molecule generation, we have also developed an automated evaluation system that helps measure both the quality and the accuracy of the generated molecules. Our comprehensive benchmarking of 25 LLMs reveals the current limitations and potential areas for improvement in text-guided molecule discovery. Furthermore, with the assistance of OpenMolIns, a specialized instruction tuning dataset proposed for solving challenges raised by TOMG-Bench, Llama3.1-8B could outperform all the open-source general LLMs, even surpassing GPT-3.5-turbo by 46.5\% on TOMG-Bench. Our codes and datasets are available through https://github.com/phenixace/TOMG-Bench.

In recent years, large language models (LLMs) have made significant progress in code intelligence, yet systematically evaluating their code understanding and reasoning abilities remains challenging. Mainstream benchmarks such as HumanEval and MBPP primarily assess functional correctness, while reasoning benchmarks like CRUXEVAL are limited to single-function, low-complexity scenarios. As a result, advanced models achieve nearly saturated scores, limiting their discriminative power. To address this, we present STEPWISE-CODEX-Bench (SX-Bench), a novel benchmark designed for complex multi-function understanding and fine-grained execution reasoning. SX-Bench features tasks involving collaboration among multiple sub-functions (e.g., chained calls, nested loops), shifting evaluation towards overall control and data flow modeling. It defines "computation steps" as the minimal execution unit and requires models to predict the total number of steps in reasoning tasks, thereby assessing a model's in-depth understanding of dynamic execution beyond simple I/O matching. Evaluation on over 20 mainstream models (including 14 reasoning-enhanced models) demonstrates that SX-Bench is highly discriminative: even the state-of-the-art OpenAI-O3 achieves only 78.37 percent accuracy on Hard-Reasoning tasks, much lower than its saturated scores on previous benchmarks, thereby revealing bottlenecks in complex and fine-grained reasoning. We also release an automated pipeline combining program synthesis, symbolic execution, and LLM-aided validation for efficient benchmark generation and quality assurance. SX-Bench advances code evaluation from "single-function verification" to "multi-function dynamic reasoning," providing a key tool for the in-depth assessment of advanced code intelligence models.

The rapid advancement of Large Language Models (LLMs) necessitates robust evaluation methodologies. Current benchmarking approaches often rely on comparing model outputs against predefined prompts and reference outputs. Relying on predefined reference outputs hinders flexible adaptation of benchmarks to the rapidly evolving capabilities of LLMs. This limitation necessitates periodic efforts to prepare new benchmarks. To keep pace with rapidly evolving LLM capabilities, we propose a more flexible benchmarking approach. Our method, \textbf{Varco Arena}, provides reference-free benchmarking of LLMs in tournament style. \textbf{Varco Arena} directly compares LLM outputs across a diverse set of prompts, determining model rankings through a single-elimination tournament structure. This direct pairwise comparison offers two key advantages: (1) Direct comparison, unmediated by reference text, more effectively orders competing LLMs, resulting in more reliable rankings, and (2) reference-free approach to benchmarking adds flexibility in updating benchmark prompts by eliminating the need for quality references. Our empirical results, supported by simulation experiments, demonstrate that the \textbf{Varco Arena} tournament approach aligns better with the current Elo model for benchmarking LLMs. The alignment is measured in terms of Spearman correlation, showing improvement over current practice of benchmarking that use reference outputs as comparison anchors.

Most popular benchmarks for comparing LLMs rely on a limited set of prompt templates, which may not fully capture the LLMs' abilities and can affect the reproducibility of results on leaderboards. Many recent works empirically verify prompt sensitivity and advocate for changes in LLM evaluation. In this paper, we consider the problem of estimating the performance distribution across many prompt variants instead of finding a single prompt to evaluate with. We introduce PromptEval, a method for estimating performance across a large set of prompts borrowing strength across prompts and examples to produce accurate estimates under practical evaluation budgets. The resulting distribution can be used to obtain performance quantiles to construct various robust performance metrics (e.g., top 95% quantile or median). We prove that PromptEval consistently estimates the performance distribution and demonstrate its efficacy empirically on three prominent LLM benchmarks: MMLU, BIG-bench Hard, and LMentry. For example, PromptEval can accurately estimate performance quantiles across 100 prompt templates on MMLU with a budget equivalent to two single-prompt evaluations. Our code and data can be found at https://github.com/felipemaiapolo/prompt-eval.

Quantum optimization holds promise for addressing classically intractable combinatorial problems, yet a standardized framework for benchmarking its performance, particularly in terms of solution quality, computational speed, and scalability is still lacking. In this work, we introduce a comprehensive benchmarking framework designed to systematically evaluate a range of quantum optimization techniques against well-established NP-hard combinatorial problems. Our framework focuses on key problem classes, including the Multi-Dimensional Knapsack Problem (MDKP), Maximum Independent Set (MIS), Quadratic Assignment Problem (QAP), and Market Share Problem (MSP). Our study evaluates gate-based quantum approaches, including the Variational Quantum Eigensolver (VQE) and its CVaR-enhanced variant, alongside advanced quantum algorithms such as the Quantum Approximate Optimization Algorithm (QAOA) and its extensions. To address resource constraints, we incorporate qubit compression techniques like Pauli Correlation Encoding (PCE) and Quantum Random Access Optimization (QRAO). Experimental results, obtained from simulated quantum environments and classical solvers, provide key insights into feasibility, optimality gaps, and scalability. Our findings highlight both the promise and current limitations of quantum optimization, offering a structured pathway for future research and practical applications in quantum-enhanced decision-making.

Standardized benchmarks drive progress in machine learning. However, with repeated testing, the risk of overfitting grows as algorithms over-exploit benchmark idiosyncrasies. In our work, we seek to mitigate this challenge by compiling ever-expanding large-scale benchmarks called Lifelong Benchmarks. As exemplars of our approach, we create Lifelong-CIFAR10 and Lifelong-ImageNet, containing (for now) 1.69M and 1.98M test samples, respectively. While reducing overfitting, lifelong benchmarks introduce a key challenge: the high cost of evaluating a growing number of models across an ever-expanding sample set. To address this challenge, we also introduce an efficient evaluation framework: Sort \& Search (S&S), which reuses previously evaluated models by leveraging dynamic programming algorithms to selectively rank and sub-select test samples, enabling cost-effective lifelong benchmarking. Extensive empirical evaluations across 31,000 models demonstrate that S&S achieves highly-efficient approximate accuracy measurement, reducing compute cost from 180 GPU days to 5 GPU hours (1000x reduction) on a single A100 GPU, with low approximation error. As such, lifelong benchmarks offer a robust, practical solution to the "benchmark exhaustion" problem.

There is a surge of interest in image scene graph generation (object, attribute and relationship detection) due to the need of building fine-grained image understanding models that go beyond object detection. Due to the lack of a good benchmark, the reported results of different scene graph generation models are not directly comparable, impeding the research progress. We have developed a much-needed scene graph generation benchmark based on the maskrcnn-benchmark and several popular models. This paper presents main features of our benchmark and a comprehensive ablation study of scene graph generation models using the Visual Genome and OpenImages Visual relationship detection datasets. Our codebase is made publicly available at https://github.com/microsoft/scene_graph_benchmark.

Existing retrieval benchmarks primarily consist of information-seeking queries (e.g., aggregated questions from search engines) where keyword or semantic-based retrieval is usually sufficient. However, many complex real-world queries require in-depth reasoning to identify relevant documents that go beyond surface form matching. For example, finding documentation for a coding question requires understanding the logic and syntax of the functions involved. To better benchmark retrieval on such challenging queries, we introduce BRIGHT, the first text retrieval benchmark that requires intensive reasoning to retrieve relevant documents. BRIGHT is constructed from the 1,398 real-world queries collected from diverse domains (such as economics, psychology, robotics, software engineering, earth sciences, etc.), sourced from naturally occurring or carefully curated human data. Extensive evaluation reveals that even state-of-the-art retrieval models perform poorly on BRIGHT. The leading model on the MTEB leaderboard [38 ], which achieves a score of 59.0 nDCG@10,2 produces a score of nDCG@10 of 18.0 on BRIGHT. We further demonstrate that augmenting queries with Chain-of-Thought reasoning generated by large language models (LLMs) improves performance by up to 12.2 points. Moreover, BRIGHT is robust against data leakage during pretraining of the benchmarked models as we validate by showing similar performance even when documents from the benchmark are included in the training data. We believe that BRIGHT paves the way for future research on retrieval systems in more realistic and challenging settings. Our code and data are available at https://brightbenchmark.github.io.

Competitive programming benchmarks are widely used in scenarios such as programming contests and large language model assessments. However, the growing presence of duplicate or highly similar problems raises concerns not only about competition fairness, but also about the validity of competitive programming as a benchmark for model evaluation. In this paper, we propose a new problem -- similar question retrieval -- to address this issue. Due to the lack of both data and models, solving this problem is challenging. To this end, we introduce CPRet, a retrieval-oriented benchmark suite for competitive programming, covering four retrieval tasks: two code-centric (i.e., Text-to-Code and Code-to-Code) and two newly proposed problem-centric tasks (i.e., Problem-to-Duplicate and Simplified-to-Full), built from a combination of automatically crawled problem-solution data and manually curated annotations. Our contribution includes both high-quality training data and temporally separated test sets for reliable evaluation. In addition, we develop two task-specialized retrievers based on this dataset: CPRetriever-Code, trained with a novel Group-InfoNCE loss for problem-code alignment, and CPRetriever-Prob, fine-tuned for identifying problem-level similarity. Both models achieve strong results and are open-sourced for local use. Finally, we analyze LiveCodeBench and find that high-similarity problems inflate model pass rates and reduce differentiation, underscoring the need for similarity-aware evaluation in future benchmarks. Code and data are available at: https://github.com/coldchair/CPRet

Code generation benchmarks such as HumanEval are widely adopted to evaluate LLMs' capabilities. However, after consolidating the latest 24 benchmarks, we noticed three significant imbalances. First, imbalanced programming language. 95.8% of benchmarks involve Python, while only 5 benchmarks involve Java. Second, imbalanced code granularity. Function-/statement-level benchmarks account for over 83.3% of benchmarks. Only a mere handful extends to class-/project-levels, and all are limited to Python. Third, lacking advanced features. Existing benchmarks primarily assess basic coding skills, while overlooking advanced Object-Oriented Programming (OOP) features (i.e., encapsulation, inheritance, and polymorphism). To fill these gaps, we propose JavaBench, a project-level Java benchmark that exercises OOP features. It comprises four Java projects with 389 methods in 106 Java classes. The test coverage is up to 92%, and JavaBench is attested by 282 undergraduate students, reaching a 90.93/100 average score (i.e., pass rate against the test suite), ensuring the quality of documentation, code skeleton, and tests. To better evaluate LLM's capability against JavaBench, we introduce a systematic evaluation design covering three context settings and five synthesis strategies at two granularities using three hierarchical metrics. Our extensive experiment yields several interesting findings. First, we noticed that regarding project-level Java programming, LLMs are far behind undergraduate students (no project can be correctly completed by any studied LLMs, and at most 41.17% Pass@5 in a more relaxed evaluation). Second, using method signature as prompt context may strike an ideal balance for project-level code generation. JavaBench is publicly available at https://github.com/java-bench/JavaBench.

We are now witnessing significant progress of deep learning methods in a variety of tasks (or datasets) of proteins. However, there is a lack of a standard benchmark to evaluate the performance of different methods, which hinders the progress of deep learning in this field. In this paper, we propose such a benchmark called PEER, a comprehensive and multi-task benchmark for Protein sEquence undERstanding. PEER provides a set of diverse protein understanding tasks including protein function prediction, protein localization prediction, protein structure prediction, protein-protein interaction prediction, and protein-ligand interaction prediction. We evaluate different types of sequence-based methods for each task including traditional feature engineering approaches, different sequence encoding methods as well as large-scale pre-trained protein language models. In addition, we also investigate the performance of these methods under the multi-task learning setting. Experimental results show that large-scale pre-trained protein language models achieve the best performance for most individual tasks, and jointly training multiple tasks further boosts the performance. The datasets and source codes of this benchmark are all available at https://github.com/DeepGraphLearning/PEER_Benchmark

Answering real-world user queries, such as product search, often requires accurate retrieval of information from semi-structured knowledge bases or databases that involve blend of unstructured (e.g., textual descriptions of products) and structured (e.g., entity relations of products) information. However, previous works have mostly studied textual and relational retrieval tasks as separate topics. To address the gap, we develop STARK, a large-scale Semi-structure retrieval benchmark on Textual and Relational Knowledge Bases. We design a novel pipeline to synthesize natural and realistic user queries that integrate diverse relational information and complex textual properties, as well as their ground-truth answers. Moreover, we rigorously conduct human evaluation to validate the quality of our benchmark, which covers a variety of practical applications, including product recommendations, academic paper searches, and precision medicine inquiries. Our benchmark serves as a comprehensive testbed for evaluating the performance of retrieval systems, with an emphasis on retrieval approaches driven by large language models (LLMs). Our experiments suggest that the STARK datasets present significant challenges to the current retrieval and LLM systems, indicating the demand for building more capable retrieval systems that can handle both textual and relational aspects.

Biological protocols are fundamental to reproducible and safe life science research. While LLMs excel on general tasks, their systematic evaluation on these highly specialized, accuracy-critical, and inherently procedural texts remains limited. In this work, we present BioProBench, the first large-scale, integrated multi-task benchmark for biological protocol understanding and reasoning. While limited benchmarks have touched upon specific aspects like protocol QA, BioProBench provides a comprehensive suite of five core tasks: Protocol Question Answering, Step Ordering, Error Correction, Protocol Generation, and Protocol Reasoning, enabling a holistic evaluation of LLMs on procedural biological texts. Built upon 27K original protocols, it yields nearly 556K high-quality structured instances. We evaluate 12 mainstream open/closed-source LLMs on BioProBench. Experimental results reveal that while top models preform well on surface understanding tasks, struggle significantly with deep reasoning and structured generation tasks like ordering and generation. Furthermore, model comparisons reveal diverse performance: certain open-source models approach closed-source levels on some tasks, yet bio-specific small models lag behind general LLMs, indicating limitations on complex procedural content. Overall, our findings underscore that procedural reasoning within biological protocols represents a significant challenge for current LLMs. BioProBench serves as a standardized framework to diagnose these specific limitations and guide the development of AI systems better equipped for safely automating complex scientific procedures. The code and data are available at: https://github.com/YuyangSunshine/bioprotocolbench and https://huggingface.co/datasets/GreatCaptainNemo/BioProBench.

Recent advances in predicting 6D grasp poses from a single depth image have led to promising performance in robotic grasping. However, previous grasping models face challenges in cluttered environments where nearby objects impact the target object's grasp. In this paper, we first establish a new benchmark dataset for TARget-driven Grasping under Occlusions, named TARGO. We make the following contributions: 1) We are the first to study the occlusion level of grasping. 2) We set up an evaluation benchmark consisting of large-scale synthetic data and part of real-world data, and we evaluated five grasp models and found that even the current SOTA model suffers when the occlusion level increases, leaving grasping under occlusion still a challenge. 3) We also generate a large-scale training dataset via a scalable pipeline, which can be used to boost the performance of grasping under occlusion and generalized to the real world. 4) We further propose a transformer-based grasping model involving a shape completion module, termed TARGO-Net, which performs most robustly as occlusion increases. Our benchmark dataset can be found at https://TARGO-benchmark.github.io/.

We introduce SWE-Bench Pro, a substantially more challenging benchmark that builds upon the best practices of SWE-BENCH [25], but is explicitly designed to capture realistic, complex, enterprise-level problems beyond the scope of SWE-BENCH. SWE-BENCH PRO contains 1,865 problems sourced from a diverse set of 41 actively maintained repositories spanning business applications, B2B services, and developer tools. The benchmark is partitioned into a public set with open access to problems sourced from 11 repositories, a held-out set of 12 repositories and a commercial set of 18 proprietary repositories where we have formal partnership agreements with early-stage startups. Problems in the held-out and the commercial set are not publicly accessible, but we release results on the commercial set. Our benchmark features long-horizon tasks that may require hours to days for a professional software engineer to complete, often involving patches across multiple files and substantial code modifications. All tasks are human-verified and augmented with sufficient context to ensure resolvability. In our evaluation of widely used coding models, under a unified scaffold, we observe that their performance on SWE-Bench PRO remains below 25% (Pass@1), with GPT-5 achieving the highest score to date at 23.3%. To better understand these limitations, we cluster the failure modes observed in the collected agent trajectories for a clearer characterization of the error patterns exhibited by current models. Overall, SWE-BENCH PRO provides a contamination-resistant testbed that more faithfully captures the complexity and diversity of real-world software development, advancing the pursuit of truly autonomous software engineering agents at a professional level.

Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular properties. However, algorithmic progress has been limited due to the lack of a standard benchmark to compare the efficacy of proposed methods; most new algorithms are benchmarked on different datasets making it challenging to gauge the quality of proposed methods. This work introduces MoleculeNet, a large scale benchmark for molecular machine learning. MoleculeNet curates multiple public datasets, establishes metrics for evaluation, and offers high quality open-source implementations of multiple previously proposed molecular featurization and learning algorithms (released as part of the DeepChem open source library). MoleculeNet benchmarks demonstrate that learnable representations are powerful tools for molecular machine learning and broadly offer the best performance. However, this result comes with caveats. Learnable representations still struggle to deal with complex tasks under data scarcity and highly imbalanced classification. For quantum mechanical and biophysical datasets, the use of physics-aware featurizations can be more important than choice of particular learning algorithm.

