Daily Papers

AlphaEvolve is a generic evolutionary coding agent that combines the generative capabilities of LLMs with automated evaluation in an iterative evolutionary framework that proposes, tests, and refines algorithmic solutions to challenging scientific and practical problems. In this paper we showcase AlphaEvolve as a tool for autonomously discovering novel mathematical constructions and advancing our understanding of long-standing open problems. To demonstrate its breadth, we considered a list of 67 problems spanning mathematical analysis, combinatorics, geometry, and number theory. The system rediscovered the best known solutions in most of the cases and discovered improved solutions in several. In some instances, AlphaEvolve is also able to generalize results for a finite number of input values into a formula valid for all input values. Furthermore, we are able to combine this methodology with Deep Think and AlphaProof in a broader framework where the additional proof-assistants and reasoning systems provide automated proof generation and further mathematical insights. These results demonstrate that large language model-guided evolutionary search can autonomously discover mathematical constructions that complement human intuition, at times matching or even improving the best known results, highlighting the potential for significant new ways of interaction between mathematicians and AI systems. We present AlphaEvolve as a powerful new tool for mathematical discovery, capable of exploring vast search spaces to solve complex optimization problems at scale, often with significantly reduced requirements on preparation and computation time.

The derivation of mathematical results in specialised fields using Large Language Models (LLMs) is an emerging research direction that can help identify models' limitations, and potentially support mathematical discovery. In this paper, we leverage a symbolic engine to generate derivations of equations at scale, and investigate the capabilities of LLMs when deriving goal equations from premises. Specifically, we employ in-context learning for GPT and fine-tune a range of T5 models to compare the robustness and generalisation of pre-training strategies to specialised models. Empirical results show that fine-tuned FLAN-T5-large (MathT5) outperforms GPT models on all static and out-of-distribution test sets in terms of absolute performance. However, an in-depth analysis reveals that the fine-tuned models are more sensitive to perturbations involving unseen symbols and (to a lesser extent) changes to equation structure. In addition, we analyse 1.7K equations and over 200 derivations to highlight common reasoning errors such as the inclusion of incorrect, irrelevant, and redundant equations, along with the tendency to skip derivation steps. Finally, we explore the suitability of existing metrics for evaluating mathematical derivations finding evidence that, while they capture general properties such as sensitivity to perturbations, they fail to highlight fine-grained reasoning errors and essential differences between models. Overall, this work demonstrates that training models on synthetic data can improve their mathematical capabilities beyond larger architectures.

The mathematical capabilities of AI systems are complex and multifaceted. Most existing research has predominantly focused on the correctness of AI-generated solutions to mathematical problems. In this work, we argue that beyond producing correct answers, AI systems should also be capable of, or assist humans in, developing novel solutions to mathematical challenges. This study explores the creative potential of Large Language Models (LLMs) in mathematical reasoning, an aspect that has received limited attention in prior research. We introduce a novel framework and benchmark, CreativeMath, which encompasses problems ranging from middle school curricula to Olympic-level competitions, designed to assess LLMs' ability to propose innovative solutions after some known solutions have been provided. Our experiments demonstrate that, while LLMs perform well on standard mathematical tasks, their capacity for creative problem-solving varies considerably. Notably, the Gemini-1.5-Pro model outperformed other LLMs in generating novel solutions. This research opens a new frontier in evaluating AI creativity, shedding light on both the strengths and limitations of LLMs in fostering mathematical innovation, and setting the stage for future developments in AI-assisted mathematical discovery.

Mathematical reasoning lies at the heart of artificial intelligence, underpinning applications in education, program verification, and research-level mathematical discovery. Mathematical competitions, in particular, present two challenging problem types: theorem proving, which requires rigorous proofs of stated conclusions, and answer construction, which involves hypothesizing and formally verifying mathematical objects. Large Language Models (LLMs) effectively generate creative candidate answers but struggle with formal verification, while symbolic provers ensure rigor but cannot efficiently handle creative conjecture generation. We introduce the Enumerate-Conjecture-Prove (ECP) framework, a modular neuro-symbolic method integrating LLM-based enumeration and pattern-driven conjecturing with formal theorem proving. We present ConstructiveBench, a dataset of 3,431 answer-construction problems in various math competitions with verified Lean formalizations. On the ConstructiveBench dataset, ECP improves the accuracy of answer construction from a Chain-of-Thought (CoT) baseline of 14.54% to 45.06% with the gpt-4.1-mini model. Moreover, combined with ECP's constructed answers, the state-of-the-art DeepSeek-Prover-V2-7B model generates correct proofs for 858 of the 3,431 constructive problems in Lean, achieving 25.01% accuracy compared to 9.86% for symbolic-only baselines. Our code and dataset are publicly available at https://github.com/JackSun200312/ECP.

LLM-based formal proof assistants (e.g., in Lean) hold great promise for automating mathematical discovery. But beyond syntactic correctness, do these systems truly understand mathematical structure as humans do? We investigate this question through the lens of mathematical inequalities -- a fundamental tool across many domains. While modern provers can solve basic inequalities, we probe their ability to handle human-intuitive compositionality. We introduce Ineq-Comp, a benchmark built from elementary inequalities through systematic transformations, including variable duplication, algebraic rewriting, and multi-step composition. Although these problems remain easy for humans, we find that most provers -- including Goedel, STP, and Kimina-7B -- struggle significantly. DeepSeek-Prover-V2-7B shows relative robustness -- possibly because it is trained to decompose the problems into sub-problems -- but still suffers a 20\% performance drop (pass@32). Strikingly, performance remains poor for all models even when formal proofs of the constituent parts are provided in context, revealing that the source of weakness is indeed in compositional reasoning. Our results expose a persisting gap between the generalization behavior of current AI provers and human mathematical intuition.

Recent advances in large language model (LLM) reasoning through reinforcement learning rely on annotated datasets for verifiable rewards, which may limit models' ability to surpass human-level performance. While self-play offers a promising alternative, existing approaches depend on external verifiers or cannot learn open-endedly. We present Open-Ended Self-Improving Reasoner (OpenSIR), a self-play framework where an LLM learns to generate and solve novel problems by alternating teacher and student roles without external supervision. To generate novel problems, OpenSIR optimises for both difficulty and diversity, rewarding problems that challenge appropriately while exploring distinct concepts, enabling open-ended mathematical discovery. Starting from a single trivial seed problem, OpenSIR substantially improves instruction models: Llama-3.2-3B-Instruct advances from 73.9 to 78.3 on GSM8K, and from 28.8 to 34.4 on College Math, while Gemma-2-2B-Instruct rises from 38.5 to 58.7 on GSM8K. Our analyses reveal that OpenSIR achieves open-ended learning through co-evolving teacher-student roles that adaptively calibrate difficulty and drive diverse exploration, progressing autonomously from basic to advanced mathematics.

Ongoing efforts that span over decades show a rise of AI methods for accelerating scientific discovery, yet accelerating discovery in mathematics remains a persistent challenge for AI. Specifically, AI methods were not effective in creation of formulas for mathematical constants because each such formula must be correct for infinite digits of precision, with "near-true" formulas providing no insight toward the correct ones. Consequently, formula discovery lacks a clear distance metric needed to guide automated discovery in this realm. In this work, we propose a systematic methodology for categorization, characterization, and pattern identification of such formulas. The key to our methodology is introducing metrics based on the convergence dynamics of the formulas, rather than on the numerical value of the formula. These metrics enable the first automated clustering of mathematical formulas. We demonstrate this methodology on Polynomial Continued Fraction formulas, which are ubiquitous in their intrinsic connections to mathematical constants, and generalize many mathematical functions and structures. We test our methodology on a set of 1,768,900 such formulas, identifying many known formulas for mathematical constants, and discover previously unknown formulas for pi, ln(2), Gauss', and Lemniscate's constants. The uncovered patterns enable a direct generalization of individual formulas to infinite families, unveiling rich mathematical structures. This success paves the way towards a generative model that creates formulas fulfilling specified mathematical properties, accelerating the rate of discovery of useful formulas.

In recent decades, a growing number of discoveries in fields of mathematics have been assisted by computer algorithms, primarily for exploring large parameter spaces that humans would take too long to investigate. As computers and algorithms become more powerful, an intriguing possibility arises - the interplay between human intuition and computer algorithms can lead to discoveries of novel mathematical concepts that would otherwise remain elusive. To realize this perspective, we have developed a massively parallel computer algorithm that discovers an unprecedented number of continued fraction formulas for fundamental mathematical constants. The sheer number of formulas discovered by the algorithm unveils a novel mathematical structure that we call the conservative matrix field. Such matrix fields (1) unify thousands of existing formulas, (2) generate infinitely many new formulas, and most importantly, (3) lead to unexpected relations between different mathematical constants, including multiple integer values of the Riemann zeta function. Conservative matrix fields also enable new mathematical proofs of irrationality. In particular, we can use them to generalize the celebrated proof by Ap\'ery for the irrationality of zeta(3). Utilizing thousands of personal computers worldwide, our computer-supported research strategy demonstrates the power of experimental mathematics, highlighting the prospects of large-scale computational approaches to tackle longstanding open problems and discover unexpected connections across diverse fields of science.

Computers calculate transcendental functions by approximating them through the composition of a few limited-precision instructions. For example, an exponential can be calculated with a Taylor series. These approximation methods were developed over the centuries by mathematicians, who emphasized the attainability of arbitrary precision. Computers, however, operate on few limited precision types, such as the popular float32. In this study, we show that when aiming for limited precision, existing approximation methods can be outperformed by programs automatically discovered from scratch by a simple evolutionary algorithm. In particular, over real numbers, our method can approximate the exponential function reaching orders of magnitude more precision for a given number of operations when compared to previous approaches. More practically, over float32 numbers and constrained to less than 1 ULP of error, the same method attains a speedup over baselines by generating code that triggers better XLA/LLVM compilation paths. In other words, in both cases, evolution searched a vast space of possible programs, without knowledge of mathematics, to discover previously unknown optimized approximations to high precision, for the first time. We also give evidence that these results extend beyond the exponential. The ubiquity of transcendental functions suggests that our method has the potential to reduce the cost of scientific computing applications.

Mathematical equations have been unreasonably effective in describing complex natural phenomena across various scientific disciplines. However, discovering such insightful equations from data presents significant challenges due to the necessity of navigating extremely high-dimensional combinatorial and nonlinear hypothesis spaces. Traditional methods of equation discovery largely focus on extracting equations from data alone, often neglecting the rich domain-specific prior knowledge that scientists typically depend on. To bridge this gap, we introduce LLM-SR, a novel approach that leverages the extensive scientific knowledge and robust code generation capabilities of Large Language Models (LLMs) to discover scientific equations from data in an efficient manner. Specifically, LLM-SR treats equations as programs with mathematical operators and combines LLMs' scientific priors with evolutionary search over equation programs. The LLM iteratively proposes new equation skeletons, drawing from its physical understanding, which are then optimized against data to estimate skeleton parameters. We demonstrate LLM-SR's effectiveness across three diverse scientific domains, where it discovers physically accurate equations that provide significantly better fits to in-domain and out-of-domain data compared to the well-established equation discovery baselines

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical reasoning, which assumes a predefined formulation, modeling requires open-ended problem analysis, abstraction, and principled formalization. While Large Language Models (LLMs) have shown strong reasoning capabilities, they fall short in rigorous model construction, limiting their utility in real-world problem-solving. To this end, we formalize the task of LLM-powered real-world mathematical modeling, where agents must analyze problems, construct domain-appropriate formulations, and generate complete end-to-end solutions. We introduce MM-Bench, a curated benchmark of 111 problems from the Mathematical Contest in Modeling (MCM/ICM), spanning the years 2000 to 2025 and across ten diverse domains such as physics, biology, and economics. To tackle this task, we propose MM-Agent, an expert-inspired framework that decomposes mathematical modeling into four stages: open-ended problem analysis, structured model formulation, computational problem solving, and report generation. Experiments on MM-Bench show that MM-Agent significantly outperforms baseline agents, achieving an 11.88\% improvement over human expert solutions while requiring only 15 minutes and \$0.88 per task using GPT-4o. Furthermore, under official MCM/ICM protocols, MM-Agent assisted two undergraduate teams in winning the Finalist Award (top 2.0\% among 27,456 teams) in MCM/ICM 2025, demonstrating its practical effectiveness as a modeling copilot. Our code is available at https://github.com/usail-hkust/LLM-MM-Agent

Models of many engineering and natural systems are imperfect. The discrepancy between the mathematical representations of a true physical system and its imperfect model is called the model error. These model errors can lead to substantial differences between the numerical solutions of the model and the state of the system, particularly in those involving nonlinear, multi-scale phenomena. Thus, there is increasing interest in reducing model errors, particularly by leveraging the rapidly growing observational data to understand their physics and sources. Here, we introduce a framework named MEDIDA: Model Error Discovery with Interpretability and Data Assimilation. MEDIDA only requires a working numerical solver of the model and a small number of noise-free or noisy sporadic observations of the system. In MEDIDA, first the model error is estimated from differences between the observed states and model-predicted states (the latter are obtained from a number of one-time-step numerical integrations from the previous observed states). If observations are noisy, a data assimilation (DA) technique such as ensemble Kalman filter (EnKF) is employed to provide the analysis state of the system, which is then used to estimate the model error. Finally, an equation-discovery technique, here the relevance vector machine (RVM), a sparsity-promoting Bayesian method, is used to identify an interpretable, parsimonious, and closed-form representation of the model error. Using the chaotic Kuramoto-Sivashinsky (KS) system as the test case, we demonstrate the excellent performance of MEDIDA in discovering different types of structural/parametric model errors, representing different types of missing physics, using noise-free and noisy observations.

Formulas involving fundamental mathematical constants had a great impact on various fields of science and mathematics, for example aiding in proofs of irrationality of constants. However, the discovery of such formulas has historically remained scarce, often perceived as an act of mathematical genius by great mathematicians such as Ramanujan, Euler, and Gauss. Recent efforts to automate the discovery of formulas for mathematical constants, such as the Ramanujan Machine project, relied on exhaustive search. Despite several successful discoveries, exhaustive search remains limited by the space of options that can be covered and by the need for vast amounts of computational resources. Here we propose a fundamentally different method to search for conjectures on mathematical constants: through analysis of integer sequences. We introduce the Enumerated Signed-continued-fraction Massey Approve (ESMA) algorithm, which builds on the Berlekamp-Massey algorithm to identify patterns in integer sequences that represent mathematical constants. The ESMA algorithm found various known formulas for e, e^2, tan(1), and ratios of values of Bessel functions. The algorithm further discovered a large number of new conjectures for these constants, some providing simpler representations and some providing faster numerical convergence than the corresponding simple continued fractions. Along with the algorithm, we present mathematical tools for manipulating continued fractions. These connections enable us to characterize what space of constants can be found by ESMA and quantify its algorithmic advantage in certain scenarios. Altogether, this work continues in the development of augmenting mathematical intuition by computer algorithms, to help reveal mathematical structures and accelerate mathematical research.

State of the art Symbolic Regression (SR) methods currently build specialized models, while the application of Large Language Models (LLMs) remains largely unexplored. In this work, we introduce the first comprehensive framework that utilizes LLMs for the task of SR. We propose In-Context Symbolic Regression (ICSR), an SR method which iteratively refines a functional form with an LLM and determines its coefficients with an external optimizer. ICSR leverages LLMs' strong mathematical prior both to propose an initial set of possible functions given the observations and to refine them based on their errors. Our findings reveal that LLMs are able to successfully find symbolic equations that fit the given data, matching or outperforming the overall performance of the best SR baselines on four popular benchmarks, while yielding simpler equations with better out of distribution generalization.

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their potential to leverage embedded scientific knowledge for hypothesis generation. However, evaluating the true discovery capabilities of these methods remains challenging, as existing benchmarks often rely on common equations that are susceptible to memorization by LLMs, leading to inflated performance metrics that do not reflect discovery. In this paper, we introduce LLM-SRBench, a comprehensive benchmark with 239 challenging problems across four scientific domains specifically designed to evaluate LLM-based scientific equation discovery methods while preventing trivial memorization. Our benchmark comprises two main categories: LSR-Transform, which transforms common physical models into less common mathematical representations to test reasoning beyond memorized forms, and LSR-Synth, which introduces synthetic, discovery-driven problems requiring data-driven reasoning. Through extensive evaluation of several state-of-the-art methods, using both open and closed LLMs, we find that the best-performing system so far achieves only 31.5% symbolic accuracy. These findings highlight the challenges of scientific equation discovery, positioning LLM-SRBench as a valuable resource for future research.

Discovering novel high-entropy alloys (HEAs) with desirable properties is challenging due to the vast compositional space and complex phase formation mechanisms. Efficient exploration of this space requires a strategic approach that integrates heterogeneous knowledge sources. Here, we propose a framework that systematically combines knowledge extracted from computational material datasets with domain knowledge distilled from scientific literature using large language models (LLMs). A central feature of this approach is the explicit consideration of element substitutability, identifying chemically similar elements that can be interchanged to potentially stabilize desired HEAs. Dempster-Shafer theory, a mathematical framework for reasoning under uncertainty, is employed to model and combine substitutabilities based on aggregated evidence from multiple sources. The framework predicts the phase stability of candidate HEA compositions and is systematically evaluated on both quaternary alloy systems, demonstrating superior performance compared to baseline machine learning models and methods reliant on single-source evidence in cross-validation experiments. By leveraging multi-source knowledge, the framework retains robust predictive power even when key elements are absent from the training data, underscoring its potential for knowledge transfer and extrapolation. Furthermore, the enhanced interpretability of the methodology offers insights into the fundamental factors governing HEA formation. Overall, this work provides a promising strategy for accelerating HEA discovery by integrating computational and textual knowledge sources, enabling efficient exploration of vast compositional spaces with improved generalization and interpretability.