Recent observations have underscored a disparity between the inflated benchmark scores and the actual performance of LLMs, raising concerns about potential contamination of evaluation benchmarks. This issue is especially critical for closed-source models and certain open-source models where training data transparency is lacking. In this paper we study data contamination by proposing two methods tailored for both open-source and proprietary LLMs. We first introduce a retrieval-based system to explore potential overlaps between evaluation benchmarks and pretraining corpora. We further present a novel investigation protocol named Testset Slot Guessing (TS-Guessing), applicable to both open and proprietary models. This approach entails masking a wrong answer in a multiple-choice question and prompting the model to fill in the gap. Additionally, it involves obscuring an unlikely word in an evaluation example and asking the model to produce it. We find that certain commercial LLMs could surprisingly guess the missing option in various test sets. Specifically, in the TruthfulQA benchmark, we find that LLMs exhibit notable performance improvement when provided with additional metadata in the benchmark. Further, in the MMLU benchmark, ChatGPT and GPT-4 demonstrated an exact match rate of 52\% and 57\%, respectively, in guessing the missing options in benchmark test data. We hope these results underscore the need for more robust evaluation methodologies and benchmarks in the field.

Every data selection method inherently has a target. In practice, these targets often emerge implicitly through benchmark-driven iteration: researchers develop selection strategies, train models, measure benchmark performance, then refine accordingly. This raises a natural question: what happens when we make this optimization explicit? To explore this, we propose benchmark-targeted ranking (BETR), a simple method that selects pretraining documents based on similarity to benchmark training examples. BETR embeds benchmark examples and a sample of pretraining documents in a shared space, scores this sample by similarity to benchmarks, then trains a lightweight classifier to predict these scores for the full corpus. We compare data selection methods by training over 500 models spanning 10^{19} to 10^{22} FLOPs and fitting scaling laws to them. From this, we find that simply aligning pretraining data to evaluation benchmarks using BETR achieves a 2.1x compute multiplier over DCLM-Baseline (4.7x over unfiltered data) and improves performance on 9 out of 10 tasks across all scales. BETR also generalizes well: when targeting a diverse set of benchmarks disjoint from our evaluation suite, it still matches or outperforms baselines. Our scaling analysis further reveals a clear trend: larger models require less aggressive filtering. Overall, our findings show that directly matching pretraining data to target tasks precisely shapes model capabilities and highlight that optimal selection strategies must adapt to model scale.

We present a vector-based method to balance chemical reactions. The algorithm builds candidates in a deterministic way, removes duplicates, and always prints coefficients in the lowest whole-number form. For redox cases, electrons and protons/hydroxide are treated explicitly, so both mass and charge are balanced. We also outline the basic principles of the vector formulation of stoichiometry, interpreting reactions as integer vectors in composition space, this geometric view supports compact visualizations of reagent-product interactions and helps surface distinct reaction families. The method enumerates valid balances for arbitrary user-specified species lists without special-case balancing rules or symbolic tricks, and it provides a clean foundation for developing new algorithmic variants (e.g., alternative objectives or constraints). On representative examples (neutralization, double displacement, decomposition, classical redox, small multicomponent sets) and a negative control, the method produced correct integer balances. When multiple balances exist, we report a canonical one - minimizing the total coefficient sum with a simple tie-breaker - without claiming global optimality beyond the solutions the search enumerates. The procedure applies per reaction and extends to reaction networks via consistent per-reaction application. We do not report runtimes, broader benchmarking and code/data release are planned.

With the success of deep learning techniques in a broad range of application domains, many deep learning software frameworks have been developed and are being updated frequently to adapt to new hardware features and software libraries, which bring a big challenge for end users and system administrators. To address this problem, container techniques are widely used to simplify the deployment and management of deep learning software. However, it remains unknown whether container techniques bring any performance penalty to deep learning applications. The purpose of this work is to systematically evaluate the impact of docker container on the performance of deep learning applications. We first benchmark the performance of system components (IO, CPU and GPU) in a docker container and the host system and compare the results to see if there's any difference. According to our results, we find that computational intensive jobs, either running on CPU or GPU, have small overhead indicating docker containers can be applied to deep learning programs. Then we evaluate the performance of some popular deep learning tools deployed in a docker container and the host system. It turns out that the docker container will not cause noticeable drawbacks while running those deep learning tools. So encapsulating deep learning tool in a container is a feasible solution.

Existing neural information retrieval (IR) models have often been studied in homogeneous and narrow settings, which has considerably limited insights into their out-of-distribution (OOD) generalization capabilities. To address this, and to facilitate researchers to broadly evaluate the effectiveness of their models, we introduce Benchmarking-IR (BEIR), a robust and heterogeneous evaluation benchmark for information retrieval. We leverage a careful selection of 18 publicly available datasets from diverse text retrieval tasks and domains and evaluate 10 state-of-the-art retrieval systems including lexical, sparse, dense, late-interaction and re-ranking architectures on the BEIR benchmark. Our results show BM25 is a robust baseline and re-ranking and late-interaction-based models on average achieve the best zero-shot performances, however, at high computational costs. In contrast, dense and sparse-retrieval models are computationally more efficient but often underperform other approaches, highlighting the considerable room for improvement in their generalization capabilities. We hope this framework allows us to better evaluate and understand existing retrieval systems, and contributes to accelerating progress towards better robust and generalizable systems in the future. BEIR is publicly available at https://github.com/UKPLab/beir.

Rigorous and reproducible evaluation is critical for assessing the state of the art and for guiding scientific advances in Artificial Intelligence. Evaluation is challenging in practice due to several reasons, including benchmark saturation, lack of transparency in methods used for measurement, development challenges in extracting measurements for generative tasks, and, more generally, the extensive number of capabilities required for a well-rounded comparison across models. We make three contributions to alleviate the above challenges. First, we present Eureka, an open-source framework for standardizing evaluations of large foundation models beyond single-score reporting and rankings. Second, we introduce Eureka-Bench as an extensible collection of benchmarks testing capabilities that (i) are still challenging for state-of-the-art models and (ii) represent fundamental but overlooked language and multimodal capabilities. The inherent space for improvement in non-saturated benchmarks enables us to discover meaningful differences between models at a capability level. Third, using Eureka, we conduct an analysis of 12 state-of-the-art models, providing in-depth insights into failure understanding and model comparison, which can be leveraged to plan targeted improvements. In contrast to recent trends in reports and leaderboards showing absolute rankings and claims for one model or another to be the best, our analysis shows that there is no such best model. Different models have different strengths, but there are models that appear more often than others as best performers for some capabilities. Despite the recent improvements, current models still struggle with several fundamental capabilities including detailed image understanding, benefiting from multimodal input when available rather than fully relying on language, factuality and grounding for information retrieval, and over refusals.

Rapid advancements in large language models (LLMs) have increased interest in deploying them on mobile devices for on-device AI applications. Mobile users interact differently with LLMs compared to desktop users, creating unique expectations and data biases. Current benchmark datasets primarily target at server and desktop environments, and there is a notable lack of extensive datasets specifically designed for mobile contexts. Additionally, mobile devices face strict limitations in storage and computing resources, constraining model size and capabilities, thus requiring optimized efficiency and prioritized knowledge. To address these challenges, we introduce Mobile-MMLU, a large-scale benchmark dataset tailored for mobile intelligence. It consists of 16,186 questions across 80 mobile-related fields, designed to evaluate LLM performance in realistic mobile scenarios. A challenging subset, Mobile-MMLU-Pro, provides advanced evaluation similar in size to MMLU-Pro but significantly more difficult than our standard full set. Both benchmarks use multiple-choice, order-invariant questions focused on practical mobile interactions, such as recipe suggestions, travel planning, and essential daily tasks. The dataset emphasizes critical mobile-specific metrics like inference latency, energy consumption, memory usage, and response quality, offering comprehensive insights into model performance under mobile constraints. Moreover, it prioritizes privacy and adaptability, assessing models' ability to perform on-device processing, maintain user privacy, and adapt to personalized usage patterns. Mobile-MMLU family offers a standardized framework for developing and comparing mobile-optimized LLMs, enabling advancements in productivity and decision-making within mobile computing environments. Our code and data are available at: https://github.com/VILA-Lab/Mobile-MMLU.

We introduce DABstep, a novel benchmark for evaluating AI agents on realistic multi-step data analysis tasks. DABstep comprises over 450 real-world challenges derived from a financial analytics platform, requiring models to combine code-based data processing with contextual reasoning over heterogeneous documentation. Each task demands an iterative, multi-step problem-solving approach, testing capabilities in data manipulation, cross-referencing multiple sources, and precise result reporting. The benchmark provides a factoid-style answer format with automatic correctness checks for objective scoring at scale. We evaluate leading LLM-based agents, revealing a substantial performance gap: even the best agent achieves only 14.55% accuracy on the hardest tasks. We detail our benchmark's design, dataset composition, task formulation, evaluation protocol, report baseline results and analyze failure modes. DABstep is released with a public leaderboard and toolkit to accelerate research in autonomous data analysis.

In this paper, we propose a real-world benchmark for studying robotic learning in the context of functional manipulation: a robot needs to accomplish complex long-horizon behaviors by composing individual manipulation skills in functionally relevant ways. The core design principles of our Functional Manipulation Benchmark (FMB) emphasize a harmonious balance between complexity and accessibility. Tasks are deliberately scoped to be narrow, ensuring that models and datasets of manageable scale can be utilized effectively to track progress. Simultaneously, they are diverse enough to pose a significant generalization challenge. Furthermore, the benchmark is designed to be easily replicable, encompassing all essential hardware and software components. To achieve this goal, FMB consists of a variety of 3D-printed objects designed for easy and accurate replication by other researchers. The objects are procedurally generated, providing a principled framework to study generalization in a controlled fashion. We focus on fundamental manipulation skills, including grasping, repositioning, and a range of assembly behaviors. The FMB can be used to evaluate methods for acquiring individual skills, as well as methods for combining and ordering such skills to solve complex, multi-stage manipulation tasks. We also offer an imitation learning framework that includes a suite of policies trained to solve the proposed tasks. This enables researchers to utilize our tasks as a versatile toolkit for examining various parts of the pipeline. For example, researchers could propose a better design for a grasping controller and evaluate it in combination with our baseline reorientation and assembly policies as part of a pipeline for solving multi-stage tasks. Our dataset, object CAD files, code, and evaluation videos can be found on our project website: https://functional-manipulation-benchmark.github.io

Benchmarks play a crucial role in the development and analysis of reinforcement learning (RL) algorithms. We identify that existing benchmarks used for research into open-ended learning fall into one of two categories. Either they are too slow for meaningful research to be performed without enormous computational resources, like Crafter, NetHack and Minecraft, or they are not complex enough to pose a significant challenge, like Minigrid and Procgen. To remedy this, we first present Craftax-Classic: a ground-up rewrite of Crafter in JAX that runs up to 250x faster than the Python-native original. A run of PPO using 1 billion environment interactions finishes in under an hour using only a single GPU and averages 90% of the optimal reward. To provide a more compelling challenge we present the main Craftax benchmark, a significant extension of the Crafter mechanics with elements inspired from NetHack. Solving Craftax requires deep exploration, long term planning and memory, as well as continual adaptation to novel situations as more of the world is discovered. We show that existing methods including global and episodic exploration, as well as unsupervised environment design fail to make material progress on the benchmark. We believe that Craftax can for the first time allow researchers to experiment in a complex, open-ended environment with limited computational resources.

Recent advances in large language models (LLMs) have increased the demand for comprehensive benchmarks to evaluate their capabilities as human-like agents. Existing benchmarks, while useful, often focus on specific application scenarios, emphasizing task completion but failing to dissect the underlying skills that drive these outcomes. This lack of granularity makes it difficult to deeply discern where failures stem from. Additionally, setting up these environments requires considerable effort, and issues of unreliability and reproducibility sometimes arise, especially in interactive tasks. To address these limitations, we introduce the Massive Multitask Agent Understanding (MMAU) benchmark, featuring comprehensive offline tasks that eliminate the need for complex environment setups. It evaluates models across five domains, including teal{Tool-use}, teal{Directed Acyclic Graph (DAG) QA}, teal{Data Science and Machine Learning coding}, teal{Contest-level programming} and teal{Mathematics}, and covers five essential capabilities: orange{Understanding}, orange{Reasoning}, orange{Planning}, orange{Problem-solving}, and orange{Self-correction}. With a total of 20 meticulously designed tasks encompassing over 3K distinct prompts, MMAU provides a comprehensive framework for evaluating the strengths and limitations of LLM agents. By testing 18 representative models on MMAU, we provide deep and insightful analyses. Ultimately, MMAU not only sheds light on the capabilities and limitations of LLM agents but also enhances the interpretability of their performance. Datasets and evaluation scripts of MMAU are released at https://github.com/apple/axlearn/docs/research/mmau.

Recent years have witnessed a surge in the development of protein foundation models, significantly improving performance in protein prediction and generative tasks ranging from 3D structure prediction and protein design to conformational dynamics. However, the capabilities and limitations associated with these models remain poorly understood due to the absence of a unified evaluation framework. To fill this gap, we introduce ProteinBench, a holistic evaluation framework designed to enhance the transparency of protein foundation models. Our approach consists of three key components: (i) A taxonomic classification of tasks that broadly encompass the main challenges in the protein domain, based on the relationships between different protein modalities; (ii) A multi-metric evaluation approach that assesses performance across four key dimensions: quality, novelty, diversity, and robustness; and (iii) In-depth analyses from various user objectives, providing a holistic view of model performance. Our comprehensive evaluation of protein foundation models reveals several key findings that shed light on their current capabilities and limitations. To promote transparency and facilitate further research, we release the evaluation dataset, code, and a public leaderboard publicly for further analysis and a general modular toolkit. We intend for ProteinBench to be a living benchmark for establishing a standardized, in-depth evaluation framework for protein foundation models, driving their development and application while fostering collaboration within the field.

We present the Benchmark of Information Retrieval (IR) tasks with Complex Objectives (BIRCO). BIRCO evaluates the ability of IR systems to retrieve documents given multi-faceted user objectives. The benchmark's complexity and compact size make it suitable for evaluating large language model (LLM)-based information retrieval systems. We present a modular framework for investigating factors that may influence LLM performance on retrieval tasks, and identify a simple baseline model which matches or outperforms existing approaches and more complex alternatives. No approach achieves satisfactory performance on all benchmark tasks, suggesting that stronger models and new retrieval protocols are necessary to address complex user needs.

The ability to translate diverse patterns of inputs into structured patterns of behavior has been thought to rest on both humans' and machines' ability to learn robust representations of relevant concepts. The rapid advancement of transformer-based large language models (LLMs) has led to a diversity of computational ingredients -- architectures, fine tuning methods, and training datasets among others -- but it remains unclear which of these ingredients are most crucial for building models that develop human-like representations. Further, most current LLM benchmarks are not suited to measuring representational alignment between humans and models, making benchmark scores unreliable for assessing if current LLMs are making progress towards becoming useful cognitive models. We address these limitations by first evaluating a set of over 70 models that widely vary in their computational ingredients on a triplet similarity task, a method well established in the cognitive sciences for measuring human conceptual representations, using concepts from the THINGS database. Comparing human and model representations, we find that models that undergo instruction-finetuning and which have larger dimensionality of attention heads are among the most human aligned, while multimodal pretraining and parameter size have limited bearing on alignment. Correlations between alignment scores and scores on existing benchmarks reveal that while some benchmarks (e.g., MMLU) are better suited than others (e.g., MUSR) for capturing representational alignment, no existing benchmark is capable of fully accounting for the variance of alignment scores, demonstrating their insufficiency in capturing human-AI alignment. Taken together, our findings help highlight the computational ingredients most essential for advancing LLMs towards models of human conceptual representation and address a key benchmarking gap in LLM evaluation.

Various benchmarks have been proposed to assess the performance of large language models (LLMs) in different coding scenarios. We refer to them as code-related benchmarks. However, there are no systematic guidelines by which such a benchmark should be developed to ensure its quality, reliability, and reproducibility. We propose How2Bench, which is comprised of a 55- 55-criteria checklist as a set of guidelines to govern the development of code-related benchmarks comprehensively. Using HOW2BENCH, we profiled 274 benchmarks released within the past decade and found concerning issues. Nearly 70% of the benchmarks did not take measures for data quality assurance; over 10% did not even open source or only partially open source. Many highly cited benchmarks have loopholes, including duplicated samples, incorrect reference codes/tests/prompts, and unremoved sensitive/confidential information. Finally, we conducted a human study involving 49 participants, which revealed significant gaps in awareness of the importance of data quality, reproducibility, and transparency.

Large multimodal models (LMMs) have exhibited proficiencies across many visual tasks. Although numerous well-known benchmarks exist to evaluate model performance, they increasingly have insufficient headroom. As such, there is a pressing need for a new generation of benchmarks challenging enough for the next generation of LMMs. One area that LMMs show potential is graph analysis, specifically, the tasks an analyst might typically perform when interpreting figures such as estimating the mean, intercepts or correlations of functions and data series. In this work, we introduce GRAB, a graph analysis benchmark, fit for current and future frontier LMMs. Our benchmark is entirely synthetic, ensuring high-quality, noise-free questions. GRAB is comprised of 2170 questions, covering four tasks and 23 graph properties. We evaluate 20 LMMs on GRAB, finding it to be a challenging benchmark, with the highest performing model attaining a score of just 21.7%. Finally, we conduct various ablations to investigate where the models succeed and struggle. We release GRAB to encourage progress in this important, growing domain.

Advancements in LLMs have enhanced task automation in software engineering; however, current evaluations primarily focus on natural language tasks, overlooking code quality. Most benchmarks prioritize high-level reasoning over executable code and real-world performance, leaving gaps in understanding true capabilities and risks associated with these models in production. To address this issue, we propose MERA Code, a new addition to the MERA benchmark family, specifically focused on evaluating code for the latest code generation LLMs in Russian. This benchmark includes 11 evaluation tasks that span 8 programming languages. Our proposed evaluation methodology features a taxonomy that outlines the practical coding skills necessary for models to complete these tasks. The benchmark comprises an open-source codebase for users to conduct MERA assessments, a scoring system compatible with various programming environments, and a platform featuring a leaderboard and submission system. We evaluate open LLMs and frontier API models, analyzing their limitations in terms of practical coding tasks in non-English languages. We are publicly releasing MERA to guide future research, anticipate groundbreaking features in model development, and standardize evaluation procedures.

Current long-context benchmarks primarily focus on retrieval-based tests, requiring Large Language Models (LLMs) to locate specific information within extensive input contexts, such as the needle-in-a-haystack (NIAH) benchmark. Long-context generation refers to the ability of a language model to generate coherent and contextually accurate text that spans across lengthy passages or documents. While recent studies show strong performance on NIAH and other retrieval-based long-context benchmarks, there is a significant lack of benchmarks for evaluating long-context generation capabilities. To bridge this gap and offer a comprehensive assessment, we introduce a synthetic benchmark, LongGenBench, which allows for flexible configurations of customized generation context lengths. LongGenBench advances beyond traditional benchmarks by redesigning the format of questions and necessitating that LLMs respond with a single, cohesive long-context answer. Upon extensive evaluation using LongGenBench, we observe that: (1) both API accessed and open source models exhibit performance degradation in long-context generation scenarios, ranging from 1.2% to 47.1%; (2) different series of LLMs exhibit varying trends of performance degradation, with the Gemini-1.5-Flash model showing the least degradation among API accessed models, and the Qwen2 series exhibiting the least degradation in LongGenBench among open source models.

We present a benchmark dataset for evaluating method-level code generation task. The benchmark contains a dataset of 175 samples for automated evaluation and a dataset of 161 samples for manual evaluation. We also present a new metric for automatically evaluating the correctness of the generated code, and a set of criteria to manually evaluating the overall quality of the generated code.

Evaluations are limited by benchmark availability. As models evolve, there is a need to create benchmarks that can measure progress on new generative capabilities. However, creating new benchmarks through human annotations is slow and expensive, restricting comprehensive evaluations for any capability. We introduce BENCHAGENTS, a framework that methodically leverages large language models (LLMs) to automate benchmark creation for complex capabilities while inherently ensuring data and metric quality. BENCHAGENTS decomposes the benchmark creation process into planning, generation, data verification, and evaluation, each of which is executed by an LLM agent. These agents interact with each other and utilize human-in-the-loop feedback from benchmark developers to explicitly improve and flexibly control data diversity and quality. We use BENCHAGENTS to create benchmarks to evaluate capabilities related to planning and constraint satisfaction during text generation. We then use these benchmarks to study seven state-of-the-art models and extract new insights on common failure modes and model differences.

Deep generative diffusion models are a promising avenue for 3D de novo molecular design in materials science and drug discovery. However, their utility is still limited by suboptimal performance on large molecular structures and limited training data. To address this gap, we explore the design space of E(3)-equivariant diffusion models, focusing on previously unexplored areas. Our extensive comparative analysis evaluates the interplay between continuous and discrete state spaces. From this investigation, we present the EQGAT-diff model, which consistently outperforms established models for the QM9 and GEOM-Drugs datasets. Significantly, EQGAT-diff takes continuous atom positions, while chemical elements and bond types are categorical and uses time-dependent loss weighting, substantially increasing training convergence, the quality of generated samples, and inference time. We also showcase that including chemically motivated additional features like hybridization states in the diffusion process enhances the validity of generated molecules. To further strengthen the applicability of diffusion models to limited training data, we investigate the transferability of EQGAT-diff trained on the large PubChem3D dataset with implicit hydrogen atoms to target different data distributions. Fine-tuning EQGAT-diff for just a few iterations shows an efficient distribution shift, further improving performance throughout data sets. Finally, we test our model on the Crossdocked data set for structure-based de novo ligand generation, underlining the importance of our findings showing state-of-the-art performance on Vina docking scores.

We present SeePhys, a large-scale multimodal benchmark for LLM reasoning grounded in physics questions ranging from middle school to PhD qualifying exams. The benchmark covers 7 fundamental domains spanning the physics discipline, incorporating 21 categories of highly heterogeneous diagrams. In contrast to prior works where visual elements mainly serve auxiliary purposes, our benchmark features a substantial proportion of vision-essential problems (75\%) that mandate visual information extraction for correct solutions. Through extensive evaluation, we observe that even the most advanced visual reasoning models (e.g., Gemini-2.5-pro and o4-mini) achieve sub-60\% accuracy on our benchmark. These results reveal fundamental challenges in current large language models' visual understanding capabilities, particularly in: (i) establishing rigorous coupling between diagram interpretation and physics reasoning, and (ii) overcoming their persistent reliance on textual cues as cognitive shortcuts.

We present CRUXEval (Code Reasoning, Understanding, and eXecution Evaluation), a benchmark consisting of 800 Python functions (3-13 lines). Each function comes with an input-output pair, leading to two natural tasks: input prediction and output prediction. First, we propose a generic recipe for generating our execution benchmark which can be used to create future variation of the benchmark. Second, we evaluate twenty code models on our benchmark and discover that many recent high-scoring models on HumanEval do not show the same improvements on our benchmark. Third, we show that simple CoT and fine-tuning schemes can improve performance on our benchmark but remain far from solving it. The best setup, GPT-4 with chain of thought (CoT), achieves a pass@1 of 75% and 81% on input and output prediction, respectively. In contrast, Code Llama 34B achieves a pass@1 of 50% and 46% on input and output prediction, highlighting the gap between open and closed source models. As no model is close to acing CRUXEval, we provide examples of consistent GPT-4 failures on simple programs as a lens into its code reasoning capabilities and areas for improvement.

The choice of embedding model is a crucial step in the design of Retrieval Augmented Generation (RAG) systems. Given the sheer volume of available options, identifying clusters of similar models streamlines this model selection process. Relying solely on benchmark performance scores only allows for a weak assessment of model similarity. Thus, in this study, we evaluate the similarity of embedding models within the context of RAG systems. Our assessment is two-fold: We use Centered Kernel Alignment to compare embeddings on a pair-wise level. Additionally, as it is especially pertinent to RAG systems, we evaluate the similarity of retrieval results between these models using Jaccard and rank similarity. We compare different families of embedding models, including proprietary ones, across five datasets from the popular Benchmark Information Retrieval (BEIR). Through our experiments we identify clusters of models corresponding to model families, but interestingly, also some inter-family clusters. Furthermore, our analysis of top-k retrieval similarity reveals high-variance at low k values. We also identify possible open-source alternatives to proprietary models, with Mistral exhibiting the highest similarity to OpenAI models.

Benchmarks are essential for quantitatively tracking progress in AI. As AI agents become increasingly capable, researchers and practitioners have introduced agentic benchmarks to evaluate agents on complex, real-world tasks. These benchmarks typically measure agent capabilities by evaluating task outcomes via specific reward designs. However, we show that many agentic benchmarks have issues task setup or reward design. For example, SWE-bench Verified uses insufficient test cases, while TAU-bench counts empty responses as successful. Such issues can lead to under- or overestimation agents' performance by up to 100% in relative terms. To make agentic evaluation rigorous, we introduce the Agentic Benchmark Checklist (ABC), a set of guidelines that we synthesized from our benchmark-building experience, a survey of best practices, and previously reported issues. When applied to CVE-Bench, a benchmark with a particularly complex evaluation design, ABC reduces the performance overestimation by 33%.

This paper presents the first Swedish evaluation benchmark for textual semantic similarity. The benchmark is compiled by simply running the English STS-B dataset through the Google machine translation API. This paper discusses potential problems with using such a simple approach to compile a Swedish evaluation benchmark, including translation errors, vocabulary variation, and productive compounding. Despite some obvious problems with the resulting dataset, we use the benchmark to compare the majority of the currently existing Swedish text representations, demonstrating that native models outperform multilingual ones, and that simple bag of words performs remarkably well.

Existing function-calling benchmarks focus on single-turn interactions. However, they overlook the complexity of real-world scenarios. To quantify how existing benchmarks address practical applications, we introduce DICE-SCORE, a metric that evaluates the dispersion of tool-related information such as function name and parameter values throughout the dialogue. Analyzing existing benchmarks through DICE-SCORE reveals notably low scores, highlighting the need for more realistic scenarios. To address this gap, we present DICE-BENCH, a framework that constructs practical function-calling datasets by synthesizing conversations through a tool graph that maintains dependencies across rounds and a multi-agent system with distinct personas to enhance dialogue naturalness. The final dataset comprises 1,607 high-DICE-SCORE instances. Our experiments on 19 LLMs with DICE-BENCH show that significant advances are still required before such models can be deployed effectively in real-world settings. Our code and data are all publicly available: https://snuhcc.github.io/DICE-Bench/.

Large vision-language models have recently achieved remarkable progress, exhibiting great perception and reasoning abilities concerning visual information. However, how to effectively evaluate these large vision-language models remains a major obstacle, hindering future model development. Traditional benchmarks like VQAv2 or COCO Caption provide quantitative performance measurements but suffer from a lack of fine-grained ability assessment and non-robust evaluation metrics. Recent subjective benchmarks, such as OwlEval, offer comprehensive evaluations of a model's abilities by incorporating human labor, but they are not scalable and display significant bias. In response to these challenges, we propose MMBench, a novel multi-modality benchmark. MMBench methodically develops a comprehensive evaluation pipeline, primarily comprised of two elements. The first element is a meticulously curated dataset that surpasses existing similar benchmarks in terms of the number and variety of evaluation questions and abilities. The second element introduces a novel CircularEval strategy and incorporates the use of ChatGPT. This implementation is designed to convert free-form predictions into pre-defined choices, thereby facilitating a more robust evaluation of the model's predictions. MMBench is a systematically-designed objective benchmark for robustly evaluating the various abilities of vision-language models. We hope MMBench will assist the research community in better evaluating their models and encourage future advancements in this domain. Project page: https://opencompass.org.cn/mmbench.

While machine learning on graphs has demonstrated promise in drug design and molecular property prediction, significant benchmarking challenges hinder its further progress and relevance. Current benchmarking practices often lack focus on transformative, real-world applications, favoring narrow domains like two-dimensional molecular graphs over broader, impactful areas such as combinatorial optimization, relational databases, or chip design. Additionally, many benchmark datasets poorly represent the underlying data, leading to inadequate abstractions and misaligned use cases. Fragmented evaluations and an excessive focus on accuracy further exacerbate these issues, incentivizing overfitting rather than fostering generalizable insights. These limitations have prevented the development of truly useful graph foundation models. This position paper calls for a paradigm shift toward more meaningful benchmarks, rigorous evaluation protocols, and stronger collaboration with domain experts to drive impactful and reliable advances in graph learning research, unlocking the potential of graph learning.

Large language models (LLMs) have shown increasing capability in problem-solving and decision-making, largely based on the step-by-step chain-of-thought reasoning processes. However, it has been increasingly challenging to evaluate the reasoning capability of LLMs. Concretely, existing outcome-based benchmarks begin to saturate and become less sufficient to monitor the progress. To this end, we present a process-based benchmark MR-BEN that demands a meta reasoning skill, where LMs are asked to locate and analyse potential errors in automatically generated reasoning steps. MR-BEN is a comprehensive benchmark comprising 5,975 questions collected from human experts, covering various subjects such as physics, chemistry, logic, coding, and more. Through our designed metrics for assessing meta-reasoning on this benchmark, we identify interesting limitations and weaknesses of current LLMs (open-source and closed-source models). For example, open-source models are seemingly comparable to GPT-4 on outcome-based benchmarks, but they lag far behind on our benchmark, revealing the underlying reasoning capability gap between them. Our dataset and codes are available on https://randolph-zeng.github.io/Mr-Ben.github.io/.

Large language models (LLMs) exhibit advancing capabilities in complex tasks, such as reasoning and graduate-level question answering, yet their resilience against misuse, particularly involving scientifically sophisticated risks, remains underexplored. Existing safety benchmarks typically focus either on instructions requiring minimal knowledge comprehension (e.g., ``tell me how to build a bomb") or utilize prompts that are relatively low-risk (e.g., multiple-choice or classification tasks about hazardous content). Consequently, they fail to adequately assess model safety when handling knowledge-intensive, hazardous scenarios. To address this critical gap, we introduce SOSBench, a regulation-grounded, hazard-focused benchmark encompassing six high-risk scientific domains: chemistry, biology, medicine, pharmacology, physics, and psychology. The benchmark comprises 3,000 prompts derived from real-world regulations and laws, systematically expanded via an LLM-assisted evolutionary pipeline that introduces diverse, realistic misuse scenarios (e.g., detailed explosive synthesis instructions involving advanced chemical formulas). We evaluate frontier models within a unified evaluation framework using our SOSBench. Despite their alignment claims, advanced models consistently disclose policy-violating content across all domains, demonstrating alarmingly high rates of harmful responses (e.g., 79.1% for Deepseek-R1 and 47.3% for GPT-4.1). These results highlight significant safety alignment deficiencies and underscore urgent concerns regarding the responsible deployment of powerful LLMs.

When deploying large language models (LLMs), it is important to ensure that these models are not only capable, but also reliable. Many benchmarks have been created to track LLMs' growing capabilities, however there has been no similar focus on measuring their reliability. To understand the potential ramifications of this gap, we investigate how well current benchmarks quantify model reliability. We find that pervasive label errors can compromise these evaluations, obscuring lingering model failures and hiding unreliable behavior. Motivated by this gap in the evaluation of reliability, we then propose the concept of so-called platinum benchmarks, i.e., benchmarks carefully curated to minimize label errors and ambiguity. As a first attempt at constructing such benchmarks, we revise examples from fifteen existing popular benchmarks. We evaluate a wide range of models on these platinum benchmarks and find that, indeed, frontier LLMs still exhibit failures on simple tasks such as elementary-level math word problems. Analyzing these failures further reveals previously unidentified patterns of problems on which frontier models consistently struggle. We provide code at https://github.com/MadryLab/platinum-benchmarks

With the remarkable advancements of large language models (LLMs), LLM-based agents have become a research hotspot in human-computer interaction. However, there is a scarcity of benchmarks available for LLM-based mobile agents. Benchmarking these agents generally faces three main challenges: (1) The inefficiency of UI-only operations imposes limitations to task evaluation. (2) Specific instructions within a singular application lack adequacy for assessing the multi-dimensional reasoning and decision-making capacities of LLM mobile agents. (3) Current evaluation metrics are insufficient to accurately assess the process of sequential actions. To this end, we propose Mobile-Bench, a novel benchmark for evaluating the capabilities of LLM-based mobile agents. First, we expand conventional UI operations by incorporating 103 collected APIs to accelerate the efficiency of task completion. Subsequently, we collect evaluation data by combining real user queries with augmentation from LLMs. To better evaluate different levels of planning capabilities for mobile agents, our data is categorized into three distinct groups: SAST, SAMT, and MAMT, reflecting varying levels of task complexity. Mobile-Bench comprises 832 data entries, with more than 200 tasks specifically designed to evaluate multi-APP collaboration scenarios. Furthermore, we introduce a more accurate evaluation metric, named CheckPoint, to assess whether LLM-based mobile agents reach essential points during their planning and reasoning steps.

Existing benchmarks have proven effective for assessing the performance of fully trained large language models. However, we find striking differences in the early training stages of small models, where benchmarks often fail to provide meaningful or discriminative signals. To explore how these differences arise, this competition tackles the challenge of designing scientific knowledge evaluation tasks specifically tailored for measuring early training progress of language models. Participants are invited to develop novel evaluation methodologies or adapt existing benchmarks to better capture performance differences among language models. To support this effort, we provide three pre-trained small models (0.5B, 1B, and 3B parameters), along with intermediate checkpoints sampled during training up to 200B tokens. All experiments and development work can be run on widely available free cloud-based GPU platforms, making participation accessible to researchers with limited computational resources. Submissions will be evaluated based on three criteria: the quality of the performance signal they produce, the consistency of model rankings at 1 trillion tokens of training, and their relevance to the scientific knowledge domain. By promoting the design of tailored evaluation strategies for early training, this competition aims to attract a broad range of participants from various disciplines, including those who may not be machine learning experts or have access to dedicated GPU resources. Ultimately, this initiative seeks to make foundational LLM research more systematic and benchmark-informed from the earliest phases of model development.

DARTS search space (DSS) has become a canonical benchmark for NAS whereas some emerging works pointed out the issue of narrow accuracy range and claimed it would hurt the method ranking. We observe some recent studies already suffer from this issue that overshadows the meaning of scores. In this work, we first propose and orchestrate a suite of improvements to frame a larger and harder DSS, termed LHD, while retaining high efficiency in search. We step forward to renovate a LHD-based new benchmark, taking care of both discernibility and accessibility. Specifically, we re-implement twelve baselines and evaluate them across twelve conditions by combining two underexpolored influential factors: transductive robustness and discretization policy, to reasonably construct a benchmark upon multi-condition evaluation. Considering that the tabular benchmarks are always insufficient to adequately evaluate the methods of neural architecture search (NAS), our work can serve as a crucial basis for the future progress of NAS. https://github.com/chaoji90/LHD

The rapid evolution of language models has necessitated the development of more challenging benchmarks. Current static benchmarks often struggle to consistently distinguish between the capabilities of different models and fail to align with real-world user preferences. On the other hand, live crowd-sourced platforms like the Chatbot Arena collect a wide range of natural prompts and user feedback. However, these prompts vary in sophistication and the feedback cannot be applied offline to new models. In order to ensure that benchmarks keep up with the pace of LLM development, we address how one can evaluate benchmarks on their ability to confidently separate models and their alignment with human preference. Under these principles, we developed BenchBuilder, a living benchmark that filters high-quality prompts from live data sources to enable offline evaluation on fresh, challenging prompts. BenchBuilder identifies seven indicators of a high-quality prompt, such as the requirement for domain knowledge, and utilizes an LLM annotator to select a high-quality subset of prompts from various topic clusters. The LLM evaluation process employs an LLM judge to ensure a fully automated, high-quality, and constantly updating benchmark. We apply BenchBuilder on prompts from the Chatbot Arena to create Arena-Hard-Auto v0.1: 500 challenging user prompts from a wide range of tasks. Arena-Hard-Auto v0.1 offers 3x tighter confidence intervals than MT-Bench and achieves a state-of-the-art 89.1% agreement with human preference rankings, all at a cost of only $25 and without human labelers. The BenchBuilder pipeline enhances evaluation benchmarks and provides a valuable tool for developers, enabling them to extract high-quality benchmarks from extensive data with minimal effort.