In an era where symbolic mathematical equations are indispensable for modeling complex natural phenomena, scientific inquiry often involves collecting observations and translating them into mathematical expressions. Recently, deep learning has emerged as a powerful tool for extracting insights from data. However, existing models typically specialize in either numeric or symbolic domains, and are usually trained in a supervised manner tailored to specific tasks. This approach neglects the substantial benefits that could arise from a task-agnostic unified understanding between symbolic equations and their numeric counterparts. To bridge the gap, we introduce SNIP, a Symbolic-Numeric Integrated Pre-training, which employs joint contrastive learning between symbolic and numeric domains, enhancing their mutual similarities in the pre-trained embeddings. By performing latent space analysis, we observe that SNIP provides cross-domain insights into the representations, revealing that symbolic supervision enhances the embeddings of numeric data and vice versa. We evaluate SNIP across diverse tasks, including symbolic-to-numeric mathematical property prediction and numeric-to-symbolic equation discovery, commonly known as symbolic regression. Results show that SNIP effectively transfers to various tasks, consistently outperforming fully supervised baselines and competing strongly with established task-specific methods, especially in few-shot learning scenarios where available data is limited.

This paper revisits datasets and evaluation criteria for Symbolic Regression, a task of expressing given data using mathematical equations, specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling range of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. As an evaluation metric, we also propose to use normalized edit distances between a predicted equation and the ground-truth equation trees. While existing metrics are either binary or errors between the target values and an SR model's predicted values for a given input, normalized edit distances evaluate a sort of similarity between the ground-truth and predicted equation trees. We have conducted experiments on our new SRSD datasets using five state-of-the-art SR methods in SRBench and a simple baseline based on a recent Transformer architecture. The results show that we provide a more realistic performance evaluation and open up a new machine learning-based approach for scientific discovery. Our datasets and code repository are publicly available.

Although Large Language Models (LLMs) and Large Multimodal Models (LMMs) exhibit impressive skills in various domains, their ability for mathematical reasoning within visual contexts has not been formally examined. Equipping LLMs and LMMs with this capability is vital for general-purpose AI assistants and showcases promising potential in education, data analysis, and scientific discovery. To bridge this gap, we present MathVista, a benchmark designed to amalgamate challenges from diverse mathematical and visual tasks. We first taxonomize the key task types, reasoning skills, and visual contexts from the literature to guide our selection from 28 existing math-focused and visual question answering datasets. Then, we construct three new datasets, IQTest, FunctionQA, and PaperQA, to accommodate for missing types of visual contexts. The problems featured often require deep visual understanding beyond OCR or image captioning, and compositional reasoning with rich domain-specific tools, thus posing a notable challenge to existing models. We conduct a comprehensive evaluation of 11 prominent open-source and proprietary foundation models (LLMs, LLMs augmented with tools, and LMMs), and early experiments with GPT-4V. The best-performing model, Multimodal Bard, achieves only 58% of human performance (34.8% vs 60.3%), indicating ample room for further improvement. Given this significant gap, MathVista fuels future research in the development of general-purpose AI agents capable of tackling mathematically intensive and visually rich real-world tasks. Preliminary tests show that MathVista also presents challenges to GPT-4V, underscoring the benchmark's importance. The project is available at https://mathvista.github.io/.

In this white paper, we present AlphaEvolve, an evolutionary coding agent that substantially enhances capabilities of state-of-the-art LLMs on highly challenging tasks such as tackling open scientific problems or optimizing critical pieces of computational infrastructure. AlphaEvolve orchestrates an autonomous pipeline of LLMs, whose task is to improve an algorithm by making direct changes to the code. Using an evolutionary approach, continuously receiving feedback from one or more evaluators, AlphaEvolve iteratively improves the algorithm, potentially leading to new scientific and practical discoveries. We demonstrate the broad applicability of this approach by applying it to a number of important computational problems. When applied to optimizing critical components of large-scale computational stacks at Google, AlphaEvolve developed a more efficient scheduling algorithm for data centers, found a functionally equivalent simplification in the circuit design of hardware accelerators, and accelerated the training of the LLM underpinning AlphaEvolve itself. Furthermore, AlphaEvolve discovered novel, provably correct algorithms that surpass state-of-the-art solutions on a spectrum of problems in mathematics and computer science, significantly expanding the scope of prior automated discovery methods (Romera-Paredes et al., 2023). Notably, AlphaEvolve developed a search algorithm that found a procedure to multiply two 4 times 4 complex-valued matrices using 48 scalar multiplications; offering the first improvement, after 56 years, over Strassen's algorithm in this setting. We believe AlphaEvolve and coding agents like it can have a significant impact in improving solutions of problems across many areas of science and computation.

Large language models (LLMs), especially Explicit Long Chain-of-Thought (CoT) reasoning models like DeepSeek-R1 and QWQ, have demonstrated powerful reasoning capabilities, achieving impressive performance in commonsense reasoning and mathematical inference. Despite their effectiveness, Long-CoT reasoning models are often criticized for their limited ability and low efficiency in knowledge-intensive domains such as molecule discovery. Success in this field requires a precise understanding of domain knowledge, including molecular structures and chemical principles, which is challenging due to the inherent complexity of molecular data and the scarcity of high-quality expert annotations. To bridge this gap, we introduce Mol-R1, a novel framework designed to improve explainability and reasoning performance of R1-like Explicit Long-CoT reasoning LLMs in text-based molecule generation. Our approach begins with a high-quality reasoning dataset curated through Prior Regulation via In-context Distillation (PRID), a dedicated distillation strategy to effectively generate paired reasoning traces guided by prior regulations. Building upon this, we introduce MoIA, Molecular Iterative Adaptation, a sophisticated training strategy that iteratively combines Supervised Fine-tuning (SFT) with Reinforced Policy Optimization (RPO), tailored to boost the reasoning performance of R1-like reasoning models for molecule discovery. Finally, we examine the performance of Mol-R1 in the text-based molecule reasoning generation task, showing superior performance against existing baselines.

This paper presents a practical investigation into fine-tuning model parameters for mathematical reasoning tasks through experimenting with various configurations including randomness control, reasoning depth, and sampling strategies, careful tuning demonstrates substantial improvements in efficiency as well as performance. A holistically optimized framework is introduced for five state-of-the-art models on mathematical reasoning tasks, exhibiting significant performance boosts while maintaining solution correctness. Through systematic parameter optimization across Qwen2.5-72B, Llama-3.1-70B, DeepSeek-V3, Mixtral-8x22B, and Yi-Lightning, consistent efficiency gains are demonstrated with 100% optimization success rate. The methodology achieves an average 29.4% reduction in computational cost and 23.9% improvement in inference speed across all tested models. This framework systematically searches parameter spaces including temperature (0.1-0.5), reasoning steps (4-12), planning periods (1-4), and nucleus sampling (0.85-0.98), determining optimal configurations through testing on mathematical reasoning benchmarks. Critical findings show that lower temperature regimes (0.1-0.4) and reduced reasoning steps (4-6) consistently enhance efficiency without compromising accuracy. DeepSeek-V3 achieves the highest accuracy at 98%, while Mixtral-8x22B delivers the most cost-effective performance at 361.5 tokens per accurate response. Key contributions include: (1) the first comprehensive optimization study for five diverse SOTA models in mathematical reasoning, (2) a standardized production-oriented parameter optimization framework, (3) discovery of universal optimization trends applicable across model architectures, and (4) production-ready configurations with extensive performance characterization.

The advancement in generative AI could be boosted with more accessible mathematics. Beyond human-AI chat, large language models (LLMs) are emerging in programming, algorithm discovery, and theorem proving, yet their genomics application is limited. This project introduces Math Agents and mathematical embedding as fresh entries to the "Moore's Law of Mathematics", using a GPT-based workflow to convert equations from literature into LaTeX and Python formats. While many digital equation representations exist, there's a lack of automated large-scale evaluation tools. LLMs are pivotal as linguistic user interfaces, providing natural language access for human-AI chat and formal languages for large-scale AI-assisted computational infrastructure. Given the infinite formal possibility spaces, Math Agents, which interact with math, could potentially shift us from "big data" to "big math". Math, unlike the more flexible natural language, has properties subject to proof, enabling its use beyond traditional applications like high-validation math-certified icons for AI alignment aims. This project aims to use Math Agents and mathematical embeddings to address the ageing issue in information systems biology by applying multiscalar physics mathematics to disease models and genomic data. Generative AI with episodic memory could help analyse causal relations in longitudinal health records, using SIR Precision Health models. Genomic data is suggested for addressing the unsolved Alzheimer's disease problem.

We present Denario, an AI multi-agent system designed to serve as a scientific research assistant. Denario can perform many different tasks, such as generating ideas, checking the literature, developing research plans, writing and executing code, making plots, and drafting and reviewing a scientific paper. The system has a modular architecture, allowing it to handle specific tasks, such as generating an idea, or carrying out end-to-end scientific analysis using Cmbagent as a deep-research backend. In this work, we describe in detail Denario and its modules, and illustrate its capabilities by presenting multiple AI-generated papers generated by it in many different scientific disciplines such as astrophysics, biology, biophysics, biomedical informatics, chemistry, material science, mathematical physics, medicine, neuroscience and planetary science. Denario also excels at combining ideas from different disciplines, and we illustrate this by showing a paper that applies methods from quantum physics and machine learning to astrophysical data. We report the evaluations performed on these papers by domain experts, who provided both numerical scores and review-like feedback. We then highlight the strengths, weaknesses, and limitations of the current system. Finally, we discuss the ethical implications of AI-driven research and reflect on how such technology relates to the philosophy of science. We publicly release the code at https://github.com/AstroPilot-AI/Denario. A Denario demo can also be run directly on the web at https://huggingface.co/spaces/astropilot-ai/Denario, and the full app will be deployed on the cloud.

Mathematical geometric reasoning is essential for scientific discovery and educational development, requiring precise logic and rigorous formal verification. While recent advances in Multimodal Large Language Models (MLLMs) have improved reasoning tasks, existing models typically struggle with formal geometric reasoning, particularly when dynamically constructing and verifying auxiliary geometric elements. To address these challenges, we introduce Geoint-R1, a multimodal reasoning framework designed to generate formally verifiable geometric solutions from textual descriptions and visual diagrams. Geoint-R1 uniquely integrates auxiliary elements construction, formal reasoning represented via Lean4, and interactive visualization. To systematically evaluate and advance formal geometric reasoning, we propose the Geoint benchmark, comprising 1,885 rigorously annotated geometry problems across diverse topics such as plane, spatial, and solid geometry. Each problem includes structured textual annotations, precise Lean4 code for auxiliary constructions, and detailed solution steps verified by experts. Extensive experiments demonstrate that Geoint-R1 significantly surpasses existing multimodal and math-specific reasoning models, particularly on challenging problems requiring explicit auxiliary element constructions.

In nature, the behaviors of many complex systems can be described by parsimonious math equations. Automatically distilling these equations from limited data is cast as a symbolic regression process which hitherto remains a grand challenge. Keen efforts in recent years have been placed on tackling this issue and demonstrated success in symbolic regression. However, there still exist bottlenecks that current methods struggle to break when the discrete search space tends toward infinity and especially when the underlying math formula is intricate. To this end, we propose a novel Reinforcement Symbolic Regression Machine (RSRM) that masters the capability of uncovering complex math equations from only scarce data. The RSRM model is composed of three key modules: (1) a Monte Carlo tree search (MCTS) agent that explores optimal math expression trees consisting of pre-defined math operators and variables, (2) a Double Q-learning block that helps reduce the feasible search space of MCTS via properly understanding the distribution of reward, and (3) a modulated sub-tree discovery block that heuristically learns and defines new math operators to improve representation ability of math expression trees. Biding of these modules yields the state-of-the-art performance of RSRM in symbolic regression as demonstrated by multiple sets of benchmark examples. The RSRM model shows clear superiority over several representative baseline models.

Inspired by the Kolmogorov-Arnold representation theorem, we propose Kolmogorov-Arnold Networks (KANs) as promising alternatives to Multi-Layer Perceptrons (MLPs). While MLPs have fixed activation functions on nodes ("neurons"), KANs have learnable activation functions on edges ("weights"). KANs have no linear weights at all -- every weight parameter is replaced by a univariate function parametrized as a spline. We show that this seemingly simple change makes KANs outperform MLPs in terms of accuracy and interpretability. For accuracy, much smaller KANs can achieve comparable or better accuracy than much larger MLPs in data fitting and PDE solving. Theoretically and empirically, KANs possess faster neural scaling laws than MLPs. For interpretability, KANs can be intuitively visualized and can easily interact with human users. Through two examples in mathematics and physics, KANs are shown to be useful collaborators helping scientists (re)discover mathematical and physical laws. In summary, KANs are promising alternatives for MLPs, opening opportunities for further improving today's deep learning models which rely heavily on MLPs.

Mathematics olympiads are prestigious competitions, with problem proposing and solving highly honored. Building artificial intelligence that proposes and solves olympiads presents an unresolved challenge in automated theorem discovery and proving, especially in geometry for its combination of numerical and spatial elements. We introduce TongGeometry, a Euclidean geometry system supporting tree-search-based guided problem proposing and solving. The efficient geometry system establishes the most extensive repository of geometry theorems to date: within the same computational budget as the existing state-of-the-art, TongGeometry discovers 6.7 billion geometry theorems requiring auxiliary constructions, including 4.1 billion exhibiting geometric symmetry. Among them, 10 theorems were proposed to regional mathematical olympiads with 3 of TongGeometry's proposals selected in real competitions, earning spots in a national team qualifying exam or a top civil olympiad in China and the US. Guided by fine-tuned large language models, TongGeometry solved all International Mathematical Olympiad geometry in IMO-AG-30, outperforming gold medalists for the first time. It also surpasses the existing state-of-the-art across a broader spectrum of olympiad-level problems. The full capabilities of the system can be utilized on a consumer-grade machine, making the model more accessible and fostering widespread democratization of its use. By analogy, unlike existing systems that merely solve problems like students, TongGeometry acts like a geometry coach, discovering, presenting, and proving theorems.

With recent dramatic increases in AI system capabilities, there has been growing interest in utilizing machine learning for reasoning-heavy, quantitative tasks, particularly mathematics. While there are many resources capturing mathematics at the high-school, undergraduate, and graduate level, there are far fewer resources available that align with the level of difficulty and open endedness encountered by professional mathematicians working on open problems. To address this, we introduce a new collection of datasets, the Algebraic Combinatorics Dataset Repository (ACD Repo), representing either foundational results or open problems in algebraic combinatorics, a subfield of mathematics that studies discrete structures arising from abstract algebra. Further differentiating our dataset collection is the fact that it aims at the conjecturing process. Each dataset includes an open-ended research-level question and a large collection of examples (up to 10M in some cases) from which conjectures should be generated. We describe all nine datasets, the different ways machine learning models can be applied to them (e.g., training with narrow models followed by interpretability analysis or program synthesis with LLMs), and discuss some of the challenges involved in designing datasets like these.

We introduce FrontierMath, a benchmark of hundreds of original, exceptionally challenging mathematics problems crafted and vetted by expert mathematicians. The questions cover most major branches of modern mathematics -- from computationally intensive problems in number theory and real analysis to abstract questions in algebraic geometry and category theory. Solving a typical problem requires multiple hours of effort from a researcher in the relevant branch of mathematics, and for the upper end questions, multiple days. FrontierMath uses new, unpublished problems and automated verification to reliably evaluate models while minimizing risk of data contamination. Current state-of-the-art AI models solve under 2% of problems, revealing a vast gap between AI capabilities and the prowess of the mathematical community. As AI systems advance toward expert-level mathematical abilities, FrontierMath offers a rigorous testbed that quantifies their progress.

Symbolic regression plays a crucial role in modern scientific research thanks to its capability of discovering concise and interpretable mathematical expressions from data. A grand challenge lies in the arduous search for parsimonious and generalizable mathematical formulas, in an infinite search space, while intending to fit the training data. Existing algorithms have faced a critical bottleneck of accuracy and efficiency over a decade when handling problems of complexity, which essentially hinders the pace of applying symbolic regression for scientific exploration across interdisciplinary domains. To this end, we introduce a parallelized tree search (PTS) model to efficiently distill generic mathematical expressions from limited data. Through a series of extensive experiments, we demonstrate the superior accuracy and efficiency of PTS for equation discovery, which greatly outperforms the state-of-the-art baseline models on over 80 synthetic and experimental datasets (e.g., lifting its performance by up to 99% accuracy improvement and one-order of magnitude speed up). PTS represents a key advance in accurate and efficient data-driven discovery of symbolic, interpretable models (e.g., underlying physical laws) and marks a pivotal transition towards scalable symbolic learning.

Many intellectual endeavors require mathematical problem solving, but this skill remains beyond the capabilities of computers. To measure this ability in machine learning models, we introduce MATH, a new dataset of 12,500 challenging competition mathematics problems. Each problem in MATH has a full step-by-step solution which can be used to teach models to generate answer derivations and explanations. To facilitate future research and increase accuracy on MATH, we also contribute a large auxiliary pretraining dataset which helps teach models the fundamentals of mathematics. Even though we are able to increase accuracy on MATH, our results show that accuracy remains relatively low, even with enormous Transformer models. Moreover, we find that simply increasing budgets and model parameter counts will be impractical for achieving strong mathematical reasoning if scaling trends continue. While scaling Transformers is automatically solving most other text-based tasks, scaling is not currently solving MATH. To have more traction on mathematical problem solving we will likely need new algorithmic advancements from the broader research community.