Large Vision-Language Models (LVLMs) have made significant progress in the field of video understanding recently. However, current benchmarks uniformly lean on text prompts for evaluation, which often necessitate complex referential language and fail to provide precise spatial and temporal references. This limitation diminishes the experience and efficiency of human-model interaction. To address this limitation, we propose the Video Visual Prompt Benchmark(V2P-Bench), a comprehensive benchmark specifically designed to evaluate LVLMs' video understanding capabilities in multimodal human-model interaction scenarios. V2P-Bench includes 980 unique videos and 1,172 QA pairs, covering 5 main tasks and 12 dimensions, facilitating instance-level fine-grained understanding aligned with human cognition. Benchmarking results reveal that even the most powerful models perform poorly on V2P-Bench (65.4% for GPT-4o and 67.9% for Gemini-1.5-Pro), significantly lower than the human experts' 88.3%, highlighting the current shortcomings of LVLMs in understanding video visual prompts. We hope V2P-Bench will serve as a foundation for advancing multimodal human-model interaction and video understanding evaluation. Project page: https://github.com/gaotiexinqu/V2P-Bench.

The development of state-of-the-art systems in different applied areas of machine learning (ML) is driven by benchmarks, which have shaped the paradigm of evaluating generalisation capabilities from multiple perspectives. Although the paradigm is shifting towards more fine-grained evaluation across diverse tasks, the delicate question of how to aggregate the performances has received particular interest in the community. In general, benchmarks follow the unspoken utilitarian principles, where the systems are ranked based on their mean average score over task-specific metrics. Such aggregation procedure has been viewed as a sub-optimal evaluation protocol, which may have created the illusion of progress. This paper proposes Vote'n'Rank, a framework for ranking systems in multi-task benchmarks under the principles of the social choice theory. We demonstrate that our approach can be efficiently utilised to draw new insights on benchmarking in several ML sub-fields and identify the best-performing systems in research and development case studies. The Vote'n'Rank's procedures are more robust than the mean average while being able to handle missing performance scores and determine conditions under which the system becomes the winner.

Recently, the physical capabilities of (M)LLMs have garnered increasing attention. However, existing benchmarks for physics suffer from two major gaps: they neither provide systematic and up-to-date coverage of real-world physics competitions such as physics Olympiads, nor enable direct performance comparison with humans. To bridge these gaps, we present HiPhO, the first benchmark dedicated to high school physics Olympiads with human-aligned evaluation. Specifically, HiPhO highlights three key innovations. (1) Comprehensive Data: It compiles 13 latest Olympiad exams from 2024-2025, spanning both international and regional competitions, and covering mixed modalities that encompass problems spanning text-only to diagram-based. (2) Professional Evaluation: We adopt official marking schemes to perform fine-grained grading at both the answer and step level, fully aligned with human examiners to ensure high-quality and domain-specific evaluation. (3) Comparison with Human Contestants: We assign gold, silver, and bronze medals to models based on official medal thresholds, thereby enabling direct comparison between (M)LLMs and human contestants. Our large-scale evaluation of 30 state-of-the-art (M)LLMs shows that: across 13 exams, open-source MLLMs mostly remain at or below the bronze level; open-source LLMs show promising progress with occasional golds; closed-source reasoning MLLMs can achieve 6 to 12 gold medals; and most models still have a significant gap from full marks. These results highlight a substantial performance gap between open-source models and top students, the strong physical reasoning capabilities of closed-source reasoning models, and the fact that there is still significant room for improvement. HiPhO, as a rigorous, human-aligned, and Olympiad-focused benchmark for advancing multimodal physical reasoning, is open-source and available at https://github.com/SciYu/HiPhO.

With the growing reliance on automated code completion tools in software development, the need for robust evaluation benchmarks has become critical. However, existing benchmarks focus more on code generation tasks in function and class level and provide rich text description to prompt the model. By contrast, such descriptive prompt is commonly unavailable in real development and code completion can occur in wider range of situations such as in the middle of a function or a code block. These limitations makes the evaluation poorly align with the practical scenarios of code completion tools. In this paper, we propose RepoMasterEval, a novel benchmark for evaluating code completion models constructed from real-world Python and TypeScript repositories. Each benchmark datum is generated by masking a code snippet (ground truth) from one source code file with existing test suites. To improve test accuracy of model generated code, we employ mutation testing to measure the effectiveness of the test cases and we manually crafted new test cases for those test suites with low mutation score. Our empirical evaluation on 6 state-of-the-art models shows that test argumentation is critical in improving the accuracy of the benchmark and RepoMasterEval is able to report difference in model performance in real-world scenarios. The deployment of RepoMasterEval in a collaborated company for one month also revealed that the benchmark is useful to give accurate feedback during model training and the score is in high correlation with the model's performance in practice. Based on our findings, we call for the software engineering community to build more LLM benchmarks tailored for code generation tools taking the practical and complex development environment into consideration.

Fetching, which includes approaching, grasping, and retrieving, is a critical challenge for robot manipulation tasks. Existing methods primarily focus on table-top scenarios, which do not adequately capture the complexities of environments where both grasping and planning are essential. To address this gap, we propose a new benchmark FetchBench, featuring diverse procedural scenes that integrate both grasping and motion planning challenges. Additionally, FetchBench includes a data generation pipeline that collects successful fetch trajectories for use in imitation learning methods. We implement multiple baselines from the traditional sense-plan-act pipeline to end-to-end behavior models. Our empirical analysis reveals that these methods achieve a maximum success rate of only 20%, indicating substantial room for improvement. Additionally, we identify key bottlenecks within the sense-plan-act pipeline and make recommendations based on the systematic analysis.

Neural information retrieval (IR) systems have progressed rapidly in recent years, in large part due to the release of publicly available benchmarking tasks. Unfortunately, some dimensions of this progress are illusory: the majority of the popular IR benchmarks today focus exclusively on downstream task accuracy and thus conceal the costs incurred by systems that trade away efficiency for quality. Latency, hardware cost, and other efficiency considerations are paramount to the deployment of IR systems in user-facing settings. We propose that IR benchmarks structure their evaluation methodology to include not only metrics of accuracy, but also efficiency considerations such as a query latency and the corresponding cost budget for a reproducible hardware setting. For the popular IR benchmarks MS MARCO and XOR-TyDi, we show how the best choice of IR system varies according to how these efficiency considerations are chosen and weighed. We hope that future benchmarks will adopt these guidelines toward more holistic IR evaluation.

Large Language Models (LLMs) vary in their abilities on a range of tasks. Initiatives such as the Open LLM Leaderboard aim to quantify these differences with several large benchmarks (sets of test items to which an LLM can respond either correctly or incorrectly). However, high correlations within and between benchmark scores suggest that (1) there exists a small set of common underlying abilities that these benchmarks measure, and (2) items tap into redundant information and the benchmarks may thus be considerably compressed. We use data from n > 5000 LLMs to identify the most informative items of six benchmarks, ARC, GSM8K, HellaSwag, MMLU, TruthfulQA and WinoGrande (with d=28,632 items in total). From them we distill a sparse benchmark, metabench, that has less than 3% of the original size of all six benchmarks combined. This new sparse benchmark goes beyond point scores by yielding estimators of the underlying benchmark-specific abilities. We show that these estimators (1) can be used to reconstruct each original individual benchmark score with, on average, 1.5% root mean square error (RMSE), (2) reconstruct the original total score with 0.8% RMSE, and (3) have a single underlying common factor whose Spearman correlation with the total score is r = 0.93.

Frontier model progress is often measured by academic benchmarks, which offer a limited view of performance in real-world professional contexts. Existing evaluations often fail to assess open-ended, economically consequential tasks in high-stakes domains like Legal and Finance, where practical returns are paramount. To address this, we introduce Professional Reasoning Bench (PRBench), a realistic, open-ended, and difficult benchmark of real-world problems in Finance and Law. We open-source its 1,100 expert-authored tasks and 19,356 expert-curated criteria, making it, to our knowledge, the largest public, rubric-based benchmark for both legal and finance domains. We recruit 182 qualified professionals, holding JDs, CFAs, or 6+ years of experience, who contributed tasks inspired by their actual workflows. This process yields significant diversity, with tasks spanning 114 countries and 47 US jurisdictions. Our expert-curated rubrics are validated through a rigorous quality pipeline, including independent expert validation. Subsequent evaluation of 20 leading models reveals substantial room for improvement, with top scores of only 0.39 (Finance) and 0.37 (Legal) on our Hard subsets. We further catalog associated economic impacts of the prompts and analyze performance using human-annotated rubric categories. Our analysis shows that models with similar overall scores can diverge significantly on specific capabilities. Common failure modes include inaccurate judgments, a lack of process transparency and incomplete reasoning, highlighting critical gaps in their reliability for professional adoption.

The deployment of machine learning models in operational contexts represents a significant investment for any organisation. Consequently, the risk of these models being misappropriated by competitors needs to be addressed. In recent years, numerous proposals have been put forth to detect instances of model stealing. However, these proposals operate under implicit and disparate data and model access assumptions; as a consequence, it remains unclear how they can be effectively compared to one another. Our evaluation shows that a simple baseline that we introduce performs on par with existing state-of-the-art fingerprints, which, on the other hand, are much more complex. To uncover the reasons behind this intriguing result, this paper introduces a systematic approach to both the creation of model fingerprinting schemes and their evaluation benchmarks. By dividing model fingerprinting into three core components -- Query, Representation and Detection (QuRD) -- we are able to identify sim100 previously unexplored QuRD combinations and gain insights into their performance. Finally, we introduce a set of metrics to compare and guide the creation of more representative model stealing detection benchmarks. Our approach reveals the need for more challenging benchmarks and a sound comparison with baselines. To foster the creation of new fingerprinting schemes and benchmarks, we open-source our fingerprinting toolbox.

As language models improve and become capable of performing more complex tasks across modalities, evaluating them automatically becomes increasingly challenging. Developing strong and robust task-specific automatic metrics gets harder, and human-annotated test sets -- which are expensive to create -- saturate more quickly. A compelling alternative is to design reliable strategies to automate the creation of test data and evaluation, but previous attempts either rely on pre-existing data, or focus solely on individual tasks. We present Zero-shot Benchmarking (ZSB), a framework for creating high-quality benchmarks for any task by leveraging language models for both synthetic test data creation and evaluation. ZSB is simple and flexible: it requires only the creation of a prompt for data generation and one for evaluation; it is scalable to tasks and languages where collecting real-world data is costly or impractical; it is model-agnostic, allowing the creation of increasingly challenging benchmarks as models improve. To assess the effectiveness of our framework, we create benchmarks for five text-only tasks and a multi-modal one: general capabilities in four languages (English, Chinese, French, and Korean), translation, and general vision-language capabilities in English. We then rank a broad range of open and closed systems on our benchmarks. ZSB rankings consistently correlate strongly with human rankings, outperforming widely-adopted standard benchmarks. Through ablations, we find that strong benchmarks can be created with open models, and that judge model size and dataset variety are crucial drivers of performance. We release all our benchmarks, and code to reproduce our experiments and to produce new benchmarks.

AI agents hold the potential to revolutionize scientific productivity by automating literature reviews, replicating experiments, analyzing data, and even proposing new directions of inquiry; indeed, there are now many such agents, ranging from general-purpose "deep research" systems to specialized science-specific agents, such as AI Scientist and AIGS. Rigorous evaluation of these agents is critical for progress. Yet existing benchmarks fall short on several fronts: they (1) fail to provide holistic, product-informed measures of real-world use cases such as science research; (2) lack reproducible agent tools necessary for a controlled comparison of core agentic capabilities; (3) do not account for confounding variables such as model cost and tool access; (4) do not provide standardized interfaces for quick agent prototyping and evaluation; and (5) lack comprehensive baseline agents necessary to identify true advances. In response, we define principles and tooling for more rigorously benchmarking agents. Using these, we present AstaBench, a suite that provides the first holistic measure of agentic ability to perform scientific research, comprising 2400+ problems spanning the entire scientific discovery process and multiple scientific domains, and including many problems inspired by actual user requests to deployed Asta agents. Our suite comes with the first scientific research environment with production-grade search tools that enable controlled, reproducible evaluation, better accounting for confounders. Alongside, we provide a comprehensive suite of nine science-optimized classes of Asta agents and numerous baselines. Our extensive evaluation of 57 agents across 22 agent classes reveals several interesting findings, most importantly that despite meaningful progress on certain individual aspects, AI remains far from solving the challenge of science research assistance.

Existing benchmarks do not test language agents on their interaction with human users or ability to follow domain-specific rules, both of which are vital for deploying them in real world applications. We propose tau-bench, a benchmark emulating dynamic conversations between a user (simulated by language models) and a language agent provided with domain-specific API tools and policy guidelines. We employ an efficient and faithful evaluation process that compares the database state at the end of a conversation with the annotated goal state. We also propose a new metric (pass^k) to evaluate the reliability of agent behavior over multiple trials. Our experiments show that even state-of-the-art function calling agents (like gpt-4o) succeed on <50% of the tasks, and are quite inconsistent (pass^8 <25% in retail). Our findings point to the need for methods that can improve the ability of agents to act consistently and follow rules reliably.

We present and test the largest benchmark for vericoding, LLM-generation of formally verified code from formal specifications - in contrast to vibe coding, which generates potentially buggy code from a natural language description. Our benchmark contains 12,504 formal specifications, with 3,029 in Dafny, 2,334 in Verus/Rust and 7,141 in Lean. Of these, 6,174 are new unseen problems. We find vericoding success rates of 27% in Lean, 44% in Verus/Rust and 82% in Dafny using off-the-shelf LLMs. Adding natural-language descriptions does not significantly improve performance. We also find that LLM progress has improved progress on pure Dafny verification from 68% to 96% over the past year. The benchmark and vericoding results are shared at https://github.com/Beneficial-AI-Foundation/vericoding-benchmark

Deep Research Agents are a prominent category of LLM-based agents. By autonomously orchestrating multistep web exploration, targeted retrieval, and higher-order synthesis, they transform vast amounts of online information into analyst-grade, citation-rich reports--compressing hours of manual desk research into minutes. However, a comprehensive benchmark for systematically evaluating the capabilities of these agents remains absent. To bridge this gap, we present DeepResearch Bench, a benchmark consisting of 100 PhD-level research tasks, each meticulously crafted by domain experts across 22 distinct fields. Evaluating DRAs is inherently complex and labor-intensive. We therefore propose two novel methodologies that achieve strong alignment with human judgment. The first is a reference-based method with adaptive criteria to assess the quality of generated research reports. The other framework is introduced to evaluate DRA's information retrieval and collection capabilities by assessing its effective citation count and overall citation accuracy. We have open-sourced DeepResearch Bench and key components of these frameworks at https://github.com/Ayanami0730/deep_research_bench to accelerate the development of practical LLM-based agents.

We introduce WebGames, a comprehensive benchmark suite designed to evaluate general-purpose web-browsing AI agents through a collection of 50+ interactive challenges. These challenges are specifically crafted to be straightforward for humans while systematically testing the limitations of current AI systems across fundamental browser interactions, advanced input processing, cognitive tasks, workflow automation, and interactive entertainment. Our framework eliminates external dependencies through a hermetic testing environment, ensuring reproducible evaluation with verifiable ground-truth solutions. We evaluate leading vision-language models including GPT-4o, Claude Computer-Use, Gemini-1.5-Pro, and Qwen2-VL against human performance. Results reveal a substantial capability gap, with the best AI system achieving only 43.1% success rate compared to human performance of 95.7%, highlighting fundamental limitations in current AI systems' ability to handle common web interaction patterns that humans find intuitive. The benchmark is publicly available at webgames.convergence.ai, offering a lightweight, client-side implementation that facilitates rapid evaluation cycles. Through its modular architecture and standardized challenge specifications, WebGames provides a robust foundation for measuring progress in development of more capable web-browsing agents.

Methods of computational quantum chemistry provide accurate approximations of molecular properties crucial for computer-aided drug discovery and other areas of chemical science. However, high computational complexity limits the scalability of their applications. Neural network potentials (NNPs) are a promising alternative to quantum chemistry methods, but they require large and diverse datasets for training. This work presents a new dataset and benchmark called nabla^2DFT that is based on the nablaDFT. It contains twice as much molecular structures, three times more conformations, new data types and tasks, and state-of-the-art models. The dataset includes energies, forces, 17 molecular properties, Hamiltonian and overlap matrices, and a wavefunction object. All calculations were performed at the DFT level (omegaB97X-D/def2-SVP) for each conformation. Moreover, nabla^2DFT is the first dataset that contains relaxation trajectories for a substantial number of drug-like molecules. We also introduce a novel benchmark for evaluating NNPs in molecular property prediction, Hamiltonian prediction, and conformational optimization tasks. Finally, we propose an extendable framework for training NNPs and implement 10 models within it.

Evaluating the real-world applicability of large language models (LLMs) provides valuable insights for their development and use in software development tasks. Existing benchmarks often focus on standalone coding problems or specific libraries, overlooking multi-file, project-based scenarios and lacking a rigorous evaluation of consistency. The HackerRank-ASTRA Benchmark introduces project-based coding problems that mirror real-world scenarios. It evaluates model consistency through 32 runs (k = 32) and median standard deviation while incorporating taxonomy-level analysis to assess sub-skill capabilities. Initial evaluations on 65 problems show that the top three models -- o1, o1-preview, and Claude-3.5-Sonnet-1022 -- achieved comparable average scores of 75%, with no statistically significant differences in performance. Notably, Claude-3.5-Sonnet-1022 demonstrated the highest consistency across problems, with low variability (SD = 0.0497), which was statistically significant compared to other models, highlighting its reliability for real-world software development tasks.

Current medical retrieval benchmarks primarily emphasize lexical or shallow semantic similarity, overlooking the reasoning-intensive demands that are central to clinical decision-making. In practice, physicians often retrieve authoritative medical evidence to support diagnostic hypotheses. Such evidence typically aligns with an inferred diagnosis rather than the surface form of a patient's symptoms, leading to low lexical or semantic overlap between queries and relevant documents. To address this gap, we introduce R2MED, the first benchmark explicitly designed for reasoning-driven medical retrieval. It comprises 876 queries spanning three tasks: Q&A reference retrieval, clinical evidence retrieval, and clinical case retrieval. These tasks are drawn from five representative medical scenarios and twelve body systems, capturing the complexity and diversity of real-world medical information needs. We evaluate 15 widely-used retrieval systems on R2MED and find that even the best model achieves only 31.4 nDCG@10, demonstrating the benchmark's difficulty. Classical re-ranking and generation-augmented retrieval methods offer only modest improvements. Although large reasoning models improve performance via intermediate inference generation, the best results still peak at 41.4 nDCG@10. These findings underscore a substantial gap between current retrieval techniques and the reasoning demands of real clinical tasks. We release R2MED as a challenging benchmark to foster the development of next-generation medical retrieval systems with enhanced reasoning capabilities. Data and code are available at https://github.com/R2MED/R2MED

The large-scale training of multi-modal models on data scraped from the web has shown outstanding utility in infusing these models with the required world knowledge to perform effectively on multiple downstream tasks. However, one downside of scraping data from the web can be the potential sacrifice of the benchmarks on which the abilities of these models are often evaluated. To safeguard against test data contamination and to truly test the abilities of these foundation models we propose LiveXiv: A scalable evolving live benchmark based on scientific ArXiv papers. LiveXiv accesses domain-specific manuscripts at any given timestamp and proposes to automatically generate visual question-answer pairs (VQA). This is done without any human-in-the-loop, using the multi-modal content in the manuscripts, like graphs, charts, and tables. Moreover, we introduce an efficient evaluation approach that estimates the performance of all models on the evolving benchmark using evaluations of only a subset of models. This significantly reduces the overall evaluation cost. We benchmark multiple open and proprietary Large Multi-modal Models (LMMs) on the first version of our benchmark, showing its challenging nature and exposing the models true abilities, avoiding contamination. Lastly, in our commitment to high quality, we have collected and evaluated a manually verified subset. By comparing its overall results to our automatic annotations, we have found that the performance variance is indeed minimal (<2.5%). Our dataset is available online on HuggingFace, and our code will be available here.

Establishing fair and robust benchmarks is essential for evaluating intelligent code generation by large language models (LLMs). Our survey of 35 existing benchmarks uncovers three major imbalances: 85.7% focus on a single programming language; 94.3% target only function-level or statement-level tasks; and over 80% include fewer than ten test cases on average. To address these gaps, we propose MultiOOP, a multi-language object-oriented programming benchmark covering six popular languages (Python, PHP, C++, C#, Java, JavaScript) with 267 tasks per language. We design a translator that extends an existing single-language OOP benchmark and the pass@o metric to a multilingual setting. Moreover, we propose an automated framework for augmenting test cases to ensure the reliability of the evaluation results. We evaluate 14 mainstream LLMs under zero-shot prompting and report three key findings: 1) Substantial performance degradation: pass@1 scores on MultiOOP drop by up to 65.6 percentage points compared to function-level tasks (e.g., HumanEval). 2) Cross-language variability: GPT-4o mini achieves pass@1 of 48.06% in Python but only 0.12%-15.26% in other languages, indicating limited multilingual generalization. 3) Conceptual gaps: pass@o scores are consistently 1.1-19.2 points lower than pass@k, demonstrating that LLMs often generate executable code without fully capturing core OOP concepts. Our benchmark, metric extensions, and evaluation scripts will be publicly released to foster a more balanced and comprehensive assessment of LLMs in object-oriented code generation. Our code and data will be released at https://github.com/alphadl/OOP-eval and https://huggingface.co/datasets/codeai-dteam/MultiOOP respectively.

We introduce featom, an open source code that implements a high-order finite element solver for the radial Schr\"odinger, Dirac, and Kohn-Sham equations. The formulation accommodates various mesh types, such as uniform or exponential, and the convergence can be systematically controlled by increasing the number and/or polynomial order of the finite element basis functions. The Dirac equation is solved using a squared Hamiltonian approach to eliminate spurious states. To address the slow convergence of the kappa=pm1 states due to divergent derivatives at the origin, we incorporate known asymptotic forms into the solutions. We achieve a high level of accuracy (10^{-8} Hartree) for total energies and eigenvalues of heavy atoms such as uranium in both Schr\"odinger and Dirac Kohn-Sham solutions. We provide detailed convergence studies and computational parameters required to attain commonly required accuracies. Finally, we compare our results with known analytic results as well as the results of other methods. In particular, we calculate benchmark results for atomic numbers (Z) from 1 to 92, verifying current benchmarks. We demonstrate significant speedup compared to the state-of-the-art shooting solver dftatom. An efficient, modular Fortran 2008 implementation, is provided under an open source, permissive license, including examples and tests, wherein particular emphasis is placed on the independence (no global variables), reusability, and generality of the individual routines.

The increasing versatility of language models LMs has given rise to a new class of benchmarks that comprehensively assess a broad range of capabilities. Such benchmarks are associated with massive computational costs reaching thousands of GPU hours per model. However the efficiency aspect of these evaluation efforts had raised little discussion in the literature. In this work we present the problem of Efficient Benchmarking namely intelligently reducing the computation costs of LM evaluation without compromising reliability. Using the HELM benchmark as a test case we investigate how different benchmark design choices affect the computation-reliability tradeoff. We propose to evaluate the reliability of such decisions by using a new measure Decision Impact on Reliability DIoR for short. We find for example that the current leader on HELM may change by merely removing a low-ranked model from the benchmark and observe that a handful of examples suffice to obtain the correct benchmark ranking. Conversely a slightly different choice of HELM scenarios varies ranking widely. Based on our findings we outline a set of concrete recommendations for more efficient benchmark design and utilization practices leading to dramatic cost savings with minimal loss of benchmark reliability often reducing computation by x100 or more.

We present GeoGrid-Bench, a benchmark designed to evaluate the ability of foundation models to understand geo-spatial data in the grid structure. Geo-spatial datasets pose distinct challenges due to their dense numerical values, strong spatial and temporal dependencies, and unique multimodal representations including tabular data, heatmaps, and geographic visualizations. To assess how foundation models can support scientific research in this domain, GeoGrid-Bench features large-scale, real-world data covering 16 climate variables across 150 locations and extended time frames. The benchmark includes approximately 3,200 question-answer pairs, systematically generated from 8 domain expert-curated templates to reflect practical tasks encountered by human scientists. These range from basic queries at a single location and time to complex spatiotemporal comparisons across regions and periods. Our evaluation reveals that vision-language models perform best overall, and we provide a fine-grained analysis of the strengths and limitations of different foundation models in different geo-spatial tasks. This benchmark offers clearer insights into how foundation models can be effectively applied to geo-spatial data analysis and used to support scientific research.

Large reasoning models such as OpenAI o1 and DeepSeek-R1 have achieved remarkable performance in the domain of reasoning. A key component of their training is the incorporation of verifiable rewards within reinforcement learning (RL). However, existing reward benchmarks do not evaluate reference-based reward systems, leaving researchers with limited understanding of the accuracy of verifiers used in RL. In this paper, we introduce two benchmarks, VerifyBench and VerifyBench-Hard, designed to assess the performance of reference-based reward systems. These benchmarks are constructed through meticulous data collection and curation, followed by careful human annotation to ensure high quality. Current models still show considerable room for improvement on both VerifyBench and VerifyBench-Hard, especially smaller-scale models. Furthermore, we conduct a thorough and comprehensive analysis of evaluation results, offering insights for understanding and developing reference-based reward systems. Our proposed benchmarks serve as effective tools for guiding the development of verifier accuracy and the reasoning capabilities of models trained via RL in reasoning tasks.

Ensuring safe and effective use of AI requires understanding and anticipating its performance on novel tasks, from advanced scientific challenges to transformed workplace activities. So far, benchmarking has guided progress in AI, but it has offered limited explanatory and predictive power for general-purpose AI systems, given the low transferability across diverse tasks. In this paper, we introduce general scales for AI evaluation that can explain what common AI benchmarks really measure, extract ability profiles of AI systems, and predict their performance for new task instances, in- and out-of-distribution. Our fully-automated methodology builds on 18 newly-crafted rubrics that place instance demands on general scales that do not saturate. Illustrated for 15 large language models and 63 tasks, high explanatory power is unleashed from inspecting the demand and ability profiles, bringing insights on the sensitivity and specificity exhibited by different benchmarks, and how knowledge, metacognition and reasoning are affected by model size, chain-of-thought and distillation. Surprisingly, high predictive power at the instance level becomes possible using these demand levels, providing superior estimates over black-box baseline predictors based on embeddings or finetuning, especially in out-of-distribution settings (new tasks and new benchmarks). The scales, rubrics, battery, techniques and results presented here represent a major step for AI evaluation, underpinning the reliable deployment of AI in the years ahead. (Collaborative platform: https://kinds-of-intelligence-cfi.github.io/ADELE.)

The LLM Agent, equipped with a code interpreter, is capable of automatically solving real-world coding tasks, such as data analysis and image editing. However, existing benchmarks primarily focus on either simplistic tasks, such as completing a few lines of code, or on extremely complex and specific tasks at the repository level, neither of which are representative of various daily coding tasks. To address this gap, we introduce PyBench, a benchmark encompassing five main categories of real-world tasks, covering more than 10 types of files. Given a high-level user query and related files, the LLM Agent needs to reason and execute Python code via a code interpreter for a few turns before making a formal response to fulfill the user's requirements. Successfully addressing tasks in PyBench demands a robust understanding of various Python packages, superior reasoning capabilities, and the ability to incorporate feedback from executed code. Our evaluations indicate that current open-source LLMs are struggling with these tasks. Hence, we conduct analysis and experiments on four kinds of datasets proving that comprehensive abilities are needed for PyBench. Our fine-tuned 8B size model: PyLlama3 achieves an exciting performance on PyBench which surpasses many 33B and 70B size models. Our Benchmark, Training Dataset, and Model are available at: https://github.com/Mercury7353/PyBench{https://github.com/Mercury7353/PyBench}

We introduce MMBench-GUI, a hierarchical benchmark for evaluating GUI automation agents across Windows, macOS, Linux, iOS, Android, and Web platforms. It comprises four levels: GUI Content Understanding, Element Grounding, Task Automation, and Task Collaboration, covering essential skills for GUI agents. In addition, we propose a novel Efficiency-Quality Area (EQA) metric to assess GUI agent execution efficiency in online automation scenarios. Through MMBench-GUI, we identify accurate visual grounding as a critical determinant of overall task success, emphasizing the substantial benefits of modular frameworks that integrate specialized grounding modules. Furthermore, to achieve reliable GUI automation, an agent requires strong task planning and cross-platform generalization abilities, with long-context memory, a broad action space, and long-term reasoning playing a critical role. More important, task efficiency remains a critically underexplored dimension, and all models suffer from substantial inefficiencies, with excessive redundant steps even when tasks are ultimately completed. The integration of precise localization, effective planning, and early stopping strategies is indispensable to enable truly efficient and scalable GUI automation. Our benchmark code, evaluation data, and running environment will be publicly available at https://github.com/open-compass/MMBench-GUI.

Standardized benchmarks are crucial for the majority of computer vision applications. Although leaderboards and ranking tables should not be over-claimed, benchmarks often provide the most objective measure of performance and are therefore important guides for reseach. Recently, a new benchmark for Multiple Object Tracking, MOTChallenge, was launched with the goal of collecting existing and new data and creating a framework for the standardized evaluation of multiple object tracking methods. The first release of the benchmark focuses on multiple people tracking, since pedestrians are by far the most studied object in the tracking community. This paper accompanies a new release of the MOTChallenge benchmark. Unlike the initial release, all videos of MOT16 have been carefully annotated following a consistent protocol. Moreover, it not only offers a significant increase in the number of labeled boxes, but also provides multiple object classes beside pedestrians and the level of visibility for every single object of interest.

A well-formulated benchmark plays a critical role in spurring advancements in the natural language processing (NLP) field, as it allows objective and precise evaluation of diverse models. As modern language models (LMs) have become more elaborate and sophisticated, more difficult benchmarks that require linguistic knowledge and reasoning have been proposed. However, most of these benchmarks only support English, and great effort is necessary to construct benchmarks for other low resource languages. To this end, we propose a new benchmark named Korean balanced evaluation of significant tasks (KoBEST), which consists of five Korean-language downstream tasks. Professional Korean linguists designed the tasks that require advanced Korean linguistic knowledge. Moreover, our data is purely annotated by humans and thoroughly reviewed to guarantee high data quality. We also provide baseline models and human performance results. Our dataset is available on the Huggingface.

In recent years, with the rapid development of the depth and breadth of large language models' capabilities, various corresponding evaluation benchmarks have been emerging in increasing numbers. As a quantitative assessment tool for model performance, benchmarks are not only a core means to measure model capabilities but also a key element in guiding the direction of model development and promoting technological innovation. We systematically review the current status and development of large language model benchmarks for the first time, categorizing 283 representative benchmarks into three categories: general capabilities, domain-specific, and target-specific. General capability benchmarks cover aspects such as core linguistics, knowledge, and reasoning; domain-specific benchmarks focus on fields like natural sciences, humanities and social sciences, and engineering technology; target-specific benchmarks pay attention to risks, reliability, agents, etc. We point out that current benchmarks have problems such as inflated scores caused by data contamination, unfair evaluation due to cultural and linguistic biases, and lack of evaluation on process credibility and dynamic environments, and provide a referable design paradigm for future benchmark innovation.

Tables and table-based use cases play a crucial role in many important real-world applications, such as spreadsheets, databases, and computational notebooks, which traditionally require expert-level users like data engineers, data analysts, and database administrators to operate. Although LLMs have shown remarkable progress in working with tables (e.g., in spreadsheet and database copilot scenarios), comprehensive benchmarking of such capabilities remains limited. In contrast to an extensive and growing list of NLP benchmarks, evaluations of table-related tasks are scarce, and narrowly focus on tasks like NL-to-SQL and Table-QA, overlooking the broader spectrum of real-world tasks that professional users face. This gap limits our understanding and model progress in this important area. In this work, we introduce MMTU, a large-scale benchmark with over 30K questions across 25 real-world table tasks, designed to comprehensively evaluate models ability to understand, reason, and manipulate real tables at the expert-level. These tasks are drawn from decades' worth of computer science research on tabular data, with a focus on complex table tasks faced by professional users. We show that MMTU require a combination of skills -- including table understanding, reasoning, and coding -- that remain challenging for today's frontier models, where even frontier reasoning models like OpenAI o4-mini and DeepSeek R1 score only around 60%, suggesting significant room for improvement. We highlight key findings in our evaluation using MMTU and hope that this benchmark drives further advances in understanding and developing foundation models for structured data processing and analysis. Our code and data are available at https://github.com/MMTU-Benchmark/MMTU and https://huggingface.co/datasets/MMTU-benchmark/MMTU.

While the field of Quality-Diversity (QD) has grown into a distinct branch of stochastic optimization, a few problems, in particular locomotion and navigation tasks, have become de facto standards. Are such benchmarks sufficient? Are they representative of the key challenges faced by QD algorithms? Do they provide the ability to focus on one particular challenge by properly disentangling it from others? Do they have much predictive power in terms of scalability and generalization? Existing benchmarks are not standardized, and there is currently no MNIST equivalent for QD. Inspired by recent works on Reinforcement Learning benchmarks, we argue that the identification of challenges faced by QD methods and the development of targeted, challenging, scalable but affordable benchmarks is an important step. As an initial effort, we identify three problems that are challenging in sparse reward settings, and propose associated benchmarks: (1) Behavior metric bias, which can result from the use of metrics that do not match the structure of the behavior space. (2) Behavioral Plateaus, with varying characteristics, such that escaping them would require adaptive QD algorithms and (3) Evolvability Traps, where small variations in genotype result in large behavioral changes. The environments that we propose satisfy the properties listed above.