Mathematical problem-solving is a key field in artificial intelligence (AI) and a critical benchmark for evaluating the capabilities of large language models (LLMs). While extensive research has focused on mathematical problem-solving, most existing work and datasets concentrate on computational tasks, leaving gaps in areas like mathematical analysis, which demands rigorous proofs and formal reasoning. We developed the DEMI-MathAnalysis dataset, comprising proof-based problems from mathematical analysis topics such as Sequences and Limits, Infinite Series, and Convex Functions. We also designed a guiding framework to rigorously enhance LLMs' ability to solve these problems. Through fine-tuning LLMs on this dataset and employing our framework, we observed significant improvements in their capability to generate logical, complete, and elegant proofs. This work addresses critical gaps in mathematical reasoning and contributes to advancing trustworthy AI capable of handling formalized mathematical language. The code is publicly accessible at LLMs for Mathematical Analysis.

Large language models are emerging as powerful tools for scientific law discovery, a foundational challenge in AI-driven science. However, existing benchmarks for this task suffer from a fundamental methodological trilemma, forcing a trade-off between scientific relevance, scalability, and resistance to memorization. Furthermore, they oversimplify discovery as static function fitting, failing to capture the authentic scientific process of uncovering embedded laws through the interactive exploration of complex model systems. To address these critical gaps, we introduce NewtonBench, a benchmark comprising 324 scientific law discovery tasks across 12 physics domains. Our design mitigates the evaluation trilemma by using metaphysical shifts - systematic alterations of canonical laws - to generate a vast suite of problems that are scalable, scientifically relevant, and memorization-resistant. Moreover, we elevate the evaluation from static function fitting to interactive model discovery, requiring agents to experimentally probe simulated complex systems to uncover hidden principles. Our extensive experiment reveals a clear but fragile capability for discovery in frontier LLMs: this ability degrades precipitously with increasing system complexity and exhibits extreme sensitivity to observational noise. Notably, we uncover a paradoxical effect of tool assistance: providing a code interpreter can hinder more capable models by inducing a premature shift from exploration to exploitation, causing them to satisfice on suboptimal solutions. These results demonstrate that robust, generalizable discovery in complex, interactive environments remains the core challenge. By providing a scalable, robust, and scientifically authentic testbed, NewtonBench offers a crucial tool for measuring true progress and guiding the development of next-generation AI agents capable of genuine scientific discovery.

Leveraging mathematical Large Language Models (LLMs) for proof generation is a fundamental topic in LLMs research. We argue that the ability of current LLMs to prove statements largely depends on whether they have encountered the relevant proof process during training. This reliance limits their deeper understanding of mathematical theorems and related concepts. Inspired by the pedagogical method of "proof by counterexamples" commonly used in human mathematics education, our work aims to enhance LLMs' ability to conduct mathematical reasoning and proof through counterexamples. Specifically, we manually create a high-quality, university-level mathematical benchmark, CounterMATH, which requires LLMs to prove mathematical statements by providing counterexamples, thereby assessing their grasp of mathematical concepts. Additionally, we develop a data engineering framework to automatically obtain training data for further model improvement. Extensive experiments and detailed analyses demonstrate that CounterMATH is challenging, indicating that LLMs, such as OpenAI o1, have insufficient counterexample-driven proof capabilities. Moreover, our exploration into model training reveals that strengthening LLMs' counterexample-driven conceptual reasoning abilities is crucial for improving their overall mathematical capabilities. We believe that our work offers new perspectives on the community of mathematical LLMs.

Scientific discovery is a complex cognitive process that has driven human knowledge and technological progress for centuries. While artificial intelligence (AI) has made significant advances in automating aspects of scientific reasoning, simulation, and experimentation, we still lack integrated AI systems capable of performing autonomous long-term scientific research and discovery. This paper examines the current state of AI for scientific discovery, highlighting recent progress in large language models and other AI techniques applied to scientific tasks. We then outline key challenges and promising research directions toward developing more comprehensive AI systems for scientific discovery, including the need for science-focused AI agents, improved benchmarks and evaluation metrics, multimodal scientific representations, and unified frameworks combining reasoning, theorem proving, and data-driven modeling. Addressing these challenges could lead to transformative AI tools to accelerate progress across disciplines towards scientific discovery.

The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.

Discovering efficient algorithms for solving complex problems has been an outstanding challenge in mathematics and computer science, requiring substantial human expertise over the years. Recent advancements in evolutionary search with large language models (LLMs) have shown promise in accelerating the discovery of algorithms across various domains, particularly in mathematics and optimization. However, existing approaches treat the LLM as a static generator, missing the opportunity to update the model with the signal obtained from evolutionary exploration. In this work, we propose to augment LLM-based evolutionary search by continuously refining the search operator - the LLM - through reinforcement learning (RL) fine-tuning. Our method leverages evolutionary search as an exploration strategy to discover improved algorithms, while RL optimizes the LLM policy based on these discoveries. Our experiments on three combinatorial optimization tasks - bin packing, traveling salesman, and the flatpack problem - show that combining RL and evolutionary search improves discovery efficiency of improved algorithms, showcasing the potential of RL-enhanced evolutionary strategies to assist computer scientists and mathematicians for more efficient algorithm design.

Symbolic equations are at the core of scientific discovery. The task of discovering the underlying equation from a set of input-output pairs is called symbolic regression. Traditionally, symbolic regression methods use hand-designed strategies that do not improve with experience. In this paper, we introduce the first symbolic regression method that leverages large scale pre-training. We procedurally generate an unbounded set of equations, and simultaneously pre-train a Transformer to predict the symbolic equation from a corresponding set of input-output-pairs. At test time, we query the model on a new set of points and use its output to guide the search for the equation. We show empirically that this approach can re-discover a set of well-known physical equations, and that it improves over time with more data and compute.

Mathematical reasoning---a core ability within human intelligence---presents some unique challenges as a domain: we do not come to understand and solve mathematical problems primarily on the back of experience and evidence, but on the basis of inferring, learning, and exploiting laws, axioms, and symbol manipulation rules. In this paper, we present a new challenge for the evaluation (and eventually the design) of neural architectures and similar system, developing a task suite of mathematics problems involving sequential questions and answers in a free-form textual input/output format. The structured nature of the mathematics domain, covering arithmetic, algebra, probability and calculus, enables the construction of training and test splits designed to clearly illuminate the capabilities and failure-modes of different architectures, as well as evaluate their ability to compose and relate knowledge and learned processes. Having described the data generation process and its potential future expansions, we conduct a comprehensive analysis of models from two broad classes of the most powerful sequence-to-sequence architectures and find notable differences in their ability to resolve mathematical problems and generalize their knowledge.

Increasing interest in reasoning models has led math to become a prominent testing ground for algorithmic and methodological improvements. However, existing open math datasets either contain a small collection of high-quality, human-written problems or a large corpus of machine-generated problems of uncertain quality, forcing researchers to choose between quality and quantity. In this work, we present Big-Math, a dataset of over 250,000 high-quality math questions with verifiable answers, purposefully made for reinforcement learning (RL). To create Big-Math, we rigorously filter, clean, and curate openly available datasets, extracting questions that satisfy our three desiderata: (1) problems with uniquely verifiable solutions, (2) problems that are open-ended, (3) and problems with a closed-form solution. To ensure the quality of Big-Math, we manually verify each step in our filtering process. Based on the findings from our filtering process, we introduce 47,000 new questions with verified answers, Big-Math-Reformulated: closed-ended questions (i.e. multiple choice questions) that have been reformulated as open-ended questions through a systematic reformulation algorithm. Compared to the most commonly used existing open-source datasets for math reasoning, GSM8k and MATH, Big-Math is an order of magnitude larger, while our rigorous filtering ensures that we maintain the questions most suitable for RL. We also provide a rigorous analysis of the dataset, finding that Big-Math contains a high degree of diversity across problem domains, and incorporates a wide range of problem difficulties, enabling a wide range of downstream uses for models of varying capabilities and training requirements. By bridging the gap between data quality and quantity, Big-Math establish a robust foundation for advancing reasoning in LLMs.

Understanding and creating mathematics using natural mathematical language - the mixture of symbolic and natural language used by humans - is a challenging and important problem for driving progress in machine learning. As a step in this direction, we develop NaturalProofs, a multi-domain corpus of mathematical statements and their proofs, written in natural mathematical language. NaturalProofs unifies broad coverage, deep coverage, and low-resource mathematical sources, allowing for evaluating both in-distribution and zero-shot generalization. Using NaturalProofs, we benchmark strong neural methods on mathematical reference retrieval and generation tasks which test a system's ability to determine key results that appear in a proof. Large-scale sequence models show promise compared to classical information retrieval methods, yet their performance and out-of-domain generalization leave substantial room for improvement. NaturalProofs opens many avenues for research on challenging mathematical tasks.

With the advent of DeepSeek-R1, a new wave of reinforcement learning (RL) methods has emerged that seem to unlock stronger mathematical reasoning. However, a closer look at the open-source ecosystem reveals a critical limitation: with sufficiently many draws (e.g., pass@1024), many existing base models already solve nearly all questions on widely used math benchmarks such as MATH-500 and AIME 2024. This suggests that the RL fine-tuning methods prevalent in the LLM reasoning literature largely sharpen existing solution modes rather than discovering entirely new ones. Such sharpening stands in contrast to the broader promise of RL: to foster exploration and to acquire new skills. To move beyond this plateau, we introduce MATH-Beyond (MATH-B), a benchmark deliberately constructed to defeat common open-source models of up to 8B parameters even under large sampling budgets. Improving performance on our benchmark via RL requires methods that learn to reason in ways that go beyond base model capabilities in repeated sampling. Since the problems are drawn from subsets of DAPO-Math-17K and DeepScaleR datasets, they remain topically equivalent to standard high-school math. Validating our premise, RL fine-tuned models such as Nemotron-Research-Reasoning-Qwen-1.5B and DeepScaleR-1.5B-Preview perform poorly on MATH-B at pass@1024, showing how existing approaches fall short on tackling harder instances. We hope MATH-B will catalyze exploration-driven RL approaches that elicit deeper reasoning capabilities. We release MATH-B at https://huggingface.co/datasets/brendel-group/MATH-Beyond.

In this paper, we introduce AceMath, a suite of frontier math models that excel in solving complex math problems, along with highly effective reward models capable of evaluating generated solutions and reliably identifying the correct ones. To develop the instruction-tuned math models, we propose a supervised fine-tuning (SFT) process that first achieves competitive performance across general domains, followed by targeted fine-tuning for the math domain using a carefully curated set of prompts and synthetically generated responses. The resulting model, AceMath-72B-Instruct greatly outperforms Qwen2.5-Math-72B-Instruct, GPT-4o and Claude-3.5 Sonnet. To develop math-specialized reward model, we first construct AceMath-RewardBench, a comprehensive and robust benchmark for evaluating math reward models across diverse problems and difficulty levels. After that, we present a systematic approach to build our math reward models. The resulting model, AceMath-72B-RM, consistently outperforms state-of-the-art reward models. Furthermore, when combining AceMath-72B-Instruct with AceMath-72B-RM, we achieve the highest average rm@8 score across the math reasoning benchmarks. We will release model weights, training data, and evaluation benchmarks at: https://research.nvidia.com/labs/adlr/acemath

Large language models (LLMs) have demonstrated remarkable capabilities in problem-solving. However, their proficiency in solving mathematical problems remains inadequate. We propose MathScale, a simple and scalable method to create high-quality mathematical reasoning data using frontier LLMs (e.g., {\tt GPT-3.5}). Inspired by the cognitive mechanism in human mathematical learning, it first extracts topics and knowledge points from seed math questions and then build a concept graph, which is subsequently used to generate new math questions. MathScale exhibits effective scalability along the size axis of the math dataset that we generate. As a result, we create a mathematical reasoning dataset (MathScaleQA) containing two million math question-answer pairs. To evaluate mathematical reasoning abilities of LLMs comprehensively, we construct {\sc MwpBench}, a benchmark of Math Word Problems, which is a collection of ten datasets (including GSM8K and MATH) covering K-12, college, and competition level math problems. We apply MathScaleQA to fine-tune open-source LLMs (e.g., LLaMA-2 and Mistral), resulting in significantly improved capabilities in mathematical reasoning. Evaluated on {\sc MwpBench}, MathScale-7B achieves state-of-the-art performance across all datasets, surpassing its best peers of equivalent size by 42.9\% in micro average accuracy and 43.7\% in macro average accuracy, respectively.

Large language models (LLMs) have shown remarkable improvements in reasoning and many existing benchmarks have been addressed by models such as o1 and o3 either fully or partially. However, a majority of these benchmarks emphasize deductive reasoning, including mathematical and coding tasks in which rules such as mathematical axioms or programming syntax are clearly defined, based on which LLMs can plan and apply these rules to arrive at a solution. In contrast, inductive reasoning, where one infers the underlying rules from observed data, remains less explored. Such inductive processes lie at the heart of scientific discovery, as they enable researchers to extract general principles from empirical observations. To assess whether LLMs possess this capacity, we introduce InductionBench, a new benchmark designed to evaluate the inductive reasoning ability of LLMs. Our experimental findings reveal that even the most advanced models available struggle to master the simplest complexity classes within the subregular hierarchy of functions, highlighting a notable deficiency in current LLMs' inductive reasoning capabilities. Coda and data are available https://github.com/Wenyueh/inductive_reasoning_benchmark.

Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to scientific discovery. Despite the significant promise of LLM-based scientific agents, no benchmarks systematically test LLM's ability to propose scientific models, collect experimental data, and revise them in light of new data. We introduce BoxingGym, a benchmark with 10 environments for systematically evaluating both experimental design (e.g. collecting data to test a scientific theory) and model discovery (e.g. proposing and revising scientific theories). To enable tractable and quantitative evaluation, we implement each environment as a generative probabilistic model with which a scientific agent can run interactive experiments. These probabilistic models are drawn from various real-world scientific domains ranging from psychology to ecology. To quantitatively evaluate a scientific agent's ability to collect informative experimental data, we compute the expected information gain (EIG), an information-theoretic quantity which measures how much an experiment reduces uncertainty about the parameters of a generative model. A good scientific theory is a concise and predictive explanation. Therefore, to quantitatively evaluate model discovery, we ask a scientific agent to explain their model and then assess whether this explanation enables another scientific agent to make reliable predictions about this environment. In addition to this explanation-based evaluation, we compute standard model evaluation metrics such as prediction errors. We find that current LLMs, such as GPT-4o, struggle with both experimental design and model discovery. We find that augmenting the LLM-based agent with an explicit statistical model does not reliably improve these results.

Metric space magnitude, an active subject of research in algebraic topology, originally arose in the context of biology, where it was used to represent the effective number of distinct species in an environment. In a more general setting, the magnitude of a metric space is a real number that aims to quantify the effective number of distinct points in the space. The contribution of each point to a metric space's global magnitude, which is encoded by the {\em weighting vector}, captures much of the underlying geometry of the original metric space. Surprisingly, when the metric space is Euclidean, the weighting vector also serves as an effective tool for boundary detection. This allows the weighting vector to serve as the foundation of novel algorithms for classic machine learning tasks such as classification, outlier detection and active learning. We demonstrate, using experiments and comparisons on classic benchmark datasets, the promise of the proposed magnitude and weighting vector-based approaches.

Mathematical reasoning is a fundamental aspect of human intelligence and is applicable in various fields, including science, engineering, finance, and everyday life. The development of artificial intelligence (AI) systems capable of solving math problems and proving theorems has garnered significant interest in the fields of machine learning and natural language processing. For example, mathematics serves as a testbed for aspects of reasoning that are challenging for powerful deep learning models, driving new algorithmic and modeling advances. On the other hand, recent advances in large-scale neural language models have opened up new benchmarks and opportunities to use deep learning for mathematical reasoning. In this survey paper, we review the key tasks, datasets, and methods at the intersection of mathematical reasoning and deep learning over the past decade. We also evaluate existing benchmarks and methods, and discuss future research directions in this domain.

Large language models have achieved substantial progress in mathematical reasoning, yet their advancement is limited by the scarcity of high-quality, high-difficulty training data. Existing synthesis methods largely rely on transforming human-written templates, limiting both diversity and scalability. We propose MathSmith, a novel framework for synthesizing challenging mathematical problems to enhance LLM reasoning. Rather than modifying existing problems, MathSmith constructs new ones from scratch by randomly sampling concept-explanation pairs from PlanetMath, ensuring data independence and avoiding contamination. To increase difficulty, we design nine predefined strategies as soft constraints during rationales. We further adopts reinforcement learning to jointly optimize structural validity, reasoning complexity, and answer consistency. The length of the reasoning trace generated under autoregressive prompting is used to reflect cognitive complexity, encouraging the creation of more demanding problems aligned with long-chain-of-thought reasoning. Experiments across five benchmarks, categorized as easy & medium (GSM8K, MATH-500) and hard (AIME2024, AIME2025, OlympiadBench), show that MathSmith consistently outperforms existing baselines under both short and long CoT settings. Additionally, a weakness-focused variant generation module enables targeted improvement on specific concepts. Overall, MathSmith exhibits strong scalability, generalization, and transferability, highlighting the promise of high-difficulty synthetic data in advancing LLM reasoning capabilities.

Large Language Models have achieved remarkable success in natural language processing tasks, with Reinforcement Learning playing a key role in adapting them to specific applications. However, obtaining ground truth answers for training LLMs in mathematical problem-solving is often challenging, costly, and sometimes unfeasible. This research delves into the utilization of format and length as surrogate signals to train LLMs for mathematical problem-solving, bypassing the need for traditional ground truth answers.Our study shows that a reward function centered on format correctness alone can yield performance improvements comparable to the standard GRPO algorithm in early phases. Recognizing the limitations of format-only rewards in the later phases, we incorporate length-based rewards. The resulting GRPO approach, leveraging format-length surrogate signals, not only matches but surpasses the performance of the standard GRPO algorithm relying on ground truth answers in certain scenarios, achieving 40.0\% accuracy on AIME2024 with a 7B base model. Through systematic exploration and experimentation, this research not only offers a practical solution for training LLMs to solve mathematical problems and reducing the dependence on extensive ground truth data collection, but also reveals the essence of why our label-free approach succeeds: base model is like an excellent student who has already mastered mathematical and logical reasoning skills, but performs poorly on the test paper, it simply needs to develop good answering habits to achieve outstanding results in exams , in other words, to unlock the capabilities it already possesses.

Premise selection is a crucial yet challenging step in mathematical formalization, especially for users with limited experience. Due to the lack of available formalization projects, existing approaches that leverage language models often suffer from data scarcity. In this work, we introduce an innovative method for training a premise retriever to support the formalization of mathematics. Our approach employs a BERT model to embed proof states and premises into a shared latent space. The retrieval model is trained within a contrastive learning framework and incorporates a domain-specific tokenizer along with a fine-grained similarity computation method. Experimental results show that our model is highly competitive compared to existing baselines, achieving strong performance while requiring fewer computational resources. Performance is further enhanced through the integration of a re-ranking module. To streamline the formalization process, we will release a search engine that enables users to query Mathlib theorems directly using proof states, significantly improving accessibility and efficiency. Codes are available at https://github.com/ruc-ai4math/Premise-Retrieval.

Magnitude of a finite metric space and the related notion of magnitude functions on metric spaces is an active area of research in algebraic topology. Magnitude originally arose in the context of biology, where it represents the number of effective species in an environment; when applied to a one-parameter family of metric spaces tX with scale parameter t, the magnitude captures much of the underlying geometry of the space. Prior work has mostly focussed on properties of magnitude in a global sense; in this paper we restrict the sets to finite subsets of Euclidean space and investigate its individual components. We give an explicit formula for the corrected inclusion-exclusion principle, and define a quantity associated with each point, called the moment which gives an intrinsic ordering to the points. We exploit this in order to form an algorithm which approximates the convex hull.

Evaluating the mathematical capability of Large Language Models (LLMs) is a critical yet challenging frontier. Existing benchmarks fall short, particularly for proof-centric problems, as manual creation is unscalable and costly, leaving the true mathematical abilities of LLMs largely unassessed. To overcome these barriers, we propose Proof2Hybrid, the first fully automated framework that synthesizes high-quality, proof-centric benchmarks from natural language mathematical corpora. The key novelty of our solution is Proof2X, a roadmap of converting mathematical proofs into various kinds of questions that are easy to verify. Instructed by this roadmap, we propose a new type of hybrid-formatted questions, named ``m-out-of-n multiple judge questions'', specifically designed to enable robust, automatic evaluation while being resilient to guessing and superficial pattern matching inherent in traditional formats. As a demonstration of our framework, we introduce AlgGeoTest, a benchmark for algebraic geometry--a frontier domain of modern mathematics--comprising 456 challenging items. Our extensive evaluations on state-of-the-art LLMs using AlgGeoTest reveal profound deficits in their comprehension of algebraic geometry, providing a more precise measure of their true mathematical capabilities. Our framework and benchmark pave the way for a new wave of in-depth research into the mathematical intelligence of AI systems.

While previous AI Scientist systems can generate novel findings, they often lack the focus to produce scientifically valuable contributions that address pressing human-defined challenges. We introduce DeepScientist, a system designed to overcome this by conducting goal-oriented, fully autonomous scientific discovery over month-long timelines. It formalizes discovery as a Bayesian Optimization problem, operationalized through a hierarchical evaluation process consisting of "hypothesize, verify, and analyze". Leveraging a cumulative Findings Memory, this loop intelligently balances the exploration of novel hypotheses with exploitation, selectively promoting the most promising findings to higher-fidelity levels of validation. Consuming over 20,000 GPU hours, the system generated about 5,000 unique scientific ideas and experimentally validated approximately 1100 of them, ultimately surpassing human-designed state-of-the-art (SOTA) methods on three frontier AI tasks by 183.7\%, 1.9\%, and 7.9\%. This work provides the first large-scale evidence of an AI achieving discoveries that progressively surpass human SOTA on scientific tasks, producing valuable findings that genuinely push the frontier of scientific discovery. To facilitate further research into this process, we will open-source all experimental logs and system code at https://github.com/ResearAI/DeepScientist/.

Mathematical reasoning represents a critical frontier in advancing large language models (LLMs). While step-by-step approaches have emerged as the dominant paradigm for mathematical problem-solving in LLMs, the quality of reasoning steps in training data fundamentally constrains the performance of the models. Recent studies has demonstrated that more detailed intermediate steps can enhance model performance, yet existing methods for step expansion either require more powerful external models or incur substantial computational costs. In this paper, we introduce MathFimer, a novel framework for mathematical reasoning step expansion inspired by the "Fill-in-the-middle" task from code completion. By decomposing solution chains into prefix-suffix pairs and training models to reconstruct missing intermediate steps, we develop a specialized model, MathFimer-7B, on our carefully curated NuminaMath-FIM dataset. We then apply these models to enhance existing mathematical reasoning datasets by inserting detailed intermediate steps into their solution chains, creating MathFimer-expanded versions. Through comprehensive experiments on multiple mathematical reasoning datasets, including MathInstruct, MetaMathQA and etc., we demonstrate that models trained on MathFimer-expanded data consistently outperform their counterparts trained on original data across various benchmarks such as GSM8K and MATH. Our approach offers a practical, scalable solution for enhancing mathematical reasoning capabilities in LLMs without relying on powerful external models or expensive inference procedures.

Large Language Models (LLMs) have emerged as transformative tools in artificial intelligence, capable of processing and understanding extensive human knowledge to enhance problem-solving across various domains. This paper explores the potential of LLMs to drive the discovery of symbolic solutions within scientific and engineering disciplines, where such solutions are crucial for advancing theoretical and practical applications. We propose a novel framework that utilizes LLMs in an evolutionary search methodology, augmented by a dynamic knowledge library that integrates and refines insights in an open-ended manner. This approach aims to tackle the dual challenges of efficiently navigating complex symbolic representation spaces and leveraging both existing and newly generated knowledge to foster open-ended innovation. By enabling LLMs to interact with and expand upon a knowledge library, we facilitate the continuous generation of novel solutions in diverse forms such as language, code, and mathematical expressions. Our experimental results demonstrate that this method not only enhances the efficiency of searching for symbolic solutions but also supports the ongoing discovery process, akin to human scientific endeavors. This study represents a first effort in conceptualizing the search for symbolic solutions as a lifelong, iterative process, marking a significant step towards harnessing AI in the perpetual pursuit of scientific and engineering breakthroughs. We have open-sourced our code and data, please visit https://github.com/pgg3/CoEvo for more information.

Mathematical reasoning serves as a cornerstone for assessing the fundamental cognitive capabilities of human intelligence. In recent times, there has been a notable surge in the development of Large Language Models (LLMs) geared towards the automated resolution of mathematical problems. However, the landscape of mathematical problem types is vast and varied, with LLM-oriented techniques undergoing evaluation across diverse datasets and settings. This diversity makes it challenging to discern the true advancements and obstacles within this burgeoning field. This survey endeavors to address four pivotal dimensions: i) a comprehensive exploration of the various mathematical problems and their corresponding datasets that have been investigated; ii) an examination of the spectrum of LLM-oriented techniques that have been proposed for mathematical problem-solving; iii) an overview of factors and concerns affecting LLMs in solving math; and iv) an elucidation of the persisting challenges within this domain. To the best of our knowledge, this survey stands as one of the first extensive examinations of the landscape of LLMs in the realm of mathematics, providing a holistic perspective on the current state, accomplishments, and future challenges in this rapidly evolving field.

Recent advances in LLMs have made automated scientific research the next frontline in the path to artificial superintelligence. However, these systems are bound either to tasks of narrow scope or the limited creative capabilities of LLMs. We propose Spacer, a scientific discovery system that develops creative and factually grounded concepts without external intervention. Spacer attempts to achieve this via 'deliberate decontextualization,' an approach that disassembles information into atomic units - keywords - and draws creativity from unexplored connections between them. Spacer consists of (i) Nuri, an inspiration engine that builds keyword sets, and (ii) the Manifesting Pipeline that refines these sets into elaborate scientific statements. Nuri extracts novel, high-potential keyword sets from a keyword graph built with 180,000 academic publications in biological fields. The Manifesting Pipeline finds links between keywords, analyzes their logical structure, validates their plausibility, and ultimately drafts original scientific concepts. According to our experiments, the evaluation metric of Nuri accurately classifies high-impact publications with an AUROC score of 0.737. Our Manifesting Pipeline also successfully reconstructs core concepts from the latest top-journal articles solely from their keyword sets. An LLM-based scoring system estimates that this reconstruction was sound for over 85% of the cases. Finally, our embedding space analysis shows that outputs from Spacer are significantly more similar to leading publications compared with those from SOTA LLMs.

Human mathematicians are often good at recognizing modular and reusable theorems that make complex mathematical results within reach. In this paper, we propose a novel method called theoREm-from-prooF extrACTOR (REFACTOR) for training neural networks to mimic this ability in formal mathematical theorem proving. We show on a set of unseen proofs, REFACTOR is able to extract 19.6% of the theorems that humans would use to write the proofs. When applying the model to the existing Metamath library, REFACTOR extracted 16 new theorems. With newly extracted theorems, we show that the existing proofs in the MetaMath database can be refactored. The new theorems are used very frequently after refactoring, with an average usage of 733.5 times, and help shorten the proof lengths. Lastly, we demonstrate that the prover trained on the new-theorem refactored dataset proves more test theorems and outperforms state-of-the-art baselines by frequently leveraging a diverse set of newly extracted theorems. Code can be found at https://github.com/jinpz/refactor.

Advancements in LLMs have significantly expanded their capabilities across various domains. However, mathematical reasoning remains a challenging area, prompting the development of math-specific LLMs. These models typically follow a two-stage training paradigm: pre-training with math-related corpora and post-training with problem datasets for SFT. Despite these efforts, the improvements in mathematical reasoning achieved through continued pre-training (CPT) are often less significant compared to those obtained via SFT. This study addresses this discrepancy by exploring alternative strategies during the pre-training phase, focusing on the use of problem-solving data over general mathematical corpora. We investigate three primary research questions: (1) Can problem-solving data enhance the model's mathematical reasoning capabilities more effectively than general mathematical corpora during CPT? (2) Are synthetic data from the same source equally effective, and which synthesis methods are most efficient? (3) How do the capabilities developed from the same problem-solving data differ between the CPT and SFT stages, and what factors contribute to these differences? Our findings indicate that problem-solving data significantly enhances the model's mathematical capabilities compared to general mathematical corpora. We also identify effective data synthesis methods, demonstrating that the tutorship amplification synthesis method achieves the best performance. Furthermore, while SFT facilitates instruction-following abilities, it underperforms compared to CPT with the same data, which can be partially attributed to its poor learning capacity for hard multi-step problem-solving data. These insights provide valuable guidance for optimizing the mathematical reasoning capabilities of LLMs, culminating in our development of a powerful mathematical base model called JiuZhang-8B.

Scientific discovery contributes largely to human society's prosperity, and recent progress shows that LLMs could potentially catalyze this process. However, it is still unclear whether LLMs can discover novel and valid hypotheses in chemistry. In this work, we investigate this central research question: Can LLMs automatically discover novel and valid chemistry research hypotheses given only a chemistry research background (consisting of a research question and/or a background survey), without limitation on the domain of the research question? After extensive discussions with chemistry experts, we propose an assumption that a majority of chemistry hypotheses can be resulted from a research background and several inspirations. With this key insight, we break the central question into three smaller fundamental questions. In brief, they are: (1) given a background question, whether LLMs can retrieve good inspirations; (2) with background and inspirations, whether LLMs can lead to hypothesis; and (3) whether LLMs can identify good hypotheses to rank them higher. To investigate these questions, we construct a benchmark consisting of 51 chemistry papers published in Nature, Science, or a similar level in 2024 (all papers are only available online since 2024). Every paper is divided by chemistry PhD students into three components: background, inspirations, and hypothesis. The goal is to rediscover the hypothesis, given only the background and a large randomly selected chemistry literature corpus consisting the ground truth inspiration papers, with LLMs trained with data up to 2023. We also develop an LLM-based multi-agent framework that leverages the assumption, consisting of three stages reflecting the three smaller questions. The proposed method can rediscover many hypotheses with very high similarity with the ground truth ones, covering the main innovations.

Recent large-scale language models (LLMs) with long Chain-of-Thought reasoning-such as DeepSeek-R1-have achieved impressive results on Olympiad-level mathematics benchmarks. However, they often rely on a narrow set of strategies and struggle with problems that require a novel way of thinking. To systematically investigate these limitations, we introduce OMEGA-Out-of-distribution Math Problems Evaluation with 3 Generalization Axes-a controlled yet diverse benchmark designed to evaluate three axes of out-of-distribution generalization, inspired by Boden's typology of creativity: (1) Exploratory-applying known problem solving skills to more complex instances within the same problem domain; (2) Compositional-combining distinct reasoning skills, previously learned in isolation, to solve novel problems that require integrating these skills in new and coherent ways; and (3) Transformative-adopting novel, often unconventional strategies by moving beyond familiar approaches to solve problems more effectively. OMEGA consists of programmatically generated training-test pairs derived from templated problem generators across geometry, number theory, algebra, combinatorics, logic, and puzzles, with solutions verified using symbolic, numerical, or graphical methods. We evaluate frontier (or top-tier) LLMs and observe sharp performance degradation as problem complexity increases. Moreover, we fine-tune the Qwen-series models across all generalization settings and observe notable improvements in exploratory generalization, while compositional generalization remains limited and transformative reasoning shows little to no improvement. By isolating and quantifying these fine-grained failures, OMEGA lays the groundwork for advancing LLMs toward genuine mathematical creativity beyond mechanical proficiency.

Large Language Model (LLM)-based multi-agent systems (MAS) demonstrate remarkable potential for scientific discovery. Existing approaches, however, often automate scientific discovery using predefined workflows that lack rationality constraints. This often leads to aimless hypothesizing and a failure to consistently link hypotheses with evidence, thereby hindering systematic uncertainty reduction. Overcoming these limitations fundamentally requires systematic uncertainty reduction. We introduce PiFlow, an information-theoretical framework, treating automated scientific discovery as a structured uncertainty reduction problem guided by principles (e.g., scientific laws). In evaluations across three distinct scientific domains -- discovering nanomaterial structures, bio-molecules, and superconductor candidates with targeted properties -- our method significantly improves discovery efficiency, reflected by a 73.55\% increase in the Area Under the Curve (AUC) of property values versus exploration steps, and enhances solution quality by 94.06\% compared to a vanilla agent system. Overall, PiFlow serves as a Plug-and-Play method, establishing a novel paradigm shift in highly efficient automated scientific discovery, paving the way for more robust and accelerated AI-driven research. Code is publicly available at our https://github.com/amair-lab/PiFlow{GitHub}.

Large language models (LLMs) have significantly advanced natural language understanding and demonstrated strong problem-solving abilities. Despite these successes, most LLMs still struggle with solving mathematical problems due to the intricate reasoning required. This paper investigates the mathematical problem-solving capabilities of LLMs using the newly developed "MathOdyssey" dataset. The dataset includes diverse mathematical problems at high school and university levels, created by experts from notable institutions to rigorously test LLMs in advanced problem-solving scenarios and cover a wider range of subject areas. By providing the MathOdyssey dataset as a resource to the AI community, we aim to contribute to the understanding and improvement of AI capabilities in complex mathematical problem-solving. We conduct benchmarking on open-source models, such as Llama-3 and DBRX-Instruct, and closed-source models from the GPT series and Gemini models. Our results indicate that while LLMs perform well on routine and moderately difficult tasks, they face significant challenges with Olympiad-level problems and complex university-level questions. Our analysis shows a narrowing performance gap between open-source and closed-source models, yet substantial challenges remain, particularly with the most demanding problems. This study highlights the ongoing need for research to enhance the mathematical reasoning of LLMs. The dataset, results, and code are publicly available.

Machine learning is becoming an increasingly valuable tool in mathematics, enabling one to identify subtle patterns across collections of examples so vast that they would be impossible for a single researcher to feasibly review and analyze. In this work, we use graph neural networks to investigate quiver mutation -- an operation that transforms one quiver (or directed multigraph) into another -- which is central to the theory of cluster algebras with deep connections to geometry, topology, and physics. In the study of cluster algebras, the question of mutation equivalence is of fundamental concern: given two quivers, can one efficiently determine if one quiver can be transformed into the other through a sequence of mutations? In this paper, we use graph neural networks and AI explainability techniques to independently discover mutation equivalence criteria for quivers of type D. Along the way, we also show that even without explicit training to do so, our model captures structure within its hidden representation that allows us to reconstruct known criteria from type D, adding to the growing evidence that modern machine learning models are capable of learning abstract and parsimonious rules from mathematical data.