Large Language Models (LLMs) and LLM-based agents show great promise in accelerating scientific research. Existing benchmarks for measuring this potential and guiding future development continue to evolve from pure recall and rote knowledge tasks, towards more practical work such as literature review and experimental planning. Bioinformatics is a domain where fully autonomous AI-driven discovery may be near, but no extensive benchmarks for measuring progress have been introduced to date. We therefore present the Bioinformatics Benchmark (BixBench), a dataset comprising over 50 real-world scenarios of practical biological data analysis with nearly 300 associated open-answer questions designed to measure the ability of LLM-based agents to explore biological datasets, perform long, multi-step analytical trajectories, and interpret the nuanced results of those analyses. We evaluate the performance of two frontier LLMs (GPT-4o and Claude 3.5 Sonnet) using a custom agent framework we open source. We find that even the latest frontier models only achieve 17% accuracy in the open-answer regime, and no better than random in a multiple-choice setting. By exposing the current limitations of frontier models, we hope BixBench can spur the development of agents capable of conducting rigorous bioinformatic analysis and accelerate scientific discovery.

Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.

Recent advancements in large language models (LLM) capable of processing extremely long texts highlight the need for a dedicated evaluation benchmark to assess their long-context capabilities. However, existing methods, like the needle-in-a-haystack test, do not effectively assess whether these models fully utilize contextual information, raising concerns about the reliability of current evaluation techniques. To thoroughly examine the effectiveness of existing benchmarks, we introduce a new metric called information coverage (IC), which quantifies the proportion of the input context necessary for answering queries. Our findings indicate that current benchmarks exhibit low IC; although the input context may be extensive, the actual usable context is often limited. To address this, we present ETHIC, a novel benchmark designed to assess LLMs' ability to leverage the entire context. Our benchmark comprises 2,648 test instances spanning four long-context tasks with high IC scores in the domains of books, debates, medicine, and law. Our evaluations reveal significant performance drops in contemporary LLMs, highlighting a critical challenge in managing long contexts. Our benchmark is available at https://github.com/dmis-lab/ETHIC.

The GitHub issue resolution task aims to resolve issues reported in repositories automatically. With advances in large language models (LLMs), this task has gained increasing attention, and several benchmarks are proposed to evaluate the issue resolution ability of LLMs. However, existing benchmarks have three main limitations. First, current benchmarks focus on a single programming language, limiting the evaluation of issues from repositories across different languages. Second, they usually cover a narrow range of domains, which may fail to represent the diversity of real-world issues. Third, existing benchmarks rely solely on textual information in issue descriptions, overlooking multimodal information such as images in issues. In this paper, we propose OmniGIRL, a GitHub Issue ResoLution benchmark that is multilingual, multimodal, and multi-domain. OmniGIRL includes 959 task instances, which are collected from repositories across four programming languages (i.e., Python, JavaScript, TypeScript, and Java) and eight different domains. Our evaluation shows that current LLMs show limited performances on OmniGIRL. Notably, the best-performing model, GPT-4o, resolves only 8.6% of the issues. Besides, we find that current LLMs struggle to resolve issues requiring understanding images. The best performance is achieved by Claude-3.5-Sonnet, which resolves only 10.5% of the issues with image information. Finally, we analyze the reasons behind current LLMs' failure on OmniGIRL, providing insights for future improvements.

Automated issue solving aims to resolve real-world issues in software repositories. The most popular benchmarks for automated issue solving are SWE-bench and its human-filtered subset SWE-bench Verified. These benchmarks leverage testing to validate generated patches. However, because testing is rarely exhaustive, a patch may pass the tests but nevertheless fail to match the developers' expectations. Unfortunately, it is currently unclear to what extent evaluations performed with SWE-bench suffer from such plausible but incorrect patches. This paper presents an in-depth empirical study of the correctness of plausible patches generated by three state-of-the-art issue-solving tools evaluated on SWE-bench Verified. We extensively test and inspect generated patches, and compare them against human-written ground truth patches. The core of our methodology is a novel technique PatchDiff for differential patch testing, which automatically exposes behavioral discrepancies between two patches. Our findings reveal critical weaknesses in SWE-bench's patch validation mechanism, which causes 7.8% of all patches to count as correct while failing the developer-written test suite. Moreover, our novel automated technique reveals that even more (29.6%) plausible patches induce different behavior than the ground truth patches. These behavioral differences are often due to similar, but divergent implementations (46.8%) and due to generated patches that adapt more behavior than the ground truth patches (27.3%). Our manual inspection shows that 28.6% of behaviorally divergent patches are certainly incorrect. Combined, the different weaknesses lead to an inflation of reported resolution rates by 6.2 absolute percent points. Our findings are a call to arms for more robust and reliable evaluation of issue-solving tools. We envision our automated differential patch testing technique to be useful for this purpose.

In the shipping industry, fuel consumption and emissions are critical factors due to their significant impact on economic efficiency and environmental sustainability. Accurate prediction of ship fuel consumption is essential for further optimization of maritime operations. However, heterogeneous methodologies and limited high-quality datasets hinder direct comparison of modeling approaches. This paper makes three key contributions: (1) we introduce and release a new dataset (https://huggingface.co/datasets/krohnedigital/FuelCast) comprising operational and environmental data from three ships; (2) we define a standardized benchmark covering tabular regression and time-series regression (3) we investigate the application of in-context learning for ship consumption modeling using the TabPFN foundation model - a first in this domain to our knowledge. Our results demonstrate strong performance across all evaluated models, supporting the feasibility of onboard, data-driven fuel prediction. Models incorporating environmental conditions consistently outperform simple polynomial baselines relying solely on vessel speed. TabPFN slightly outperforms other techniques, highlighting the potential of foundation models with in-context learning capabilities for tabular prediction. Furthermore, including temporal context improves accuracy.

Evaluating the scientific discovery capabilities of large language model based agents, particularly how they cope with varying environmental complexity and utilize prior knowledge, requires specialized benchmarks currently lacking in the landscape. To address this gap, we introduce PhysGym, a novel benchmark suite and simulation platform for rigorously assessing LLM-based scientific reasoning in interactive physics environments. PhysGym's primary contribution lies in its sophisticated control over the level of prior knowledge provided to the agent. This allows researchers to dissect agent performance along axes including the complexity of the problem and the prior knowledge levels. The benchmark comprises a suite of interactive simulations, where agents must actively probe environments, gather data sequentially under constraints and formulate hypotheses about underlying physical laws. PhysGym provides standardized evaluation protocols and metrics for assessing hypothesis accuracy and model fidelity. We demonstrate the benchmark's utility by presenting results from baseline LLMs, showcasing its ability to differentiate capabilities based on varying priors and task complexity.

Graphical user interface (GUI) grounding, the ability to map natural language instructions to specific actions on graphical user interfaces, remains a critical bottleneck in computer use agent development. Current benchmarks oversimplify grounding tasks as short referring expressions, failing to capture the complexity of real-world interactions that require software commonsense, layout understanding, and fine-grained manipulation capabilities. To address these limitations, we introduce OSWorld-G, a comprehensive benchmark comprising 564 finely annotated samples across diverse task types including text matching, element recognition, layout understanding, and precise manipulation. Additionally, we synthesize and release the largest computer use grounding dataset Jedi, which contains 4 million examples through multi-perspective decoupling of tasks. Our multi-scale models trained on Jedi demonstrate its effectiveness by outperforming existing approaches on ScreenSpot-v2, ScreenSpot-Pro, and our OSWorld-G. Furthermore, we demonstrate that improved grounding with Jedi directly enhances agentic capabilities of general foundation models on complex computer tasks, improving from 5% to 27% on OSWorld. Through detailed ablation studies, we identify key factors contributing to grounding performance and verify that combining specialized data for different interface elements enables compositional generalization to novel interfaces. All benchmark, data, checkpoints, and code are open-sourced and available at https://osworld-grounding.github.io.

We describe WebSuite, the first diagnostic benchmark for generalist web agents, designed to systematically evaluate why agents fail. Advances in AI have led to the rise of numerous web agents that autonomously operate a browser to complete tasks. However, most existing benchmarks focus on strictly measuring whether an agent can or cannot complete a task, without giving insight on why. In this paper, we 1) develop a taxonomy of web actions to facilitate identifying common failure patterns, and 2) create an extensible benchmark suite to assess agents' performance on our taxonomized actions. This benchmark suite consists of both individual tasks, such as clicking a button, and end-to-end tasks, such as adding an item to a cart, and is designed such that any failure of a task can be attributed directly to a failure of a specific web action. We evaluate two popular generalist web agents, one text-based and one multimodal, and identify unique weaknesses for each agent. Because WebSuite can disaggregate task failures into specific action failures, this enables granular identification of which UX flows an individual agent has trouble with and immediately highlights promising avenues for improvement. These findings highlight the need for more focused benchmarking on where web agents go wrong to effectively improve agents beyond their weaker performance today.

Large Language Model (LLM) leaderboards based on benchmark rankings are regularly used to guide practitioners in model selection. Often, the published leaderboard rankings are taken at face value - we show this is a (potentially costly) mistake. Under existing leaderboards, the relative performance of LLMs is highly sensitive to (often minute) details. We show that for popular multiple choice question benchmarks (e.g. MMLU) minor perturbations to the benchmark, such as changing the order of choices or the method of answer selection, result in changes in rankings up to 8 positions. We explain this phenomenon by conducting systematic experiments over three broad categories of benchmark perturbations and identifying the sources of this behavior. Our analysis results in several best-practice recommendations, including the advantage of a hybrid scoring method for answer selection. Our study highlights the dangers of relying on simple benchmark evaluations and charts the path for more robust evaluation schemes on the existing benchmarks.

A database of images of approximately 960 unique plants belonging to 12 species at several growth stages is made publicly available. It comprises annotated RGB images with a physical resolution of roughly 10 pixels per mm. To standardise the evaluation of classification results obtained with the database, a benchmark based on f_{1} scores is proposed. The dataset is available at https://vision.eng.au.dk/plant-seedlings-dataset

Recent advancements have seen Large Language Models (LLMs) and Large Multimodal Models (LMMs) surpassing general human capabilities in various tasks, approaching the proficiency level of human experts across multiple domains. With traditional benchmarks becoming less challenging for these models, new rigorous challenges are essential to gauge their advanced abilities. In this work, we present OlympiadBench, an Olympiad-level bilingual multimodal scientific benchmark, featuring 8,476 problems from Olympiad-level mathematics and physics competitions, including the Chinese college entrance exam. Each problem is detailed with expert-level annotations for step-by-step reasoning. Evaluating top-tier models on OlympiadBench, we implement a comprehensive assessment methodology to accurately evaluate model responses. Notably, the best-performing model, GPT-4V, attains an average score of 17.97% on OlympiadBench, with a mere 10.74% in physics, highlighting the benchmark rigor and the intricacy of physical reasoning. Our analysis orienting GPT-4V points out prevalent issues with hallucinations, knowledge omissions, and logical fallacies. We hope that our challenging benchmark can serve as a valuable resource for helping future AGI research endeavors. The data and evaluation code are available at https://github.com/OpenBMB/OlympiadBench

Nowadays, the fields of code and natural language processing are evolving rapidly. In particular, models become better at processing long context windows - supported context sizes have increased by orders of magnitude over the last few years. However, there is a shortage of benchmarks for code processing that go beyond a single file of context, while the most popular ones are limited to a single method. With this work, we aim to close this gap by introducing Long Code Arena, a suite of six benchmarks for code processing tasks that require project-wide context. These tasks cover different aspects of code processing: library-based code generation, CI builds repair, project-level code completion, commit message generation, bug localization, and module summarization. For each task, we provide a manually verified dataset for testing, an evaluation suite, and open-source baseline solutions based on popular LLMs to showcase the usage of the dataset and to simplify adoption by other researchers. We publish the benchmark page on HuggingFace Spaces with the leaderboard, links to HuggingFace Hub for all the datasets, and link to the GitHub repository with baselines: https://huggingface.co/spaces/JetBrains-Research/long-code-arena.

As large language models (LLMs) continue to advance in linguistic capabilities, robust multilingual evaluation has become essential for promoting equitable technological progress. This position paper examines over 2,000 multilingual (non-English) benchmarks from 148 countries, published between 2021 and 2024, to evaluate past, present, and future practices in multilingual benchmarking. Our findings reveal that, despite significant investments amounting to tens of millions of dollars, English remains significantly overrepresented in these benchmarks. Additionally, most benchmarks rely on original language content rather than translations, with the majority sourced from high-resource countries such as China, India, Germany, the UK, and the USA. Furthermore, a comparison of benchmark performance with human judgments highlights notable disparities. STEM-related tasks exhibit strong correlations with human evaluations (0.70 to 0.85), while traditional NLP tasks like question answering (e.g., XQuAD) show much weaker correlations (0.11 to 0.30). Moreover, translating English benchmarks into other languages proves insufficient, as localized benchmarks demonstrate significantly higher alignment with local human judgments (0.68) than their translated counterparts (0.47). This underscores the importance of creating culturally and linguistically tailored benchmarks rather than relying solely on translations. Through this comprehensive analysis, we highlight six key limitations in current multilingual evaluation practices, propose the guiding principles accordingly for effective multilingual benchmarking, and outline five critical research directions to drive progress in the field. Finally, we call for a global collaborative effort to develop human-aligned benchmarks that prioritize real-world applications.

Large Language Models (LLMs) have been gaining increasing attention and demonstrated promising performance across a variety of Software Engineering (SE) tasks, such as Automated Program Repair (APR), code summarization, and code completion. For example, ChatGPT, the latest black-box LLM, has been investigated by numerous recent research studies and has shown impressive performance in various tasks. However, there exists a potential risk of data leakage since these LLMs are usually close-sourced with unknown specific training details, e.g., pre-training datasets. In this paper, we seek to review the bug-fixing capabilities of ChatGPT on a clean APR benchmark with different research objectives. We first introduce {\benchmark}, a new benchmark with buggy and the corresponding fixed programs from competitive programming problems starting from 2023, after the training cutoff point of ChatGPT. The results on {\benchmark} show that ChatGPT is able to fix 109 out of 151 buggy programs using the basic prompt within 35 independent rounds, outperforming state-of-the-art LLMs CodeT5 and PLBART by 27.5\% and 62.4\% prediction accuracy. We also investigate the impact of three types of prompts, i.e., problem description, error feedback, and bug localization, leading to additional 34 fixed bugs. Besides, we provide additional discussion from the interactive nature of ChatGPT to illustrate the capacity of a dialog-based repair workflow with 9 additional fixed bugs. Inspired by the findings, we further pinpoint various challenges and opportunities for advanced SE study equipped with such LLMs (e.g.,~ChatGPT) in the near future. More importantly, our work calls for more research on the reevaluation of the achievements obtained by existing black-box LLMs across various SE tasks, not limited to ChatGPT on APR.

Deep reinforcement learning (RL) algorithms are predominantly evaluated by comparing their relative performance on a large suite of tasks. Most published results on deep RL benchmarks compare point estimates of aggregate performance such as mean and median scores across tasks, ignoring the statistical uncertainty implied by the use of a finite number of training runs. Beginning with the Arcade Learning Environment (ALE), the shift towards computationally-demanding benchmarks has led to the practice of evaluating only a small number of runs per task, exacerbating the statistical uncertainty in point estimates. In this paper, we argue that reliable evaluation in the few run deep RL regime cannot ignore the uncertainty in results without running the risk of slowing down progress in the field. We illustrate this point using a case study on the Atari 100k benchmark, where we find substantial discrepancies between conclusions drawn from point estimates alone versus a more thorough statistical analysis. With the aim of increasing the field's confidence in reported results with a handful of runs, we advocate for reporting interval estimates of aggregate performance and propose performance profiles to account for the variability in results, as well as present more robust and efficient aggregate metrics, such as interquartile mean scores, to achieve small uncertainty in results. Using such statistical tools, we scrutinize performance evaluations of existing algorithms on other widely used RL benchmarks including the ALE, Procgen, and the DeepMind Control Suite, again revealing discrepancies in prior comparisons. Our findings call for a change in how we evaluate performance in deep RL, for which we present a more rigorous evaluation methodology, accompanied with an open-source library rliable, to prevent unreliable results from stagnating the field.

We introduce SpreadsheetBench, a challenging spreadsheet manipulation benchmark exclusively derived from real-world scenarios, designed to immerse current large language models (LLMs) in the actual workflow of spreadsheet users. Unlike existing benchmarks that rely on synthesized queries and simplified spreadsheet files, SpreadsheetBench is built from 912 real questions gathered from online Excel forums, which reflect the intricate needs of users. The associated spreadsheets from the forums contain a variety of tabular data such as multiple tables, non-standard relational tables, and abundant non-textual elements. Furthermore, we propose a more reliable evaluation metric akin to online judge platforms, where multiple spreadsheet files are created as test cases for each instruction, ensuring the evaluation of robust solutions capable of handling spreadsheets with varying values. Our comprehensive evaluation of various LLMs under both single-round and multi-round inference settings reveals a substantial gap between the state-of-the-art (SOTA) models and human performance, highlighting the benchmark's difficulty.

Modern science emerged from reasoning over repeatedly-observed planetary motions. We present Gravity-Bench-v1, an environment-based benchmark that challenges AI agents on tasks that parallel this historical development. Gravity-Bench-v1 evaluates agents on the discovery of physics concealed within a dynamic environment, using rigorous gravitational dynamics simulations. Gravity-Bench includes out-of-distribution cases, i.e. with physics that deviates from the real world, to evaluate true scientific generalization capabilities. Agents must plan to collect data within an experimental budget and must perform a dynamic form of data analysis and reasoning to solve tasks efficiently. Our benchmark admits an open-ended space of solutions. PhD-level solutions for each task are provided, to calibrate AI performance against human expertise. Technically at an upper-undergraduate level, our benchmark proves challenging to baseline AI agents. Gravity-Bench-v1 and planned extensions should help map out AI progress towards scientific discovery capabilities.