Symbolic regression (SR) is a powerful technique for discovering the underlying mathematical expressions from observed data. Inspired by the success of deep learning, recent efforts have focused on two categories for SR methods. One is using a neural network or genetic programming to search the expression tree directly. Although this has shown promising results, the large search space poses difficulties in learning constant factors and processing high-dimensional problems. Another approach is leveraging a transformer-based model training on synthetic data and offers advantages in inference speed. However, this method is limited to fixed small numbers of dimensions and may encounter inference problems when given data is out-of-distribution compared to the synthetic data. In this work, we propose DySymNet, a novel neural-guided Dynamic Symbolic Network for SR. Instead of searching for expressions within a large search space, we explore DySymNet with various structures and optimize them to identify expressions that better-fitting the data. With a topology structure like neural networks, DySymNet not only tackles the challenge of high-dimensional problems but also proves effective in optimizing constants. Based on extensive numerical experiments using low-dimensional public standard benchmarks and the well-known SRBench with more variables, our method achieves state-of-the-art performance in terms of fitting accuracy and robustness to noise.

Mathematical researchers, especially those in early-career positions, face critical decisions about topic specialization with limited information about the collaborative environments of different research areas. The aim of this paper is to study how the popularity of a research topic is associated with the structure of that topic's collaboration network, as observed by a suite of measures capturing organizational structure at several scales. We apply these measures to 1,938 algorithmically discovered topics across 121,391 papers sourced from arXiv metadata during the period 2020--2025. Our analysis, which controls for the confounding effects of network size, reveals a structural dichotomy--we find that popular topics organize into modular "schools of thought," while niche topics maintain hierarchical core-periphery structures centered around established experts. This divide is not an artifact of scale, but represents a size-independent structural pattern correlated with popularity. We also document a "constraint reversal": after controlling for size, researchers in popular fields face greater structural constraints on collaboration opportunities, contrary to conventional expectations. Our findings suggest that topic selection is an implicit choice between two fundamentally different collaborative environments, each with distinct implications for a researcher's career. To make these structural patterns transparent to the research community, we developed the Math Research Compass (https://mathresearchcompass.com), an interactive platform providing data on topic popularity and collaboration patterns across mathematical topics.

Using Large Language Models for complex mathematical reasoning is difficult, primarily due to the complexity of multi-step reasoning. The main challenges of this process include (1) selecting critical intermediate results to advance the procedure, and (2) limited exploration of potential solutions. To address these issues, we introduce a novel algorithm, namely Stepwise Self-Consistent Chain-of-Thought (SSC-CoT). SSC-CoT employs a strategy of selecting intermediate steps based on the intersection of various reasoning chains. Additionally, SSC-CoT enables the model to discover critical intermediate steps by querying a knowledge graph comprising relevant domain knowledge. To validate SSC-CoT, we present a new dataset, TriMaster100, tailored for complex trigonometry problems. This dataset contains 100 questions, with each solution broken down into scored intermediate steps, facilitating a comprehensive evaluation of the mathematical reasoning process. On TriMaster100, SSC-CoT triples the effectiveness of the state-of-the-art methods. Furthermore, we benchmark SSC-CoT on the widely recognized complex mathematical question dataset, MATH level 5, and it surpasses the second-best method by 7.2% in accuracy. Code and the TriMaster100 dataset can be found at: https://github.com/zhao-zilong/ssc-cot.

Faithful evaluation of language model capabilities is crucial for deriving actionable insights that can inform model development. However, rigorous causal evaluations in this domain face significant methodological challenges, including complex confounding effects and prohibitive computational costs associated with extensive retraining. To tackle these challenges, we propose a causal representation learning framework wherein observed benchmark performance is modeled as a linear transformation of a few latent capability factors. Crucially, these latent factors are identified as causally interrelated after appropriately controlling for the base model as a common confounder. Applying this approach to a comprehensive dataset encompassing over 1500 models evaluated across six benchmarks from the Open LLM Leaderboard, we identify a concise three-node linear causal structure that reliably explains the observed performance variations. Further interpretation of this causal structure provides substantial scientific insights beyond simple numerical rankings: specifically, we reveal a clear causal direction starting from general problem-solving capabilities, advancing through instruction-following proficiency, and culminating in mathematical reasoning ability. Our results underscore the essential role of carefully controlling base model variations during evaluation, a step critical to accurately uncovering the underlying causal relationships among latent model capabilities.

Tremendous progress has been made in reinforcement learning (RL) over the past decade. Most of these advancements came through the continual development of new algorithms, which were designed using a combination of mathematical derivations, intuitions, and experimentation. Such an approach of creating algorithms manually is limited by human understanding and ingenuity. In contrast, meta-learning provides a toolkit for automatic machine learning method optimisation, potentially addressing this flaw. However, black-box approaches which attempt to discover RL algorithms with minimal prior structure have thus far not outperformed existing hand-crafted algorithms. Mirror Learning, which includes RL algorithms, such as PPO, offers a potential middle-ground starting point: while every method in this framework comes with theoretical guarantees, components that differentiate them are subject to design. In this paper we explore the Mirror Learning space by meta-learning a "drift" function. We refer to the immediate result as Learnt Policy Optimisation (LPO). By analysing LPO we gain original insights into policy optimisation which we use to formulate a novel, closed-form RL algorithm, Discovered Policy Optimisation (DPO). Our experiments in Brax environments confirm state-of-the-art performance of LPO and DPO, as well as their transfer to unseen settings.

The pursuit of automated scientific discovery has fueled progress from symbolic logic to modern AI, forging new frontiers in reasoning and pattern recognition. Transformers function as potential systems, where every possible relationship remains latent potentiality until tasks impose constraints, akin to measurement. Yet, refining their sampling requires more than probabilistic selection: solutions must conform to specific structures or rules, ensuring consistency and the invocation of general principles. We present Graph-PReFLexOR (Graph-based Preference-based Recursive Language Modeling for Exploratory Optimization of Reasoning), a framework that combines graph reasoning with symbolic abstraction to dynamically expand domain knowledge. Inspired by reinforcement learning, Graph-PReFLexOR defines reasoning as a structured mapping, where tasks yield knowledge graphs, abstract patterns, and ultimately, final answers. Inspired by category theory, it encodes concepts as nodes and their relationships as edges, supporting hierarchical inference and adaptive learning through isomorphic representations. Demonstrations include hypothesis generation, materials design, and creative reasoning, such as discovering relationships between mythological concepts like 'thin places' with materials science. We propose a 'knowledge garden growth' strategy that integrates insights across domains, promoting interdisciplinary connections. Results with a 3-billion-parameter Graph-PReFLexOR model show superior reasoning depth and adaptability, underscoring the potential for transparent, multidisciplinary AI-driven discovery. It lays the groundwork for general autonomous reasoning solutions.

Gravitational waves, detected a century after they were first theorized, are spacetime distortions caused by some of the most cataclysmic events in the universe, including black hole mergers and supernovae. The successful detection of these waves has been made possible by ingenious detectors designed by human experts. Beyond these successful designs, the vast space of experimental configurations remains largely unexplored, offering an exciting territory potentially rich in innovative and unconventional detection strategies. Here, we demonstrate the application of artificial intelligence (AI) to systematically explore this enormous space, revealing novel topologies for gravitational wave (GW) detectors that outperform current next-generation designs under realistic experimental constraints. Our results span a broad range of astrophysical targets, such as black hole and neutron star mergers, supernovae, and primordial GW sources. Moreover, we are able to conceptualize the initially unorthodox discovered designs, emphasizing the potential of using AI algorithms not only in discovering but also in understanding these novel topologies. We've assembled more than 50 superior solutions in a publicly available Gravitational Wave Detector Zoo which could lead to many new surprising techniques. At a bigger picture, our approach is not limited to gravitational wave detectors and can be extended to AI-driven design of experiments across diverse domains of fundamental physics.

Multi-modal Large Language Models (MLLMs) exhibit impressive problem-solving abilities in various domains, but their visual comprehension and abstract reasoning skills remain under-evaluated. To this end, we present PolyMATH, a challenging benchmark aimed at evaluating the general cognitive reasoning abilities of MLLMs. PolyMATH comprises 5,000 manually collected high-quality images of cognitive textual and visual challenges across 10 distinct categories, including pattern recognition, spatial reasoning, and relative reasoning. We conducted a comprehensive, and quantitative evaluation of 15 MLLMs using four diverse prompting strategies, including Chain-of-Thought and Step-Back. The best scores achieved on PolyMATH are ~41%, ~36%, and ~27%, obtained by Claude-3.5 Sonnet, GPT-4o and Gemini-1.5 Pro respectively - highlighting the logical and visual complexity of these questions. A further fine-grained error analysis reveals that these models struggle to understand spatial relations and perform drawn-out, high-level reasoning. This is further strengthened by our ablation study estimating MLLM performance when given textual descriptions in place of diagrams. As evidenced by ~4% improvement over textual descriptions as opposed to actual images, we discover that models do not truly comprehend visual diagrams and the spatial information therein, and are thus prone to logical errors. Finally, we evaluate the OpenAI o1 models and find that their performance only matches the human baseline, highlighting the difficulty of the benchmark. The results on PolyMATH highlight the room for improvement in multi-modal reasoning and provide unique insights to guide the development of future MLLMs.

In this paper, we propose a new mixed-integer linear programming (MILP) model ontology and a novel constraint typology of MILP formulations. MILP is a commonly used mathematical programming technique for modelling and solving real-life scheduling, routing, planning, resource allocation, and timetabling optimization problems providing optimized business solutions for industry sectors such as manufacturing, agriculture, defence, healthcare, medicine, energy, finance, and transportation. Despite the numerous real-life Combinatorial Optimization Problems found and solved and millions yet to be discovered and formulated, the number of types of constraints (the building blocks of a MILP) is relatively small. In the search for a suitable machine-readable knowledge representation structure for MILPs, we propose an optimization modelling tree built based upon an MILP model ontology that can be used as a guide for automated systems to elicit an MILP model from end-users on their combinatorial business optimization problems. Our ultimate aim is to develop a machine-readable knowledge representation for MILP that allows us to map an end-user's natural language description of the business optimization problem to an MILP formal specification as a first step towards automated mathematical modelling.

Understanding sentences that contain mathematical expressions in text form poses significant challenges. To address this, the importance of converting these expressions into formula images has been highlighted. For instance, the expression ``x equals minus b plus or minus the square root of b squared minus four a c, all over two a'' is more readily comprehensible when displayed as an image x = -b pm sqrt{b^2 - 4ac}{2a}. To develop a text-to-image conversion system, we can break down the process into text-to-LaTeX and LaTeX-to-image conversions, with the latter being managed with by existing various LaTeX engines. However, the former approach has been notably hindered by the severe scarcity of text-to-LaTeX paired data, presenting a significant challenge in the field.In this context, we introduce MathBridge, the first extensive dataset for translating mathematical spoken English into LaTeX, which aims to establish a robust baseline for future research in text-to-LaTeX translation. MathBridge comprises approximately 23 million LaTeX formulas paired with corresponding spoken English expressions. Through comprehensive evaluations, including fine-tuning and testing with data, we discovered that MathBridge significantly enhances pre-trained language models' capabilities for text-to-LaTeX translation. Specifically, for the T5-large model, the sacreBLEU score increased from 4.77 to 46.8, demonstrating substantial enhancement. Our findings indicate the necessity for a new metric specifically for text-to-LaTeX conversion evaluation.

We present Prover Agent, a novel AI agent for automated theorem proving that integrates large language models (LLMs) with a formal proof assistant, Lean. Prover Agent coordinates an informal reasoning LLM, a formal prover model, and feedback from Lean while also generating auxiliary lemmas. These auxiliary lemmas are not limited to subgoals in the formal proof but can also include special cases or potentially useful facts derived from the assumptions, which help in discovering a viable proof strategy. It achieves an 88.1% success rate on the MiniF2F benchmark, establishing a new state-of-the-art among methods using small language models (SLMs) with a much lower sample budget than previous approaches. We also present theoretical analyses and case studies that illustrate how these generated lemmas contribute to solving challenging problems. Our code is publicly available at: https://github.com/kAIto47802/Prover-Agent.

Current LLM training positions mathematical reasoning as a core capability. With publicly available sources fully tapped, there is unmet demand for diverse and challenging math questions. Relying solely on human experts is both time-consuming and costly, while LLM-generated questions often lack the requisite diversity and difficulty. We present a design framework that combines the strengths of LLMs with a human-in-the-loop approach to generate a diverse array of challenging math questions. We leverage LLM metacognition skills [Didolkar et al., 2024] of a strong LLM to extract core "skills" from existing math datasets. These skills serve as the basis for generating novel and difficult questions by prompting the LLM with random pairs of core skills. The use of two different skills within each question makes finding such questions an "out of distribution" task for both LLMs and humans. Our pipeline employs LLMs to iteratively generate and refine questions and solutions through multiturn prompting. Human annotators then verify and further refine the questions, with their efficiency enhanced via further LLM interactions. Applying this pipeline on skills extracted from the MATH dataset [Hendrycks et al., 2021] resulted in MATH^2 - a dataset of higher-quality math questions, as evidenced by: (a) Lower performance of all models on MATH^2 than on MATH (b) Higher performance on MATH when using MATH^2 questions as in-context examples. Although focused on mathematics, our methodology seems applicable to other domains requiring structured reasoning, and potentially as a component of scalable oversight. Also of interest is a striking relationship observed between models' performance on the new dataset: the success rate on MATH^2 is the square on MATH, suggesting that successfully solving the question in MATH^2 requires a nontrivial combination of two distinct math skills.

Large reasoning models (e.g., R1, o3) have demonstrated remarkable mathematical problem-solving abilities. However, the high reported accuracy of these advanced models on popular datasets, reliance on purely numerical evaluation and potential benchmark leakage, often masks their true reasoning shortcomings. To address this, we propose leveraging the inherent rigor and methodological complexity of mathematical proofs as a diagnostic tool to expose these hidden failures. Specifically, we introduce the RFMDataset (Reveal Failure Modes), a collection of 200 diverse mathematical proof problems, and thoroughly evaluate advanced models' performance on it. Our in-depth analysis of their failures uncovers 10 fine-grained error types, which shows fundamental limitations in current large reasoning models: 1) large reasoning models grapple profoundly with mathematical proofs, with some generating entirely correct proofs for less than 20% of problems and failing even on basic ones; 2) models exhibit a diverse spectrum of reasoning failures, prominently demonstrating the lack of guarantees for the correctness and rigor of single-step reasoning; and 3) models show hallucination and incompleteness during the reasoning process. Our findings reveal that models' self-reflection is insufficient to resolve the current logical dilemmas, necessitating formalized and fine-grained logical training.

In recent years, there has been remarkable progress in leveraging Language Models (LMs), encompassing Pre-trained Language Models (PLMs) and Large-scale Language Models (LLMs), within the domain of mathematics. This paper conducts a comprehensive survey of mathematical LMs, systematically categorizing pivotal research endeavors from two distinct perspectives: tasks and methodologies. The landscape reveals a large number of proposed mathematical LLMs, which are further delineated into instruction learning, tool-based methods, fundamental CoT techniques, and advanced CoT methodologies. In addition, our survey entails the compilation of over 60 mathematical datasets, including training datasets, benchmark datasets, and augmented datasets. Addressing the primary challenges and delineating future trajectories within the field of mathematical LMs, this survey is positioned as a valuable resource, poised to facilitate and inspire future innovation among researchers invested in advancing this domain.

Scientific idea generation lies at the heart of scientific discovery and has driven human progress-whether by solving unsolved problems or proposing novel hypotheses to explain unknown phenomena. Unlike standard scientific reasoning or general creative generation, idea generation in science is a multi-objective and open-ended task, where the novelty of a contribution is as essential as its empirical soundness. Large language models (LLMs) have recently emerged as promising generators of scientific ideas, capable of producing coherent and factual outputs with surprising intuition and acceptable reasoning, yet their creative capacity remains inconsistent and poorly understood. This survey provides a structured synthesis of methods for LLM-driven scientific ideation, examining how different approaches balance creativity with scientific soundness. We categorize existing methods into five complementary families: External knowledge augmentation, Prompt-based distributional steering, Inference-time scaling, Multi-agent collaboration, and Parameter-level adaptation. To interpret their contributions, we employ two complementary frameworks: Boden's taxonomy of Combinatorial, Exploratory and Transformational creativity to characterize the level of ideas each family expected to generate, and Rhodes' 4Ps framework-Person, Process, Press, and Product-to locate the aspect or source of creativity that each method emphasizes. By aligning methodological advances with creativity frameworks, this survey clarifies the state of the field and outlines key directions toward reliable, systematic, and transformative applications of LLMs in scientific discovery.

Large Language Models (LLMs) have shown remarkable abilities in structured reasoning and symbolic tasks, with coding emerging as a particular area of strength. This success has sparked growing interest in applying LLMs to mathematics, both in informal problem-solving and formal theorem proving. However, progress in formal mathematics has proven to be significantly more difficult, despite surface-level similarities between programming and proof construction. This discrepancy raises important questions about how LLMs ``reason'', how they are supervised, and whether they internally track a notion of computational or deductive state. In this article, we address the state-of-the-art of the discipline, focusing on recent models and benchmarks, and explore three central issues at the intersection of machine learning and mathematical cognition: (i) the trade-offs between formal and informal mathematics as training domains; (ii) the deeper reasons why proof generation remains more brittle than code synthesis; (iii) and the question of whether LLMs represent, or merely mimic, a notion of evolving logical state. Our goal is not to draw hard boundaries, but to identify where the current limits lie, and how they might be extended.

Employing Large Language Models (LLMs) to address mathematical problems is an intriguing research endeavor, considering the abundance of math problems expressed in natural language across numerous science and engineering fields. While several prior works have investigated solving elementary mathematics using LLMs, this work explores the frontier of using GPT-4 for solving more complex and challenging math problems. We evaluate various ways of using GPT-4. Some of them are adapted from existing work, and one is \MathChat, a conversational problem-solving framework newly proposed in this work. We perform the evaluation on difficult high school competition problems from the MATH dataset, which shows the advantage of the proposed conversational approach.

Theorem proving in natural mathematical language - the mixture of symbolic and natural language used by humans - plays a central role in mathematical advances and education, and tests aspects of reasoning that are core to intelligence. Yet it has remained underexplored with modern generative models. We study large-scale language models on two new generation tasks: suggesting the next step in a mathematical proof, and full proof generation. We develop NaturalProver, a language model that generates proofs by conditioning on background references (e.g. theorems and definitions that are either retrieved or human-provided), and optionally enforces their presence with constrained decoding. On theorems from the NaturalProofs benchmark, NaturalProver improves the quality of next-step suggestions and generated proofs over fine-tuned GPT-3, according to human evaluations from university-level mathematics students. NaturalProver is capable of proving some theorems that require short (2-6 step) proofs, and providing next-step suggestions that are rated as correct and useful over 40% of the time, which is to our knowledge the first demonstration of these capabilities using neural language models.

Large Language Models have recently gained significant attention in scientific discovery for their extensive knowledge and advanced reasoning capabilities. However, they encounter challenges in effectively simulating observational feedback and grounding it with language to propel advancements in physical scientific discovery. Conversely, human scientists undertake scientific discovery by formulating hypotheses, conducting experiments, and revising theories through observational analysis. Inspired by this, we propose to enhance the knowledge-driven, abstract reasoning abilities of LLMs with the computational strength of simulations. We introduce Scientific Generative Agent (SGA), a bilevel optimization framework: LLMs act as knowledgeable and versatile thinkers, proposing scientific hypotheses and reason about discrete components, such as physics equations or molecule structures; meanwhile, simulations function as experimental platforms, providing observational feedback and optimizing via differentiability for continuous parts, such as physical parameters. We conduct extensive experiments to demonstrate our framework's efficacy in constitutive law discovery and molecular design, unveiling novel solutions that differ from conventional human expectations yet remain coherent upon analysis.

Progress in scientific discovery is rarely the result of a single "Eureka" moment, but is rather the product of hundreds of scientists incrementally working together toward a common goal. While existing agent workflows are capable of producing research autonomously, they do so in isolation, without the ability to continuously improve upon prior research results. To address these challenges, we introduce AgentRxiv-a framework that lets LLM agent laboratories upload and retrieve reports from a shared preprint server in order to collaborate, share insights, and iteratively build on each other's research. We task agent laboratories to develop new reasoning and prompting techniques and find that agents with access to their prior research achieve higher performance improvements compared to agents operating in isolation (11.4% relative improvement over baseline on MATH-500). We find that the best performing strategy generalizes to benchmarks in other domains (improving on average by 3.3%). Multiple agent laboratories sharing research through AgentRxiv are able to work together towards a common goal, progressing more rapidly than isolated laboratories, achieving higher overall accuracy (13.7% relative improvement over baseline on MATH-500). These findings suggest that autonomous agents may play a role in designing future AI systems alongside humans. We hope that AgentRxiv allows agents to collaborate toward research goals and enables researchers to accelerate discovery.

Solving math story problems is a complex task for students and NLP models alike, requiring them to understand the world as described in the story and reason over it to compute an answer. Recent years have seen impressive performance on automatically solving these problems with large pre-trained language models and innovative techniques to prompt them. However, it remains unclear if these models possess accurate representations of mathematical concepts. This leads to lack of interpretability and trustworthiness which impedes their usefulness in various applications. In this paper, we consolidate previous work on categorizing and representing math story problems and develop MathWorld, which is a graph-based semantic formalism specific for the domain of math story problems. With MathWorld, we can assign world models to math story problems which represent the situations and actions introduced in the text and their mathematical relationships. We combine math story problems from several existing datasets and annotate a corpus of 1,019 problems and 3,204 logical forms with MathWorld. Using this data, we demonstrate the following use cases of MathWorld: (1) prompting language models with synthetically generated question-answer pairs to probe their reasoning and world modeling abilities, and (2) generating new problems by using the world models as a design space.

Proving geometric theorems constitutes a hallmark of visual reasoning combining both intuitive and logical skills. Therefore, automated theorem proving of Olympiad-level geometry problems is considered a notable milestone in human-level automated reasoning. The introduction of AlphaGeometry, a neuro-symbolic model trained with 100 million synthetic samples, marked a major breakthrough. It solved 25 of 30 International Mathematical Olympiad (IMO) problems whereas the reported baseline based on Wu's method solved only ten. In this note, we revisit the IMO-AG-30 Challenge introduced with AlphaGeometry, and find that Wu's method is surprisingly strong. Wu's method alone can solve 15 problems, and some of them are not solved by any of the other methods. This leads to two key findings: (i) Combining Wu's method with the classic synthetic methods of deductive databases and angle, ratio, and distance chasing solves 21 out of 30 methods by just using a CPU-only laptop with a time limit of 5 minutes per problem. Essentially, this classic method solves just 4 problems less than AlphaGeometry and establishes the first fully symbolic baseline strong enough to rival the performance of an IMO silver medalist. (ii) Wu's method even solves 2 of the 5 problems that AlphaGeometry failed to solve. Thus, by combining AlphaGeometry with Wu's method we set a new state-of-the-art for automated theorem proving on IMO-AG-30, solving 27 out of 30 problems, the first AI method which outperforms an IMO gold medalist.

We investigate the mathematical capabilities of ChatGPT by testing it on publicly available datasets, as well as hand-crafted ones, and measuring its performance against other models trained on a mathematical corpus, such as Minerva. We also test whether ChatGPT can be a useful assistant to professional mathematicians by emulating various use cases that come up in the daily professional activities of mathematicians (question answering, theorem searching). In contrast to formal mathematics, where large databases of formal proofs are available (e.g., the Lean Mathematical Library), current datasets of natural-language mathematics, used to benchmark language models, only cover elementary mathematics. We address this issue by introducing a new dataset: GHOSTS. It is the first natural-language dataset made and curated by working researchers in mathematics that (1) aims to cover graduate-level mathematics and (2) provides a holistic overview of the mathematical capabilities of language models. We benchmark ChatGPT on GHOSTS and evaluate performance against fine-grained criteria. We make this new dataset publicly available to assist a community-driven comparison of ChatGPT with (future) large language models in terms of advanced mathematical comprehension. We conclude that contrary to many positive reports in the media (a potential case of selection bias), ChatGPT's mathematical abilities are significantly below those of an average mathematics graduate student. Our results show that ChatGPT often understands the question but fails to provide correct solutions. Hence, if your goal is to use it to pass a university exam, you would be better off copying from your average peer!

One of the grand challenges of artificial general intelligence is developing agents capable of conducting scientific research and discovering new knowledge. While frontier models have already been used as aids to human scientists, e.g. for brainstorming ideas, writing code, or prediction tasks, they still conduct only a small part of the scientific process. This paper presents the first comprehensive framework for fully automatic scientific discovery, enabling frontier large language models to perform research independently and communicate their findings. We introduce The AI Scientist, which generates novel research ideas, writes code, executes experiments, visualizes results, describes its findings by writing a full scientific paper, and then runs a simulated review process for evaluation. In principle, this process can be repeated to iteratively develop ideas in an open-ended fashion, acting like the human scientific community. We demonstrate its versatility by applying it to three distinct subfields of machine learning: diffusion modeling, transformer-based language modeling, and learning dynamics. Each idea is implemented and developed into a full paper at a cost of less than $15 per paper. To evaluate the generated papers, we design and validate an automated reviewer, which we show achieves near-human performance in evaluating paper scores. The AI Scientist can produce papers that exceed the acceptance threshold at a top machine learning conference as judged by our automated reviewer. This approach signifies the beginning of a new era in scientific discovery in machine learning: bringing the transformative benefits of AI agents to the entire research process of AI itself, and taking us closer to a world where endless affordable creativity and innovation can be unleashed on the world's most challenging problems. Our code is open-sourced at https://github.com/SakanaAI/AI-Scientist

Large Language Models (LLMs) have exhibited exceptional performance across a broad range of tasks and domains. However, they still encounter difficulties in solving mathematical problems due to the rigorous and logical nature of mathematics. Previous studies have employed techniques such as supervised fine-tuning (SFT), prompt engineering, and search-based methods to improve the mathematical problem-solving abilities of LLMs. Despite these efforts, their performance remains suboptimal and demands substantial computational resources. To address this issue, we propose a novel approach, BEATS, to enhance mathematical problem-solving abilities. Our method leverages newly designed prompts that guide the model to iteratively rewrite, advance by one step, and generate answers based on previous steps. Additionally, we introduce a new back-verification technique that uses LLMs to validate the correctness of the generated answers. Furthermore, we employ a pruning tree search to optimize search time while achieving strong performance. Notably, our method improves Qwen2-7b-Instruct's score from 36.94 to 61.52, outperforming GPT4's 42.5 on the MATH benchmark.

sec:abstract Large Language Models (LLMs) have shown promise in assisting scientific discovery. However, such applications are currently limited by LLMs' deficiencies in understanding intricate scientific concepts, deriving symbolic equations, and solving advanced numerical calculations. To bridge these gaps, we introduce SciGLM, a suite of scientific language models able to conduct college-level scientific reasoning. Central to our approach is a novel self-reflective instruction annotation framework to address the data scarcity challenge in the science domain. This framework leverages existing LLMs to generate step-by-step reasoning for unlabelled scientific questions, followed by a process of self-reflective critic-and-revise. Applying this framework, we curated SciInstruct, a diverse and high-quality dataset encompassing mathematics, physics, chemistry, and formal proofs. We fine-tuned the ChatGLM family of language models with SciInstruct, enhancing their capabilities in scientific and mathematical reasoning. Remarkably, SciGLM consistently improves both the base model (ChatGLM3-6B-Base) and larger-scale models (12B and 32B), without sacrificing the language understanding capabilities of the base model. This makes SciGLM a suitable foundational model to facilitate diverse scientific discovery tasks. For the benefit of the wider research community, we release SciInstruct, SciGLM, alongside a self-reflective framework and fine-tuning code at https://github.com/THUDM/SciGLM.

Solving Olympiad-level mathematical problems represents a significant advancement in machine intelligence and automated reasoning. Current machine learning methods, however, struggle to solve Olympiad-level problems beyond Euclidean plane geometry due to a lack of large-scale, high-quality datasets. The challenge is even greater in algebraic systems, which involve infinite reasoning spaces within finite conditions. To address these issues, we propose AIPS, an Algebraic Inequality Proving System capable of autonomously generating complex inequality theorems and effectively solving Olympiad-level inequality problems without requiring human demonstrations. During proof search in a mixed reasoning manner, a value curriculum learning strategy on generated datasets is implemented to improve proving performance, demonstrating strong mathematical intuitions. On a test set of 20 International Mathematical Olympiad-level inequality problems, AIPS successfully solved 10, outperforming state-of-the-art methods. Furthermore, AIPS automatically generated a vast array of non-trivial theorems without human intervention, some of which have been evaluated by professional contestants and deemed to reach the level of the International Mathematical Olympiad. Notably, one theorem was selected as a competition problem in a major city 2024 Mathematical Olympiad.

In the absence of extensive human-annotated data for complex reasoning tasks, self-improvement -- where models are trained on their own outputs -- has emerged as a primary method for enhancing performance. However, the critical factors underlying the mechanism of these iterative self-improving methods remain poorly understood, such as under what conditions self-improvement is effective, and what are the bottlenecks in the current iterations. In this work, we identify and propose methods to monitor two pivotal factors in this iterative process: (1) the model's ability to generate sufficiently diverse responses (exploration); and (2) the effectiveness of external rewards in distinguishing high-quality candidates from lower-quality ones (exploitation). Using mathematical reasoning as a case study, we begin with a quantitative analysis to track the dynamics of exploration and exploitation, discovering that a model's exploratory capabilities rapidly deteriorate over iterations, and the effectiveness of exploiting external rewards diminishes as well. Motivated by these findings, we introduce B-STaR, a Self-Taught Reasoning framework that autonomously adjusts configurations across iterations to Balance exploration and exploitation, thereby optimizing the self-improving effectiveness based on the current policy model and available rewards. Our experiments on mathematical reasoning, coding, and commonsense reasoning demonstrate that B-STaR not only enhances the model's exploratory capabilities throughout training but also achieves a more effective balance between exploration and exploitation, leading to superior performance.

Geometry problem solving is a well-recognized testbed for evaluating the high-level multi-modal reasoning capability of deep models. In most existing works, two main geometry problems: calculation and proving, are usually treated as two specific tasks, hindering a deep model to unify its reasoning capability on multiple math tasks. However, in essence, these two tasks have similar problem representations and overlapped math knowledge which can improve the understanding and reasoning ability of a deep model on both two tasks. Therefore, we construct a large-scale Unified Geometry problem benchmark, UniGeo, which contains 4,998 calculation problems and 9,543 proving problems. Each proving problem is annotated with a multi-step proof with reasons and mathematical expressions. The proof can be easily reformulated as a proving sequence that shares the same formats with the annotated program sequence for calculation problems. Naturally, we also present a unified multi-task Geometric Transformer framework, Geoformer, to tackle calculation and proving problems simultaneously in the form of sequence generation, which finally shows the reasoning ability can be improved on both two tasks by unifying formulation. Furthermore, we propose a Mathematical Expression Pretraining (MEP) method that aims to predict the mathematical expressions in the problem solution, thus improving the Geoformer model. Experiments on the UniGeo demonstrate that our proposed Geoformer obtains state-of-the-art performance by outperforming task-specific model NGS with over 5.6% and 3.2% accuracies on calculation and proving problems, respectively.

We introduce MAmmoTH, a series of open-source large language models (LLMs) specifically tailored for general math problem-solving. The MAmmoTH models are trained on MathInstruct, our meticulously curated instruction tuning dataset. MathInstruct is compiled from 13 math datasets with intermediate rationales, six of which have rationales newly curated by us. It presents a unique hybrid of chain-of-thought (CoT) and program-of-thought (PoT) rationales, and also ensures extensive coverage of diverse fields in math. The hybrid of CoT and PoT not only unleashes the potential of tool use but also allows different thought processes for different math problems. As a result, the MAmmoTH series substantially outperform existing open-source models on nine mathematical reasoning datasets across all scales with an average accuracy gain between 13% and 29%. Remarkably, our MAmmoTH-7B model reaches 35% on MATH (a competition-level dataset), which exceeds the best open-source 7B model (WizardMath) by 25%, and the MAmmoTH-34B model achieves 46% accuracy on MATH, even surpassing GPT-4's CoT result. Our work underscores the importance of diverse problem coverage and the use of hybrid rationales in developing superior math generalist models.

The history of science is punctuated by serendipitous discoveries, where unexpected observations, rather than targeted hypotheses, opened new fields of inquiry. While modern autonomous laboratories excel at accelerating hypothesis testing, their optimization for efficiency risks overlooking these crucial, unplanned findings. To address this gap, we introduce SciLink, an open-source, multi-agent artificial intelligence framework designed to operationalize serendipity in materials research by creating a direct, automated link between experimental observation, novelty assessment, and theoretical simulations. The framework employs a hybrid AI strategy where specialized machine learning models perform quantitative analysis of experimental data, while large language models handle higher-level reasoning. These agents autonomously convert raw data from materials characterization techniques into falsifiable scientific claims, which are then quantitatively scored for novelty against the published literature. We demonstrate the framework's versatility across diverse research scenarios, showcasing its application to atomic-resolution and hyperspectral data, its capacity to integrate real-time human expert guidance, and its ability to close the research loop by proposing targeted follow-up experiments. By systematically analyzing all observations and contextualizing them, SciLink provides a practical framework for AI-driven materials research that not only enhances efficiency but also actively cultivates an environment ripe for serendipitous discoveries, thereby bridging the gap between automated experimentation and open-ended scientific exploration.

Many complex tasks can be decomposed into simpler, independent parts. Discovering such underlying compositional structure has the potential to enable compositional generalization. Despite progress, our most powerful systems struggle to compose flexibly. It therefore seems natural to make models more modular to help capture the compositional nature of many tasks. However, it is unclear under which circumstances modular systems can discover hidden compositional structure. To shed light on this question, we study a teacher-student setting with a modular teacher where we have full control over the composition of ground truth modules. This allows us to relate the problem of compositional generalization to that of identification of the underlying modules. In particular we study modularity in hypernetworks representing a general class of multiplicative interactions. We show theoretically that identification up to linear transformation purely from demonstrations is possible without having to learn an exponential number of module combinations. We further demonstrate empirically that under the theoretically identified conditions, meta-learning from finite data can discover modular policies that generalize compositionally in a number of complex environments.

Mathematical reasoning is an important capability of large language models~(LLMs) for real-world applications. To enhance this capability, existing work either collects large-scale math-related texts for pre-training, or relies on stronger LLMs (\eg GPT-4) to synthesize massive math problems. Both types of work generally lead to large costs in training or synthesis. To reduce the cost, based on open-source available texts, we propose an efficient way that trains a small LLM for math problem synthesis, to efficiently generate sufficient high-quality pre-training data. To achieve it, we create a dataset using GPT-4 to distill its data synthesis capability into the small LLM. Concretely, we craft a set of prompts based on human education stages to guide GPT-4, to synthesize problems covering diverse math knowledge and difficulty levels. Besides, we adopt the gradient-based influence estimation method to select the most valuable math-related texts. The both are fed into GPT-4 for creating the knowledge distillation dataset to train the small LLM. We leverage it to synthesize 6 million math problems for pre-training our JiuZhang3.0 model, which only needs to invoke GPT-4 API 9.3k times and pre-train on 4.6B data. Experimental results have shown that JiuZhang3.0 achieves state-of-the-art performance on several mathematical reasoning datasets, under both natural language reasoning and tool manipulation settings. Our code and data will be publicly released in https://github.com/RUCAIBox/JiuZhang3.0.