Benchmarks shape scientific conclusions about model capabilities and steer model development. This creates a feedback loop: stronger benchmarks drive better models, and better models demand more discriminative benchmarks. Ensuring benchmark reliability is therefore essential for trustworthy evaluation and meaningful progress. In this work, we study benchmark reliability from a distributional perspective and introduce benchmark harmony, which measures how uniformly a model's performance is distributed across the subdomains of a benchmark. We posit that high harmony is a desirable benchmark property, indicating that the aggregate metric reflects uniform competence across subdomains. Across 19 multiple-choice benchmarks and five model families, we map each benchmark onto a mean-variance plane of harmony computed across models, where high mean and low variance signal more reliable evaluation. Our analysis shows that less harmonious benchmarks can give misleading results, since overall accuracy may be disproportionately influenced by specific subdomains. For instance, ARC-Easy is overwhelmed by questions on Biological Concepts, overshadowing other critical subdomains such as Geography, Physics, Chemistry, and Environmental Science. By recommending that harmony should be reported alongside accuracy, we reframe evaluation from simple performance averages to a more robust, distributionally reliable measurement of performance.

Text-to-SQL benchmarks play a crucial role in evaluating the progress made in the field and the ranking of different models. However, accurately matching a model-generated SQL query to a reference SQL query in a benchmark fails for various reasons, such as underspecified natural language queries, inherent assumptions in both model-generated and reference queries, and the non-deterministic nature of SQL output under certain conditions. In this paper, we conduct an extensive study of several prominent cross-domain text-to-SQL benchmarks and re-evaluate some of the top-performing models within these benchmarks, by both manually evaluating the SQL queries and rewriting them in equivalent expressions. Our evaluation reveals that attaining a perfect performance on these benchmarks is unfeasible due to the multiple interpretations that can be derived from the provided samples. Furthermore, we find that the true performance of the models is underestimated and their relative performance changes after a re-evaluation. Most notably, our evaluation reveals a surprising discovery: a recent GPT4-based model surpasses the gold standard reference queries in the Spider benchmark in our human evaluation. This finding highlights the importance of interpreting benchmark evaluations cautiously, while also acknowledging the critical role of additional independent evaluations in driving advancements in the field.

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug design and reaction engineering, remains untapped. Current benchmarks focus on simple knowledge retrieval, neglecting step-by-step reasoning required for complex tasks such as molecular optimization and reaction prediction. To address this, we introduce ChemCoTBench, a reasoning framework that bridges molecular structure understanding with arithmetic-inspired operations, including addition, deletion, and substitution, to formalize chemical problem-solving into transparent, step-by-step workflows. By treating molecular transformations as modular "chemical operations", the framework enables slow-thinking reasoning, mirroring the logic of mathematical proofs while grounding solutions in real-world chemical constraints. We evaluate models on two high-impact tasks: Molecular Property Optimization and Chemical Reaction Prediction. These tasks mirror real-world challenges while providing structured evaluability. By providing annotated datasets, a reasoning taxonomy, and baseline evaluations, ChemCoTBench bridges the gap between abstract reasoning methods and practical chemical discovery, establishing a foundation for advancing LLMs as tools for AI-driven scientific innovation.

While large language models (LLMs) have shown considerable promise in code generation, real-world software development demands advanced repository-level reasoning. This includes understanding dependencies, project structures, and managing multi-file changes. However, the ability of LLMs to effectively comprehend and handle complex code repositories has yet to be fully explored. To address challenges, we introduce a hierarchical benchmark designed to evaluate repository dependency understanding (DependEval). Benchmark is based on 15,576 repositories collected from real-world websites. It evaluates models on three core tasks: Dependency Recognition, Repository Construction, and Multi-file Editing, across 8 programming languages from actual code repositories. Our evaluation of over 25 LLMs reveals substantial performance gaps and provides valuable insights into repository-level code understanding.

Protein-ligand binding affinity prediction is essential for drug discovery and toxicity assessment. While machine learning (ML) promises fast and accurate predictions, its progress is constrained by the availability of reliable data. In contrast, physics-based methods such as absolute binding free energy perturbation (AB-FEP) deliver high accuracy but are computationally prohibitive for high-throughput applications. To bridge this gap, we introduce ToxBench, the first large-scale AB-FEP dataset designed for ML development and focused on a single pharmaceutically critical target, Human Estrogen Receptor Alpha (ERalpha). ToxBench contains 8,770 ERalpha-ligand complex structures with binding free energies computed via AB-FEP with a subset validated against experimental affinities at 1.75 kcal/mol RMSE, along with non-overlapping ligand splits to assess model generalizability. Using ToxBench, we further benchmark state-of-the-art ML methods, and notably, our proposed DualBind model, which employs a dual-loss framework to effectively learn the binding energy function. The benchmark results demonstrate the superior performance of DualBind and the potential of ML to approximate AB-FEP at a fraction of the computational cost.

Complex reasoning tasks often rely on the ability to consistently and accurately apply simple rules across incremental steps, a foundational capability which we term "level-0" reasoning. To systematically evaluate this capability, we introduce L0-Bench, a language model benchmark for testing procedural correctness -- the ability to generate correct reasoning processes, complementing existing benchmarks that primarily focus on outcome correctness. Given synthetic Python functions with simple operations, L0-Bench grades models on their ability to generate step-by-step, error-free execution traces. The synthetic nature of L0-Bench enables systematic and scalable generation of test programs along various axes (e.g., number of trace steps). We evaluate a diverse array of recent closed-source and open-weight models on a baseline test set. All models exhibit degradation as the number of target trace steps increases, while larger models and reasoning-enhanced models better maintain correctness over multiple steps. Additionally, we use L0-Bench to explore test-time scaling along three dimensions: input context length, number of solutions for majority voting, and inference steps. Our results suggest substantial room to improve "level-0" reasoning and potential directions to build more reliable reasoning systems.

Evaluation benchmarks are the cornerstone of measuring capabilities of large language models (LLMs), as well as driving progress in said capabilities. Originally designed to make claims about capabilities (or lack thereof) in fully pretrained models, evaluation benchmarks are now also extensively used to decide between various training choices. Despite this widespread usage, we rarely quantify the variance in our evaluation benchmarks, which dictates whether differences in performance are meaningful. Here, we define and measure a range of metrics geared towards measuring variance in evaluation benchmarks, including seed variance across initialisations, and monotonicity during training. By studying a large number of models -- both openly available and pretrained from scratch -- we provide empirical estimates for a variety of variance metrics, with considerations and recommendations for practitioners. We also evaluate the utility and tradeoffs of continuous versus discrete performance measures and explore options for better understanding and reducing this variance. We find that simple changes, such as framing choice tasks (like MMLU) as completion tasks, can often reduce variance for smaller scale (sim7B) models, while more involved methods inspired from human testing literature (such as item analysis and item response theory) struggle to meaningfully reduce variance. Overall, our work provides insights into variance in evaluation benchmarks, suggests LM-specific techniques to reduce variance, and more generally encourages practitioners to carefully factor in variance when comparing models.

We propose a novel text-to-video (T2V) generation benchmark, ChronoMagic-Bench, to evaluate the temporal and metamorphic capabilities of the T2V models (e.g. Sora and Lumiere) in time-lapse video generation. In contrast to existing benchmarks that focus on the visual quality and textual relevance of generated videos, ChronoMagic-Bench focuses on the model's ability to generate time-lapse videos with significant metamorphic amplitude and temporal coherence. The benchmark probes T2V models for their physics, biology, and chemistry capabilities, in a free-form text query. For these purposes, ChronoMagic-Bench introduces 1,649 prompts and real-world videos as references, categorized into four major types of time-lapse videos: biological, human-created, meteorological, and physical phenomena, which are further divided into 75 subcategories. This categorization comprehensively evaluates the model's capacity to handle diverse and complex transformations. To accurately align human preference with the benchmark, we introduce two new automatic metrics, MTScore and CHScore, to evaluate the videos' metamorphic attributes and temporal coherence. MTScore measures the metamorphic amplitude, reflecting the degree of change over time, while CHScore assesses the temporal coherence, ensuring the generated videos maintain logical progression and continuity. Based on the ChronoMagic-Bench, we conduct comprehensive manual evaluations of ten representative T2V models, revealing their strengths and weaknesses across different categories of prompts, and providing a thorough evaluation framework that addresses current gaps in video generation research. Moreover, we create a large-scale ChronoMagic-Pro dataset, containing 460k high-quality pairs of 720p time-lapse videos and detailed captions ensuring high physical pertinence and large metamorphic amplitude.

Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a critical and labor-intensive component -- remains underexplored. As the major workhorse of computational science over the past decades, Computational Fluid Dynamics (CFD) offers a uniquely challenging testbed for evaluating the scientific capabilities of LLMs. We introduce CFDLLMBench, a benchmark suite comprising three complementary components -- CFDQuery, CFDCodeBench, and FoamBench -- designed to holistically evaluate LLM performance across three key competencies: graduate-level CFD knowledge, numerical and physical reasoning of CFD, and context-dependent implementation of CFD workflows. Grounded in real-world CFD practices, our benchmark combines a detailed task taxonomy with a rigorous evaluation framework to deliver reproducible results and quantify LLM performance across code executability, solution accuracy, and numerical convergence behavior. CFDLLMBench establishes a solid foundation for the development and evaluation of LLM-driven automation of numerical experiments for complex physical systems. Code and data are available at https://github.com/NREL-Theseus/cfdllmbench/.

Data-driven modeling of fluid dynamics has advanced rapidly with neural PDE solvers, yet a fair and strong benchmark remains fragmented due to the absence of unified PDE datasets and standardized evaluation protocols. Although architectural innovations are abundant, fair assessment is further impeded by the lack of clear disentanglement between spatial, temporal and loss modules. In this paper, we introduce FD-Bench, the first fair, modular, comprehensive and reproducible benchmark for data-driven fluid simulation. FD-Bench systematically evaluates 85 baseline models across 10 representative flow scenarios under a unified experimental setup. It provides four key contributions: (1) a modular design enabling fair comparisons across spatial, temporal, and loss function modules; (2) the first systematic framework for direct comparison with traditional numerical solvers; (3) fine-grained generalization analysis across resolutions, initial conditions, and temporal windows; and (4) a user-friendly, extensible codebase to support future research. Through rigorous empirical studies, FD-Bench establishes the most comprehensive leaderboard to date, resolving long-standing issues in reproducibility and comparability, and laying a foundation for robust evaluation of future data-driven fluid models. The code is open-sourced at https://anonymous.4open.science/r/FD-Bench-15BC.

Benchmarks for large multimodal language models (MLMs) now serve to simultaneously assess the general capabilities of models instead of evaluating for a specific capability. As a result, when a developer wants to identify which models to use for their application, they are overwhelmed by the number of benchmarks and remain uncertain about which benchmark's results are most reflective of their specific use case. This paper introduces Task-Me-Anything, a benchmark generation engine which produces a benchmark tailored to a user's needs. Task-Me-Anything maintains an extendable taxonomy of visual assets and can programmatically generate a vast number of task instances. Additionally, it algorithmically addresses user queries regarding MLM performance efficiently within a computational budget. It contains 113K images, 10K videos, 2K 3D object assets, over 365 object categories, 655 attributes, and 335 relationships. It can generate 750M image/video question-answering pairs, which focus on evaluating MLM perceptual capabilities. Task-Me-Anything reveals critical insights: open-source MLMs excel in object and attribute recognition but lack spatial and temporal understanding; each model exhibits unique strengths and weaknesses; larger models generally perform better, though exceptions exist; and GPT4o demonstrates challenges in recognizing rotating/moving objects and distinguishing colors.

In many Reinforcement Learning (RL) papers, learning curves are useful indicators to measure the effectiveness of RL algorithms. However, the complete raw data of the learning curves are rarely available. As a result, it is usually necessary to reproduce the experiments from scratch, which can be time-consuming and error-prone. We present Open RL Benchmark, a set of fully tracked RL experiments, including not only the usual data such as episodic return, but also all algorithm-specific and system metrics. Open RL Benchmark is community-driven: anyone can download, use, and contribute to the data. At the time of writing, more than 25,000 runs have been tracked, for a cumulative duration of more than 8 years. Open RL Benchmark covers a wide range of RL libraries and reference implementations. Special care is taken to ensure that each experiment is precisely reproducible by providing not only the full parameters, but also the versions of the dependencies used to generate it. In addition, Open RL Benchmark comes with a command-line interface (CLI) for easy fetching and generating figures to present the results. In this document, we include two case studies to demonstrate the usefulness of Open RL Benchmark in practice. To the best of our knowledge, Open RL Benchmark is the first RL benchmark of its kind, and the authors hope that it will improve and facilitate the work of researchers in the field.

We introduce VisIT-Bench (Visual InsTruction Benchmark), a benchmark for evaluation of instruction-following vision-language models for real-world use. Our starting point is curating 70 'instruction families' that we envision instruction tuned vision-language models should be able to address. Extending beyond evaluations like VQAv2 and COCO, tasks range from basic recognition to game playing and creative generation. Following curation, our dataset comprises 592 test queries, each with a human-authored instruction-conditioned caption. These descriptions surface instruction-specific factors, e.g., for an instruction asking about the accessibility of a storefront for wheelchair users, the instruction-conditioned caption describes ramps/potential obstacles. These descriptions enable 1) collecting human-verified reference outputs for each instance; and 2) automatic evaluation of candidate multimodal generations using a text-only LLM, aligning with human judgment. We quantify quality gaps between models and references using both human and automatic evaluations; e.g., the top-performing instruction-following model wins against the GPT-4 reference in just 27% of the comparison. VisIT-Bench is dynamic to participate, practitioners simply submit their model's response on the project website; Data, code and leaderboard is available at visit-bench.github.io.

How well do AI systems perform in algorithm engineering for hard optimization problems in domains such as package-delivery routing, crew scheduling, factory production planning, and power-grid balancing? We introduce ALE-Bench, a new benchmark for evaluating AI systems on score-based algorithmic programming contests. Drawing on real tasks from the AtCoder Heuristic Contests, ALE-Bench presents optimization problems that are computationally hard and admit no known exact solution. Unlike short-duration, pass/fail coding benchmarks, ALE-Bench encourages iterative solution refinement over long time horizons. Our software framework supports interactive agent architectures that leverage test-run feedback and visualizations. Our evaluation of frontier LLMs revealed that while they demonstrate high performance on specific problems, a notable gap remains compared to humans in terms of consistency across problems and long-horizon problem-solving capabilities. This highlights the need for this benchmark to foster future AI advancements.

Machine learning (ML) models are only as good as the data they are trained on. But recent studies have found datasets widely used to train and evaluate ML models, e.g. ImageNet, to have pervasive labeling errors. Erroneous labels on the train set hurt ML models' ability to generalize, and they impact evaluation and model selection using the test set. Consequently, learning in the presence of labeling errors is an active area of research, yet this field lacks a comprehensive benchmark to evaluate these methods. Most of these methods are evaluated on a few computer vision datasets with significant variance in the experimental protocols. With such a large pool of methods and inconsistent evaluation, it is also unclear how ML practitioners can choose the right models to assess label quality in their data. To this end, we propose a benchmarking environment AQuA to rigorously evaluate methods that enable machine learning in the presence of label noise. We also introduce a design space to delineate concrete design choices of label error detection models. We hope that our proposed design space and benchmark enable practitioners to choose the right tools to improve their label quality and that our benchmark enables objective and rigorous evaluation of machine learning tools facing mislabeled data.

The advent of large language models (LLMs) has unlocked great opportunities in complex data management tasks, particularly in question answering (QA) over complicated multi-table relational data. Despite significant progress, systematically evaluating LLMs on multi-table QA remains a critical challenge due to the inherent complexity of analyzing heterogeneous table structures and potential large scale of serialized relational data. Existing benchmarks primarily focus on single-table QA, failing to capture the intricacies of reasoning across multiple relational tables, as required in real-world domains such as finance, healthcare, and e-commerce. To address this gap, we present TQA-Bench, a new multi-table QA benchmark designed to evaluate the capabilities of LLMs in tackling complex QA tasks over relational data. Our benchmark incorporates diverse relational database instances sourced from real-world public datasets and introduces a flexible sampling mechanism to create tasks with varying multi-table context lengths, ranging from 8K to 64K tokens. To ensure robustness and reliability, we integrate symbolic extensions into the evaluation framework, enabling the assessment of LLM reasoning capabilities beyond simple data retrieval or probabilistic pattern matching. We systematically evaluate a range of LLMs, both open-source and closed-source, spanning model scales from 7 billion to 70 billion parameters. Our extensive experiments reveal critical insights into the performance of LLMs in multi-table QA, highlighting both challenges and opportunities for advancing their application in complex, data-driven environments. Our benchmark implementation and results are available at https://github.com/Relaxed-System-Lab/TQA-Bench.

The recent application of LLMs to the legal field has spurred the creation of benchmarks across various jurisdictions and languages. However, no benchmark has yet been specifically designed for the Portuguese legal system. In this work, we present LegalBench.PT, the first comprehensive legal benchmark covering key areas of Portuguese law. To develop LegalBench.PT, we first collect long-form questions and answers from real law exams, and then use GPT-4o to convert them into multiple-choice, true/false, and matching formats. Once generated, the questions are filtered and processed to improve the quality of the dataset. To ensure accuracy and relevance, we validate our approach by having a legal professional review a sample of the generated questions. Although the questions are synthetically generated, we show that their basis in human-created exams and our rigorous filtering and processing methods applied result in a reliable benchmark for assessing LLMs' legal knowledge and reasoning abilities. Finally, we evaluate the performance of leading LLMs on LegalBench.PT and investigate potential biases in GPT-4o's responses. We also assess the performance of Portuguese lawyers on a sample of questions to establish a baseline for model comparison and validate the benchmark.