We present FIMO, an innovative dataset comprising formal mathematical problem statements sourced from the International Mathematical Olympiad (IMO) Shortlisted Problems. Designed to facilitate advanced automated theorem proving at the IMO level, FIMO is currently tailored for the Lean formal language. It comprises 149 formal problem statements, accompanied by both informal problem descriptions and their corresponding LaTeX-based informal proofs. Through initial experiments involving GPT-4, our findings underscore the existing limitations in current methodologies, indicating a substantial journey ahead before achieving satisfactory IMO-level automated theorem proving outcomes.

Large Language Models (LLMs) have shown impressive progress in mathematical reasoning. While data augmentation is promising to enhance mathematical problem-solving ability, current approaches are predominantly limited to instance-level modifications-such as rephrasing or generating syntactic variations-which fail to capture and leverage the intrinsic relational structures inherent in mathematical knowledge. Inspired by human learning processes, where mathematical proficiency develops through systematic exposure to interconnected concepts, we introduce MathFusion, a novel framework that enhances mathematical reasoning through cross-problem instruction synthesis. MathFusion implements this through three fusion strategies: (1) sequential fusion, which chains related problems to model solution dependencies; (2) parallel fusion, which combines analogous problems to reinforce conceptual understanding; and (3) conditional fusion, which creates context-aware selective problems to enhance reasoning flexibility. By applying these strategies, we generate a new dataset, MathFusionQA, followed by fine-tuning models (DeepSeekMath-7B, Mistral-7B, Llama3-8B) on it. Experimental results demonstrate that MathFusion achieves substantial improvements in mathematical reasoning while maintaining high data efficiency, boosting performance by 18.0 points in accuracy across diverse benchmarks while requiring only 45K additional synthetic instructions, representing a substantial improvement over traditional single-instruction approaches. Our datasets, models, and code are publicly available at https://github.com/QizhiPei/mathfusion.

Solving math word problems depends on how to articulate the problems, the lens through which models view human linguistic expressions. Real-world settings count on such a method even more due to the diverse practices of the same mathematical operations. Earlier works constrain available thinking processes by limited prediction strategies without considering their significance in acquiring mathematical knowledge. We introduce Attention-based THought Expansion Network Architecture (ATHENA) to tackle the challenges of real-world practices by mimicking human thought expansion mechanisms in the form of neural network propagation. A thought expansion recurrently generates the candidates carrying the thoughts of possible math expressions driven from the previous step and yields reasonable thoughts by selecting the valid pathways to the goal. Our experiments show that ATHENA achieves a new state-of-the-art stage toward the ideal model that is compelling in variant questions even when the informativeness in training examples is restricted.

We introduce a large-scale dataset of math word problems and an interpretable neural math problem solver that learns to map problems to operation programs. Due to annotation challenges, current datasets in this domain have been either relatively small in scale or did not offer precise operational annotations over diverse problem types. We introduce a new representation language to model precise operation programs corresponding to each math problem that aim to improve both the performance and the interpretability of the learned models. Using this representation language, our new dataset, MathQA, significantly enhances the AQuA dataset with fully-specified operational programs. We additionally introduce a neural sequence-to-program model enhanced with automatic problem categorization. Our experiments show improvements over competitive baselines in our MathQA as well as the AQuA dataset. The results are still significantly lower than human performance indicating that the dataset poses new challenges for future research. Our dataset is available at: https://math-qa.github.io/math-QA/

Earth system models suffer from various structural and parametric errors in their representation of nonlinear, multi-scale processes, leading to uncertainties in their long-term projections. The effects of many of these errors (particularly those due to fast physics) can be quantified in short-term simulations, e.g., as differences between the predicted and observed states (analysis increments). With the increase in the availability of high-quality observations and simulations, learning nudging from these increments to correct model errors has become an active research area. However, most studies focus on using neural networks, which while powerful, are hard to interpret, are data-hungry, and poorly generalize out-of-distribution. Here, we show the capabilities of Model Error Discovery with Interpretability and Data Assimilation (MEDIDA), a general, data-efficient framework that uses sparsity-promoting equation-discovery techniques to learn model errors from analysis increments. Using two-layer quasi-geostrophic turbulence as the test case, MEDIDA is shown to successfully discover various linear and nonlinear structural/parametric errors when full observations are available. Discovery from spatially sparse observations is found to require highly accurate interpolation schemes. While NNs have shown success as interpolators in recent studies, here, they are found inadequate due to their inability to accurately represent small scales, a phenomenon known as spectral bias. We show that a general remedy, adding a random Fourier feature layer to the NN, resolves this issue enabling MEDIDA to successfully discover model errors from sparse observations. These promising results suggest that with further development, MEDIDA could be scaled up to models of the Earth system and real observations.

Conducting contamination-free evaluation of mathematical capabilities can be difficult for two reasons: models may memorize a test set once it is made public, and current mathematical benchmarks are prone to overfitting due to having limited diversity of symbols and rules, coupled with closed-ended answers. This paper proposes a method to leverage these shortcomings as useful features to a construct dynamic, counterfactual benchmark, which can be used to both reveal overfitting and measure true reasoning. We demonstrate this via MatheMagic, which generates math test instances with the interpretations of numbers and operators altered, yet has automatically verifiable answers. Test instances are randomly seeded and constructed at test time to evaluate a model's induction or deduction capability, offering stability, extensibility, comparability, and robustness to overfitting. Our experiments find that models solve deduction more easily than induction, but they revert to standard math. Further analysis reveals that math-adapted models fail to exhibit a general "skill" of reasoning, and fine-tuning on induction tasks generalizes poorly.

In this paper, we present an innovative process-oriented math process reward model called Math-Shepherd, which assigns a reward score to each step of math problem solutions. The training of Math-Shepherd is achieved using automatically constructed process-wise supervision data, breaking the bottleneck of heavy reliance on manual annotation in existing work. We explore the effectiveness of Math-Shepherd in two scenarios: 1) Verification: Math-Shepherd is utilized for reranking multiple outputs generated by Large Language Models (LLMs); 2) Reinforcement Learning: Math-Shepherd is employed to reinforce LLMs with step-by-step Proximal Policy Optimization (PPO). With Math-Shepherd, a series of open-source LLMs demonstrates exceptional performance. For instance, the step-by-step PPO with Math-Shepherd significantly improves the accuracy of Mistral-7B (77.9\%to84.1\% on GSM8K and 28.6\%to33.0\% on MATH). The accuracy can be further enhanced to 89.1\% and 43.5\% on GSM8K and MATH with the verification of Math-Shepherd, respectively. We believe that automatic process supervision holds significant potential for the future evolution of LLMs.

A fundamental challenge in formal theorem proving by LLMs is the lack of high-quality training data. Although reinforcement learning or expert iteration partially mitigates this issue by alternating between LLM generating proofs and finetuning them on correctly generated ones, performance quickly plateaus due to the scarcity of correct proofs (sparse rewards). To keep improving the models with limited data, we draw inspiration from mathematicians, who continuously develop new results, partly by proposing novel conjectures or exercises (which are often variants of known results) and attempting to solve them. We design the Self-play Theorem Prover (STP) that simultaneously takes on two roles, conjecturer and prover, each providing training signals to the other. The conjecturer is trained iteratively on previously generated conjectures that are barely provable by the current prover, which incentivizes it to generate increasingly challenging conjectures over time. The prover attempts to prove the conjectures with standard expert iteration. We evaluate STP with both Lean and Isabelle formal versifiers. With 19.8 billion tokens generated during the training in Lean, STP proves 26.3% of the statements in the LeanWorkbook dataset, doubling the previous best result of 13.2% achieved through expert iteration. The final model achieves state-of-the-art performance among whole-proof generation methods on miniF2F-test (61.7%, pass@3200), Proofnet-test (23.1%, pass@3200) and PutnamBench (8/644, pass@3200).

In this paper, we present a novel framework for the analysis of Riemann Hypothesis [27], which is composed of three key components: a) probabilistic modeling with cross entropy optimization and reasoning; b) the application of the law of large numbers; c) the application of mathematical inductions. The analysis is mainly conducted by virtue of probabilistic modeling of cross entropy optimization and reasoning with rare event simulation techniques. The application of the law of large numbers [2, 3, 6] and the application of mathematical inductions make the analysis of Riemann Hypothesis self-contained and complete to make sure that the whole complex plane is covered as conjectured in Riemann Hypothesis. We also discuss the method of enhanced top-p sampling with large language models (LLMs) for reasoning, where next token prediction is not just based on the estimated probabilities of each possible token in the current round but also based on accumulated path probabilities among multiple top-k chain of thoughts (CoTs) paths. The probabilistic modeling of cross entropy optimization and reasoning may suit well with the analysis of Riemann Hypothesis as Riemann Zeta functions are inherently dealing with the sums of infinite components of a complex number series. We hope that our analysis in this paper could shed some light on some of the insights of Riemann Hypothesis. The framework and techniques presented in this paper, coupled with recent developments with chain of thought (CoT) or diagram of thought (DoT) reasoning in large language models (LLMs) with reinforcement learning (RL) [1, 7, 18, 21, 24, 34, 39-41], could pave the way for eventual proof of Riemann Hypothesis [27].

Mathematical reasoning has long represented one of the most fundamental and challenging frontiers in artificial intelligence research. In recent years, large language models (LLMs) have achieved significant advances in this area. This survey examines the development of mathematical reasoning abilities in LLMs through two high-level cognitive phases: comprehension, where models gain mathematical understanding via diverse pretraining strategies, and answer generation, which has progressed from direct prediction to step-by-step Chain-of-Thought (CoT) reasoning. We review methods for enhancing mathematical reasoning, ranging from training-free prompting to fine-tuning approaches such as supervised fine-tuning and reinforcement learning, and discuss recent work on extended CoT and "test-time scaling". Despite notable progress, fundamental challenges remain in terms of capacity, efficiency, and generalization. To address these issues, we highlight promising research directions, including advanced pretraining and knowledge augmentation techniques, formal reasoning frameworks, and meta-generalization through principled learning paradigms. This survey tries to provide some insights for researchers interested in enhancing reasoning capabilities of LLMs and for those seeking to apply these techniques to other domains.

Recent AI advancements, such as OpenAI's new models, are transforming LLMs into LRMs (Large Reasoning Models) that perform reasoning during inference, taking extra time and compute for higher-quality outputs. We aim to uncover the algorithmic framework for training LRMs. Methods like self-consistency, PRM, and AlphaZero suggest reasoning as guided search. We ask: what is the simplest, most scalable way to enable search in LLMs? We propose a post-training framework called Reinforcement Learning via Self-Play (RLSP). RLSP involves three steps: (1) supervised fine-tuning with human or synthetic demonstrations of the reasoning process, (2) using an exploration reward signal to encourage diverse and efficient reasoning behaviors, and (3) RL training with an outcome verifier to ensure correctness while preventing reward hacking. Our key innovation is to decouple exploration and correctness signals during PPO training, carefully balancing them to improve performance and efficiency. Empirical studies in the math domain show that RLSP improves reasoning. On the Llama-3.1-8B-Instruct model, RLSP can boost performance by 23% in MATH-500 test set; On AIME 2024 math problems, Qwen2.5-32B-Instruct improved by 10% due to RLSP. However, a more important finding of this work is that the models trained using RLSP, even with the simplest exploration reward that encourages the model to take more intermediate steps, showed several emergent behaviors such as backtracking, exploration of ideas, and verification. These findings demonstrate that RLSP framework might be enough to enable emergence of complex reasoning abilities in LLMs when scaled. Lastly, we propose a theory as to why RLSP search strategy is more suitable for LLMs inspired by a remarkable result that says CoT provably increases computational power of LLMs, which grows as the number of steps in CoT li2024chain,merrill2023expresssive.

Math word problems (MWPs) are critical K-12 educational tools, and customizing them to students' interests and ability levels can increase learning outcomes. However, teachers struggle to find time to customize MWPs for each student given large class sizes and increasing burnout. We propose that LLMs can support math education by generating MWPs customized to student interests and math education standards. To this end, we use a joint human expert-LLM judge approach to evaluate over 11,000 MWPs generated by open and closed LLMs and develop the first teacher-annotated dataset for standards-aligned educational MWP generation. We show the value of our data by using it to train a 12B open model that matches the performance of larger and more capable open models. We also use our teacher-annotated data to train a text classifier that enables a 30B open LLM to outperform existing closed baselines without any training. Next, we show our models' MWPs are more similar to human-written MWPs than those from existing models. We conclude by conducting the first study of customized LLM-generated MWPs with grade school students, finding they perform similarly on our models' MWPs relative to human-written MWPs but consistently prefer our customized MWPs.

Mathematical reasoning is a cornerstone of human intelligence and a key benchmark for advanced capabilities in large language models (LLMs). However, the research community still lacks an open, large-scale, high-quality corpus tailored to the demands of math-centric LLM pre-training. We present MegaMath, an open dataset curated from diverse, math-focused sources through following practices: (1) Revisiting web data: We re-extracted mathematical documents from Common Crawl with math-oriented HTML optimizations, fasttext-based filtering and deduplication, all for acquiring higher-quality data on the Internet. (2) Recalling Math-related code data: We identified high quality math-related code from large code training corpus, Stack-V2, further enhancing data diversity. (3) Exploring Synthetic data: We synthesized QA-style text, math-related code, and interleaved text-code blocks from web data or code data. By integrating these strategies and validating their effectiveness through extensive ablations, MegaMath delivers 371B tokens with the largest quantity and top quality among existing open math pre-training datasets.

The powerful reasoning capabilities of Large Language Models (LLMs) in mathematics and coding, combined with their ability to automate complex tasks through agentic frameworks, present unprecedented opportunities for accelerating scientific innovation. In this paper, we introduce AI-Researcher, a fully autonomous research system that transforms how AI-driven scientific discovery is conducted and evaluated. Our framework seamlessly orchestrates the complete research pipeline--from literature review and hypothesis generation to algorithm implementation and publication-ready manuscript preparation--with minimal human intervention. To rigorously assess autonomous research capabilities, we develop Scientist-Bench, a comprehensive benchmark comprising state-of-the-art papers across diverse AI research domains, featuring both guided innovation and open-ended exploration tasks. Through extensive experiments, we demonstrate that AI-Researcher achieves remarkable implementation success rates and produces research papers that approach human-level quality. This work establishes new foundations for autonomous scientific innovation that can complement human researchers by systematically exploring solution spaces beyond cognitive limitations.

The recent LLMs like GPT-4 and PaLM-2 have made tremendous progress in solving fundamental math problems like GSM8K by achieving over 90\% accuracy. However, their capabilities to solve more challenging math problems which require domain-specific knowledge (i.e. theorem) have yet to be investigated. In this paper, we introduce TheoremQA, the first theorem-driven question-answering dataset designed to evaluate AI models' capabilities to apply theorems to solve challenging science problems. \dataset is curated by domain experts containing 800 high-quality questions covering 350 theoremse.g. Taylor's theorem, Lagrange's theorem, Huffman coding, Quantum Theorem, Elasticity Theorem, etc from Math, Physics, EE\&CS, and Finance. We evaluate a wide spectrum of 16 large language and code models with different prompting strategies like Chain-of-Thoughts and Program-of-Thoughts. We found that GPT-4's capabilities to solve these problems are unparalleled, achieving an accuracy of 51\% with Program-of-Thoughts Prompting. All the existing open-sourced models are below 15\%, barely surpassing the random-guess baseline. Given the diversity and broad coverage of \dataset, we believe it can be used as a better benchmark to evaluate LLMs' capabilities to solve challenging science problems. The data and code are released in https://github.com/wenhuchen/TheoremQA.

Theorem proving serves as a major testbed for evaluating complex reasoning abilities in large language models (LLMs). However, traditional automated theorem proving (ATP) approaches rely heavily on formal proof systems that poorly align with LLMs' strength derived from informal, natural language knowledge acquired during pre-training. In this work, we propose DeepTheorem, a comprehensive informal theorem-proving framework exploiting natural language to enhance LLM mathematical reasoning. DeepTheorem includes a large-scale benchmark dataset consisting of 121K high-quality IMO-level informal theorems and proofs spanning diverse mathematical domains, rigorously annotated for correctness, difficulty, and topic categories, accompanied by systematically constructed verifiable theorem variants. We devise a novel reinforcement learning strategy (RL-Zero) explicitly tailored to informal theorem proving, leveraging the verified theorem variants to incentivize robust mathematical inference. Additionally, we propose comprehensive outcome and process evaluation metrics examining proof correctness and the quality of reasoning steps. Extensive experimental analyses demonstrate DeepTheorem significantly improves LLM theorem-proving performance compared to existing datasets and supervised fine-tuning protocols, achieving state-of-the-art accuracy and reasoning quality. Our findings highlight DeepTheorem's potential to fundamentally advance automated informal theorem proving and mathematical exploration.