Large language models (LLMs) are increasingly integral as productivity assistants, but existing benchmarks fall short in rigorously evaluating their real-world instruction-following capabilities. Current benchmarks often (i) lack sufficient multilinguality, (ii) fail to capture the implicit constraints inherent in user requests, and (iii) overlook the complexities of multi-turn dialogue. To address these critical gaps and provide a more realistic assessment, we introduce TRUEBench (Trustworthy Real-world Usage Evaluation Benchmark)1, a novel benchmark specifically designed for LLM-based productivity assistants. TRUEBench distinguishes itself by featuring input prompts across 12 languages, incorporating intra-instance multilingual instructions, employing rigorous evaluation criteria to capture both explicit and implicit constraints, and including complex multi-turn dialogue scenarios with both accumulating constraints and context switches. Furthermore, to ensure reliability in evaluation, we refined constraints using an LLM validator. Extensive experiments demonstrate that TRUEBench presents significantly greater challenges than existing benchmarks; for instance, a strong model like OpenAI o1 achieved only a 69.07% overall pass rate. TRUEBench offers a demanding and realistic assessment of LLMs in practical productivity settings, highlighting their capabilities and limitations.

Current benchmarks for evaluating Vision Language Models (VLMs) often fall short in thoroughly assessing model abilities to understand and process complex visual and textual content. They typically focus on simple tasks that do not require deep reasoning or the integration of multiple data modalities to solve an original problem. To address this gap, we introduce the PARROT-360V Benchmark, a novel and comprehensive benchmark featuring 2487 challenging visual puzzles designed to test VLMs on complex visual reasoning tasks. We evaluated leading models: GPT-4o, Claude-3.5-Sonnet, and Gemini-1.5-Pro, using PARROT-360V to assess their capabilities in combining visual clues with language skills to solve tasks in a manner akin to human problem-solving. Our findings reveal a notable performance gap: state-of-the-art models scored between 28 to 56 percentage on our benchmark, significantly lower than their performance on popular benchmarks. This underscores the limitations of current VLMs in handling complex, multi-step reasoning tasks and highlights the need for more robust evaluation frameworks to advance the field.

LLMs have become the go-to choice for code generation tasks, with an exponential increase in the training, development, and usage of LLMs specifically for code generation. To evaluate the ability of LLMs on code, both academic and industry practitioners rely on popular handcrafted benchmarks. However, prior benchmarks contain only a very limited set of problems, both in quantity and variety. Further, due to popularity and age, many benchmarks are prone to data leakage where example solutions can be readily found on the web and thus potentially in training data. Such limitations inevitably lead us to inquire: Is the leaderboard performance on existing benchmarks reliable and comprehensive enough to measure the program synthesis ability of LLMs? To address this, we introduce EvoEval -- a program synthesis benchmark suite created by evolving existing benchmarks into different targeted domains for a comprehensive evaluation of LLM coding abilities. Our study on 51 LLMs shows that compared to the high performance obtained on standard benchmarks like HumanEval, there is a significant drop in performance (on average 39.4%) when using EvoEval. Additionally, the decrease in performance can range from 19.6% to 47.7%, leading to drastic ranking changes amongst LLMs and showing potential overfitting of existing benchmarks. Furthermore, we showcase various insights, including the brittleness of instruction-following models when encountering rewording or subtle changes as well as the importance of learning problem composition and decomposition. EvoEval not only provides comprehensive benchmarks, but can be used to further evolve arbitrary problems to keep up with advances and the ever-changing landscape of LLMs for code. We have open-sourced our benchmarks, tools, and complete LLM generations at https://github.com/evo-eval/evoeval

Entity resolution (record linkage, microclustering) systems are notoriously difficult to evaluate. Looking for a needle in a haystack, traditional evaluation methods use sophisticated, application-specific sampling schemes to find matching pairs of records among an immense number of non-matches. We propose an alternative that facilitates the creation of representative, reusable benchmark data sets without necessitating complex sampling schemes. These benchmark data sets can then be used for model training and a variety of evaluation tasks. Specifically, we propose an entity-centric data labeling methodology that integrates with a unified framework for monitoring summary statistics, estimating key performance metrics such as cluster and pairwise precision and recall, and analyzing root causes for errors. We validate the framework in an application to inventor name disambiguation and through simulation studies. Software: https://github.com/OlivierBinette/er-evaluation/

We introduce PHYSICS, a comprehensive benchmark for university-level physics problem solving. It contains 1297 expert-annotated problems covering six core areas: classical mechanics, quantum mechanics, thermodynamics and statistical mechanics, electromagnetism, atomic physics, and optics. Each problem requires advanced physics knowledge and mathematical reasoning. We develop a robust automated evaluation system for precise and reliable validation. Our evaluation of leading foundation models reveals substantial limitations. Even the most advanced model, o3-mini, achieves only 59.9% accuracy, highlighting significant challenges in solving high-level scientific problems. Through comprehensive error analysis, exploration of diverse prompting strategies, and Retrieval-Augmented Generation (RAG)-based knowledge augmentation, we identify key areas for improvement, laying the foundation for future advancements.

Robotic dexterous grasping is important for interacting with the environment. To unleash the potential of data-driven models for dexterous grasping, a large-scale, high-quality dataset is essential. While gradient-based optimization offers a promising way for constructing such datasets, previous works suffer from limitations, such as inefficiency, strong assumptions in the grasp quality energy, or limited object sets for experiments. Moreover, the lack of a standard benchmark for comparing different methods and datasets hinders progress in this field. To address these challenges, we develop a highly efficient synthesis system and a comprehensive benchmark with MuJoCo for dexterous grasping. We formulate grasp synthesis as a bilevel optimization problem, combining a novel lower-level quadratic programming (QP) with an upper-level gradient descent process. By leveraging recent advances in CUDA-accelerated robotic libraries and GPU-based QP solvers, our system can parallelize thousands of grasps and synthesize over 49 grasps per second on a single 3090 GPU. Our synthesized grasps for Shadow, Allegro, and Leap hands all achieve a success rate above 75% in simulation, with a penetration depth under 1 mm, outperforming existing baselines on nearly all metrics. Compared to the previous large-scale dataset, DexGraspNet, our dataset significantly improves the performance of learning models, with a success rate from around 40% to 80% in simulation. Real-world testing of the trained model on the Shadow Hand achieves an 81% success rate across 20 diverse objects. The codes and datasets are released on our project page: https://pku-epic.github.io/BODex.

Large language models (LLMs) becomes the dominant paradigm for the challenging task of text-to-SQL. LLM-empowered text-to-SQL methods are typically categorized into prompting-based and tuning approaches. Compared to prompting-based methods, benchmarking fine-tuned LLMs for text-to-SQL is important yet under-explored, partially attributed to the prohibitively high computational cost. In this paper, we present DB-GPT-Hub, an open benchmark suite for LLM-empowered text-to-SQL, which primarily focuses on tuning LLMs at large scales. The proposed benchmark consists of: 1. a standardized and comprehensive evaluation of text-to-SQL tasks by fine-tuning medium to large-sized open LLMs; 2. a modularized and easy-to-extend codebase with mainstream LLMs and experimental scenarios supported, which prioritizes fine-tuning methods but can be easily extended to prompt-based setting. Our work investigates the potential gains and the performance boundaries of tuning approaches, compared to prompting approaches and explores optimal solutions tailored to specific scenarios. We hope DB-GPT-Hub, along with these findings, enables further research and broad applications that would otherwise be difficult owing to the absence of a dedicated open benchmark. The project code has been released at https://github.com/eosphoros-ai/DB-GPT-Hub.

While vision-language models (VLMs) have made remarkable progress on many popular visual question answering (VQA) benchmarks, it remains unclear whether they abstract and reason over depicted objects. Inspired by human object categorisation, object property reasoning involves identifying and recognising low-level details and higher-level abstractions. While current VQA benchmarks consider a limited set of object property attributes like size, they typically blend perception and reasoning, and lack representativeness in terms of reasoning and image categories. To this end, we introduce a systematic evaluation framework with images of three representative types, three reasoning levels of increasing complexity, and four object property dimensions driven by prior work on commonsense reasoning. We develop a procedure to instantiate this benchmark into ORBIT, a multi-level reasoning VQA benchmark for object properties comprising 360 images paired with a total of 1,080 count-based questions. Experiments with 12 state-of-the-art VLMs in zero-shot settings reveal significant limitations compared to humans, with the best-performing model only reaching 40\% accuracy. VLMs struggle particularly with realistic (photographic) images, counterfactual reasoning about physical and functional properties, and higher counts. ORBIT points to the need to develop methods for scalable benchmarking, generalize annotation guidelines, and explore additional reasoning VLMs. We make the ORBIT benchmark and the experimental code available to support such endeavors.

Vision-language models demonstrate unprecedented performance and generalization across a wide range of tasks and scenarios. Integrating these foundation models into robotic navigation systems opens pathways toward building general-purpose robots. Yet, evaluating these models' navigation capabilities remains constrained by costly real-world trials, overly simplified simulations, and limited benchmarks. We introduce NaviTrace, a high-quality Visual Question Answering benchmark where a model receives an instruction and embodiment type (human, legged robot, wheeled robot, bicycle) and must output a 2D navigation trace in image space. Across 1000 scenarios and more than 3000 expert traces, we systematically evaluate eight state-of-the-art VLMs using a newly introduced semantic-aware trace score. This metric combines Dynamic Time Warping distance, goal endpoint error, and embodiment-conditioned penalties derived from per-pixel semantics and correlates with human preferences. Our evaluation reveals consistent gap to human performance caused by poor spatial grounding and goal localization. NaviTrace establishes a scalable and reproducible benchmark for real-world robotic navigation. The benchmark and leaderboard can be found at https://leggedrobotics.github.io/navitrace_webpage/.

Layout-guided text-to-image models offer greater control over the generation process by explicitly conditioning image synthesis on the spatial arrangement of elements. As a result, their adoption has increased in many computer vision applications, ranging from content creation to synthetic data generation. A critical challenge is achieving precise alignment between the image, textual prompt, and layout, ensuring semantic fidelity and spatial accuracy. Although recent benchmarks assess text alignment, layout alignment remains overlooked, and no existing benchmark jointly evaluates both. This gap limits the ability to evaluate a model's spatial fidelity, which is crucial when using layout-guided generation for synthetic data, as errors can introduce noise and degrade data quality. In this work, we introduce 7Bench, the first benchmark to assess both semantic and spatial alignment in layout-guided text-to-image generation. It features text-and-layout pairs spanning seven challenging scenarios, investigating object generation, color fidelity, attribute recognition, inter-object relationships, and spatial control. We propose an evaluation protocol that builds on existing frameworks by incorporating the layout alignment score to assess spatial accuracy. Using 7Bench, we evaluate several state-of-the-art diffusion models, uncovering their respective strengths and limitations across diverse alignment tasks. The benchmark is available at https://github.com/Elizzo/7Bench.

We introduce CompareBench, a benchmark for evaluating visual comparison reasoning in vision-language models (VLMs), a fundamental yet understudied skill. CompareBench consists of 1000 QA pairs across four tasks: quantity (600), temporal (100), geometric (200), and spatial (100). It is derived from two auxiliary datasets that we constructed: TallyBench (2000 counting images with QA) and HistCaps (515 historical images with bilingual captions). We evaluate both closed-source APIs (OpenAI, Gemini, Claude) and open-source models (Qwen2.5-VL and Qwen3-VL series). Results show clear scaling trends but also reveal critical limitations: even the strongest models consistently fail at temporal ordering and spatial relations, and they often make mistakes in basic counting and geometric comparisons that are trivial for humans. These findings demonstrate that visual comparison remains a systematic blind spot for current VLMs. By providing controlled, diverse, and diagnostic evaluation, CompareBench establishes a foundation for advancing more reliable multimodal reasoning.

VIP navigation requires multiple DNN models for identification, posture analysis, and depth estimation to ensure safe mobility. Using a hazard vest as a unique identifier enhances visibility while selecting the right DNN model and computing device balances accuracy and real-time performance. We present Ocularone-Bench, which is a benchmark suite designed to address the lack of curated datasets for uniquely identifying individuals in crowded environments and the need for benchmarking DNN inference times on resource-constrained edge devices. The suite evaluates the accuracy-latency trade-offs of YOLO models retrained on this dataset and benchmarks inference times of situation awareness models across edge accelerators and high-end GPU workstations. Our study on NVIDIA Jetson devices and RTX 4090 workstation demonstrates significant improvements in detection accuracy, achieving up to 99.4% precision, while also providing insights into real-time feasibility for mobile deployment. Beyond VIP navigation, Ocularone-Bench is applicable to senior citizens, children and worker safety monitoring, and other vision-based applications.

Recent research in representation learning utilizes large databases of proteins or molecules to acquire knowledge of drug and protein structures through unsupervised learning techniques. These pre-trained representations have proven to significantly enhance the accuracy of subsequent tasks, such as predicting the affinity between drugs and target proteins. In this study, we demonstrate that by incorporating knowledge graphs from diverse sources and modalities into the sequences or SMILES representation, we can further enrich the representation and achieve state-of-the-art results on established benchmark datasets. We provide preprocessed and integrated data obtained from 7 public sources, which encompass over 30M triples. Additionally, we make available the pre-trained models based on this data, along with the reported outcomes of their performance on three widely-used benchmark datasets for drug-target binding affinity prediction found in the Therapeutic Data Commons (TDC) benchmarks. Additionally, we make the source code for training models on benchmark datasets publicly available. Our objective in releasing these pre-trained models, accompanied by clean data for model pretraining and benchmark results, is to encourage research in knowledge-enhanced representation learning.

Pretrained neural networks have attracted significant interest in chemistry and small molecule drug design. Embeddings from these models are widely used for molecular property prediction, virtual screening, and small data learning in molecular chemistry. This study presents the most extensive comparison of such models to date, evaluating 25 models across 25 datasets. Under a fair comparison framework, we assess models spanning various modalities, architectures, and pretraining strategies. Using a dedicated hierarchical Bayesian statistical testing model, we arrive at a surprising result: nearly all neural models show negligible or no improvement over the baseline ECFP molecular fingerprint. Only the CLAMP model, which is also based on molecular fingerprints, performs statistically significantly better than the alternatives. These findings raise concerns about the evaluation rigor in existing studies. We discuss potential causes, propose solutions, and offer practical recommendations.

We present miniF2F, a dataset of formal Olympiad-level mathematics problems statements intended to provide a unified cross-system benchmark for neural theorem proving. The miniF2F benchmark currently targets Metamath, Lean, Isabelle (partially) and HOL Light (partially) and consists of 488 problem statements drawn from the AIME, AMC, and the International Mathematical Olympiad (IMO), as well as material from high-school and undergraduate mathematics courses. We report baseline results using GPT-f, a neural theorem prover based on GPT-3 and provide an analysis of its performance. We intend for miniF2F to be a community-driven effort and hope that our benchmark will help spur advances in neural theorem proving.

Table Question Answering (TQA) aims at composing an answer to a question based on tabular data. While prior research has shown that TQA models lack robustness, understanding the underlying cause and nature of this issue remains predominantly unclear, posing a significant obstacle to the development of robust TQA systems. In this paper, we formalize three major desiderata for a fine-grained evaluation of robustness of TQA systems. They should (i) answer questions regardless of alterations in table structure, (ii) base their responses on the content of relevant cells rather than on biases, and (iii) demonstrate robust numerical reasoning capabilities. To investigate these aspects, we create and publish a novel TQA evaluation benchmark in English. Our extensive experimental analysis reveals that none of the examined state-of-the-art TQA systems consistently excels in these three aspects. Our benchmark is a crucial instrument for monitoring the behavior of TQA systems and paves the way for the development of robust TQA systems. We release our benchmark publicly.

The extraction of molecular structures and reaction data from scientific documents is challenging due to their varied, unstructured chemical formats and complex document layouts. To address this, we introduce MolMole, a vision-based deep learning framework that unifies molecule detection, reaction diagram parsing, and optical chemical structure recognition (OCSR) into a single pipeline for automating the extraction of chemical data directly from page-level documents. Recognizing the lack of a standard page-level benchmark and evaluation metric, we also present a testset of 550 pages annotated with molecule bounding boxes, reaction labels, and MOLfiles, along with a novel evaluation metric. Experimental results demonstrate that MolMole outperforms existing toolkits on both our benchmark and public datasets. The benchmark testset will be publicly available, and the MolMole toolkit will be accessible soon through an interactive demo on the LG AI Research website. For commercial inquiries, please contact us at mailto:contact_ddu@lgresearch.ai{contact\_ddu@lgresearch.ai}.

Test set contamination, wherein test data from a benchmark ends up in a newer model's training set, is a well-documented obstacle for fair LLM evaluation and can quickly render benchmarks obsolete. To mitigate this, many recent benchmarks crowdsource new prompts and evaluations from human or LLM judges; however, these can introduce significant biases, and break down when scoring hard questions. In this work, we introduce a new benchmark for LLMs designed to be immune to both test set contamination and the pitfalls of LLM judging and human crowdsourcing. We release LiveBench, the first benchmark that (1) contains frequently-updated questions from recent information sources, (2) scores answers automatically according to objective ground-truth values, and (3) contains a wide variety of challenging tasks, spanning math, coding, reasoning, language, instruction following, and data analysis. To achieve this, LiveBench contains questions that are based on recently-released math competitions, arXiv papers, news articles, and datasets, and it contains harder, contamination-free versions of tasks from previous benchmarks such as Big-Bench Hard, AMPS, and IFEval. We evaluate many prominent closed-source models, as well as dozens of open-source models ranging from 0.5B to 110B in size. LiveBench is difficult, with top models achieving below 65% accuracy. We release all questions, code, and model answers. Questions will be added and updated on a monthly basis, and we will release new tasks and harder versions of tasks over time so that LiveBench can distinguish between the capabilities of LLMs as they improve in the future. We welcome community engagement and collaboration for expanding the benchmark tasks and models.