Large Reasoning Models (LRMs) have shown impressive capabilities in complex problem-solving, often benefiting from training on difficult mathematical problems that stimulate intricate reasoning. Recent efforts have explored automated synthesis of mathematical problems by prompting proprietary models or large-scale open-source models from seed data or inherent mathematical concepts. However, scaling up these methods remains challenging due to their high computational/API cost, complexity of prompting, and limited difficulty level of the generated problems. To overcome these limitations, we propose ScaleDiff, a simple yet effective pipeline designed to scale the creation of difficult problems. We efficiently identify difficult problems from existing datasets with only a single forward pass using an adaptive thinking model, which can perceive problem difficulty and automatically switch between "Thinking" and "NoThinking" modes. We then train a specialized difficult problem generator (DiffGen-8B) on this filtered difficult data, which can produce new difficult problems in large scale, eliminating the need for complex, per-instance prompting and its associated high API costs. Fine-tuning Qwen2.5-Math-7B-Instruct on the ScaleDiff-Math dataset yields a substantial performance increase of 11.3% compared to the original dataset and achieves a 65.9% average accuracy on AIME'24, AIME'25, HMMT-Feb'25, BRUMO'25, and MATH500, outperforming recent strong LRMs like OpenThinker3. Notably, this performance is achieved using the cost-efficient Qwen3-8B model as a teacher, demonstrating that our pipeline can effectively transfer advanced reasoning capabilities without relying on larger, more expensive teacher models. Furthermore, we observe a clear scaling phenomenon in model performance on difficult benchmarks as the quantity of difficult problems increases. Code: https://github.com/QizhiPei/ScaleDiff.

Scientific discovery relies on scientists generating novel hypotheses that undergo rigorous experimental validation. To augment this process, we introduce an AI co-scientist, a multi-agent system built on Gemini 2.0. The AI co-scientist is intended to help uncover new, original knowledge and to formulate demonstrably novel research hypotheses and proposals, building upon prior evidence and aligned to scientist-provided research objectives and guidance. The system's design incorporates a generate, debate, and evolve approach to hypothesis generation, inspired by the scientific method and accelerated by scaling test-time compute. Key contributions include: (1) a multi-agent architecture with an asynchronous task execution framework for flexible compute scaling; (2) a tournament evolution process for self-improving hypotheses generation. Automated evaluations show continued benefits of test-time compute, improving hypothesis quality. While general purpose, we focus development and validation in three biomedical areas: drug repurposing, novel target discovery, and explaining mechanisms of bacterial evolution and anti-microbial resistance. For drug repurposing, the system proposes candidates with promising validation findings, including candidates for acute myeloid leukemia that show tumor inhibition in vitro at clinically applicable concentrations. For novel target discovery, the AI co-scientist proposed new epigenetic targets for liver fibrosis, validated by anti-fibrotic activity and liver cell regeneration in human hepatic organoids. Finally, the AI co-scientist recapitulated unpublished experimental results via a parallel in silico discovery of a novel gene transfer mechanism in bacterial evolution. These results, detailed in separate, co-timed reports, demonstrate the potential to augment biomedical and scientific discovery and usher an era of AI empowered scientists.

Formal proofs are challenging to write even for experienced experts. Recent progress in Neural Theorem Proving (NTP) shows promise in expediting this process. However, the formal corpora available on the Internet are limited compared to the general text, posing a significant data scarcity challenge for NTP. To address this issue, this work proposes Alchemy, a general framework for data synthesis that constructs formal theorems through symbolic mutation. Specifically, for each candidate theorem in Mathlib, we identify all invocable theorems that can be used to rewrite or apply to it. Subsequently, we mutate the candidate theorem by replacing the corresponding term in the statement with its equivalent form or antecedent. As a result, our method increases the number of theorems in Mathlib by an order of magnitude, from 110k to 6M. Furthermore, we perform continual pretraining and supervised finetuning on this augmented corpus for large language models. Experimental results demonstrate the effectiveness of our approach, achieving a 5% absolute performance improvement on Leandojo benchmark. Additionally, our synthetic data achieve a 2.5% absolute performance gain on the out-of-distribution miniF2F benchmark. To provide further insights, we conduct a comprehensive analysis of synthetic data composition and the training paradigm, offering valuable guidance for developing a strong theorem prover.

In this paper, we investigate the underlying factors that potentially enhance the mathematical reasoning capabilities of large language models (LLMs). We argue that the data scaling law for math reasoning capabilities in modern LLMs is far from being saturated, highlighting how the model's quality improves with increases in data quantity. To support this claim, we introduce the Skywork-Math model series, supervised fine-tuned (SFT) on common 7B LLMs using our proposed 2.5M-instance Skywork-MathQA dataset. Skywork-Math 7B has achieved impressive accuracies of 51.2% on the competition-level MATH benchmark and 83.9% on the GSM8K benchmark using only SFT data, outperforming an early version of GPT-4 on MATH. The superior performance of Skywork-Math models contributes to our novel two-stage data synthesis and model SFT pipelines, which include three different augmentation methods and a diverse seed problem set, ensuring both the quantity and quality of Skywork-MathQA dataset across varying difficulty levels. Most importantly, we provide several practical takeaways to enhance math reasoning abilities in LLMs for both research and industry applications.

Despite their spectacular progress, language models still struggle on complex reasoning tasks, such as advanced mathematics. We consider a long-standing open problem in mathematics: discovering a Lyapunov function that ensures the global stability of a dynamical system. This problem has no known general solution, and algorithmic solvers only exist for some small polynomial systems. We propose a new method for generating synthetic training samples from random solutions, and show that sequence-to-sequence transformers trained on such datasets perform better than algorithmic solvers and humans on polynomial systems, and can discover new Lyapunov functions for non-polynomial systems.

Recent advances in language models have demonstrated their capability to solve mathematical reasoning problems, achieving near-perfect accuracy on grade-school level math benchmarks like GSM8K. In this paper, we formally study how language models solve these problems. We design a series of controlled experiments to address several fundamental questions: (1) Can language models truly develop reasoning skills, or do they simply memorize templates? (2) What is the model's hidden (mental) reasoning process? (3) Do models solve math questions using skills similar to or different from humans? (4) Do models trained on GSM8K-like datasets develop reasoning skills beyond those necessary for solving GSM8K problems? (5) What mental process causes models to make reasoning mistakes? (6) How large or deep must a model be to effectively solve GSM8K-level math questions? Our study uncovers many hidden mechanisms by which language models solve mathematical questions, providing insights that extend beyond current understandings of LLMs.

Mathematical formulas are a fundamental and widely used component in various scientific fields, serving as a universal language for expressing complex concepts and relationships. While state-of-the-art transformer models excel in processing and understanding natural language, they encounter challenges with mathematical notation, which involves a complex structure and diverse representations. This study focuses on the development of specialized training datasets to enhance the encoding of mathematical content. We introduce Math Mutator (MAMUT), a framework capable of generating equivalent and falsified versions of a given mathematical formula in LaTeX notation, effectively capturing the mathematical variety in notation of the same concept. Based on MAMUT, we have generated four large mathematical datasets containing diverse notation, which can be used to train language models with enhanced mathematical embeddings.

Literature-Based Discovery (LBD) aims to discover new scientific knowledge by mining papers and generating hypotheses. Standard LBD is limited to predicting pairwise relations between discrete concepts (e.g., drug-disease links), and ignores critical contexts like experimental settings (e.g., a specific patient population where a drug is evaluated) and background motivations (e.g., to find drugs without specific side effects). We address these limitations with a novel formulation of contextualized-LBD (C-LBD): generating scientific hypotheses in natural language, while grounding them in a context that controls the hypothesis search space. We present a modeling framework using retrieval of ``inspirations'' from past scientific papers. Our evaluations reveal that GPT-4 tends to generate ideas with overall low technical depth and novelty, while our inspiration prompting approaches partially mitigate this issue. Our work represents a first step toward building language models that generate new ideas derived from scientific literature.

Large Language Models (LLMs) have demonstrated exceptional capabilities in various natural language tasks, often achieving performances that surpass those of humans. Despite these advancements, the domain of mathematics presents a distinctive challenge, primarily due to its specialized structure and the precision it demands. In this study, we adopted a two-step approach for investigating the proficiency of LLMs in answering mathematical questions. First, we employ the most effective LLMs, as identified by their performance on math question-answer benchmarks, to generate answers to 78 questions from the Math Stack Exchange (MSE). Second, a case analysis is conducted on the LLM that showed the highest performance, focusing on the quality and accuracy of its answers through manual evaluation. We found that GPT-4 performs best (nDCG of 0.48 and P@10 of 0.37) amongst existing LLMs fine-tuned for answering mathematics questions and outperforms the current best approach on ArqMATH3 Task1, considering P@10. Our Case analysis indicates that while the GPT-4 can generate relevant responses in certain instances, it does not consistently answer all questions accurately. This paper explores the current limitations of LLMs in navigating complex mathematical problem-solving. Through case analysis, we shed light on the gaps in LLM capabilities within mathematics, thereby setting the stage for future research and advancements in AI-driven mathematical reasoning. We make our code and findings publicly available for research: https://github.com/gipplab/LLM-Investig-MathStackExchange

We introduce SELF-DISCOVER, a general framework for LLMs to self-discover the task-intrinsic reasoning structures to tackle complex reasoning problems that are challenging for typical prompting methods. Core to the framework is a self-discovery process where LLMs select multiple atomic reasoning modules such as critical thinking and step-by-step thinking, and compose them into an explicit reasoning structure for LLMs to follow during decoding. SELF-DISCOVER substantially improves GPT-4 and PaLM 2's performance on challenging reasoning benchmarks such as BigBench-Hard, grounded agent reasoning, and MATH, by as much as 32% compared to Chain of Thought (CoT). Furthermore, SELF-DISCOVER outperforms inference-intensive methods such as CoT-Self-Consistency by more than 20%, while requiring 10-40x fewer inference compute. Finally, we show that the self-discovered reasoning structures are universally applicable across model families: from PaLM 2-L to GPT-4, and from GPT-4 to Llama2, and share commonalities with human reasoning patterns.

This paper presents our winning submission to the AI Mathematical Olympiad - Progress Prize 2 (AIMO-2) competition. Our recipe for building state-of-the-art mathematical reasoning models relies on three key pillars. First, we create a large-scale dataset comprising 540K unique high-quality math problems, including olympiad-level problems, and their 3.2M long-reasoning solutions. Second, we develop a novel method to integrate code execution with long reasoning models through iterative training, generation, and quality filtering, resulting in 1.7M high-quality Tool-Integrated Reasoning solutions. Third, we create a pipeline to train models to select the most promising solution from many candidates. We show that such generative solution selection (GenSelect) can significantly improve upon majority voting baseline. Combining these ideas, we train a series of models that achieve state-of-the-art results on mathematical reasoning benchmarks. To facilitate further research, we release our code, models, and the complete OpenMathReasoning dataset under a commercially permissive license.

We identify five selected open problems in the theory of quantum information, which are rather simple to formulate, were well-studied in the literature, but are technically not easy. As these problems enjoy diverse mathematical connections, they offer a huge breakthrough potential. The first four concern existence of certain objects relevant for quantum information, namely a family of symmetric informationally complete generalized measurements in an infinite sequence of dimensions, mutually unbiased bases in dimension six, absolutely maximally entangled states for four subsystems with six levels each and bound entangled states with negative partial transpose. The fifth problem requires checking whether a certain state of a two-ququart system is 2-copy distillable. An award for solving each of them is announced.

Our work presents a novel angle for evaluating language models' (LMs) mathematical abilities, by investigating whether they can discern skills and concepts enabled by math content. We contribute two datasets: one consisting of 385 fine-grained descriptions of K-12 math skills and concepts, or standards, from Achieve the Core (ATC), and another of 9.9K problems labeled with these standards (MathFish). Working with experienced teachers, we find that LMs struggle to tag and verify standards linked to problems, and instead predict labels that are close to ground truth, but differ in subtle ways. We also show that LMs often generate problems that do not fully align with standards described in prompts. Finally, we categorize problems in GSM8k using math standards, allowing us to better understand why some problems are more difficult to solve for models than others.

The rapid development of large language models (LLMs) has spurred extensive research into their domain-specific capabilities, particularly mathematical reasoning. However, most open-source LLMs focus solely on mathematical reasoning, neglecting the integration with visual injection, despite the fact that many mathematical tasks rely on visual inputs such as geometric diagrams, charts, and function plots. To fill this gap, we introduce MultiMath-7B, a multimodal large language model that bridges the gap between math and vision. MultiMath-7B is trained through a four-stage process, focusing on vision-language alignment, visual and math instruction-tuning, and process-supervised reinforcement learning. We also construct a novel, diverse and comprehensive multimodal mathematical dataset, MultiMath-300K, which spans K-12 levels with image captions and step-wise solutions. MultiMath-7B achieves state-of-the-art (SOTA) performance among open-source models on existing multimodal mathematical benchmarks and also excels on text-only mathematical benchmarks. Our model and dataset are available at {blue{https://github.com/pengshuai-rin/MultiMath}}.

Large language models (LLMs) have demonstrated significant capabilities in mathematical reasoning, particularly with text-based mathematical problems. However, current multi-modal large language models (MLLMs), especially those specialized in mathematics, tend to focus predominantly on solving geometric problems but ignore the diversity of visual information available in other areas of mathematics. Moreover, the geometric information for these specialized mathematical MLLMs is derived from several public datasets, which are typically limited in diversity and complexity. To address these limitations, we aim to construct a fine-tuning dataset named MathVL, and develop a series of specialized mathematical MLLMs termed MathGLM-Vision by conducting Supervised Fine-Tuning (SFT) on MathVL with various parameter-scale backbones. To extensively evaluate the effectiveness of MathGLM-Vision, we conduct experiments on several public benchmarks and our curated MathVL-test consisting of 2,000 problems. Experimental results demonstrate that MathGLM-Vision achieves significant improvements compared with some existing models, including backbone models and open-source mathematical MLLMs. These findings indicate the importance of diversity dataset in enhancing the mathematical reasoning abilities of MLLMs.

Large Language Models (LLMs) have been successful in mathematical reasoning tasks such as formal theorem proving when integrated with interactive proof assistants like Lean. Existing approaches involve training or fine-tuning an LLM on a specific dataset to perform well on particular domains, such as undergraduate-level mathematics. These methods struggle with generalizability to advanced mathematics. A fundamental limitation is that these approaches operate on static domains, failing to capture how mathematicians often work across multiple domains and projects simultaneously or cyclically. We present LeanAgent, a novel lifelong learning framework for theorem proving that continuously generalizes to and improves on ever-expanding mathematical knowledge without forgetting previously learned knowledge. LeanAgent introduces several key innovations, including a curriculum learning strategy that optimizes the learning trajectory in terms of mathematical difficulty, a dynamic database for efficient management of evolving mathematical knowledge, and progressive training to balance stability and plasticity. LeanAgent successfully proves 162 theorems previously unproved by humans across 23 diverse Lean repositories, many from advanced mathematics. It performs up to 11times better than the static LLM baseline, proving challenging theorems in domains like abstract algebra and algebraic topology while showcasing a clear progression of learning from basic concepts to advanced topics. In addition, we analyze LeanAgent's superior performance on key lifelong learning metrics. LeanAgent achieves exceptional scores in stability and backward transfer, where learning new tasks improves performance on previously learned tasks. This emphasizes LeanAgent's continuous generalizability and improvement, explaining its superior theorem proving performance.

This study focuses on improving the performance of lightweight Large Language Models (LLMs) in mathematical reasoning tasks. We introduce a novel method for measuring mathematical logic similarity and design an automatic screening mechanism to construct a set of reference problems that integrate both semantic and logical similarity. By employing carefully crafted positive and negative example prompts, we guide the model towards adopting sound reasoning logic. To the best of our knowledge, this is the first attempt to utilize retrieval-enhanced generation for mathematical problem-solving. Experimental results demonstrate that our method achieves a 15.8% improvement over the Chain of Thought approach on the SVAMP dataset and a 21.5 % improvement on the GSM8K dataset. Further application of this method to a large-scale model with 175 billion parameters yields performance comparable to the best results on both aforementioned datasets. Finally, we conduct an analysis of errors during the reasoning process, providing valuable insights and directions for future research on reasoning tasks using large language models.

Symbolic regression (SR) aims to discover closed-form mathematical expressions that accurately describe data, offering interpretability and analytical insight beyond standard black-box models. Existing SR methods often rely on population-based search or autoregressive modeling, which struggle with scalability and symbolic consistency. We introduce LIES (Logarithm, Identity, Exponential, Sine), a fixed neural network architecture with interpretable primitive activations that are optimized to model symbolic expressions. We develop a framework to extract compact formulae from LIES networks by training with an appropriate oversampling strategy and a tailored loss function to promote sparsity and to prevent gradient instability. After training, it applies additional pruning strategies to further simplify the learned expressions into compact formulae. Our experiments on SR benchmarks show that the LIES framework consistently produces sparse and accurate symbolic formulae outperforming all baselines. We also demonstrate the importance of each design component through ablation studies.

Geometry problem solving (GPS) represents a critical frontier in artificial intelligence, with profound applications in education, computer-aided design, and computational graphics. Despite its significance, automating GPS remains challenging due to the dual demands of spatial understanding and rigorous logical reasoning. Recent advances in large models have enabled notable breakthroughs, particularly for SAT-level problems, yet the field remains fragmented across methodologies, benchmarks, and evaluation frameworks. This survey systematically synthesizes GPS advancements through three core dimensions: (1) benchmark construction, (2) textual and diagrammatic parsing, and (3) reasoning paradigms. We further propose a unified analytical paradigm, assess current limitations, and identify emerging opportunities to guide future research toward human-level geometric reasoning, including automated benchmark generation and interpretable neuro-symbolic integration.

Code has been shown to be effective in enhancing the mathematical reasoning abilities of large language models due to its precision and accuracy. Previous works involving continued mathematical pretraining often include code that utilizes math-related packages, which are primarily designed for fields such as engineering, machine learning, signal processing, or module testing, rather than being directly focused on mathematical reasoning. In this paper, we introduce a novel method for generating mathematical code accompanied with corresponding reasoning steps for continued pretraining. Our approach begins with the construction of a high-quality mathematical continued pretraining dataset by incorporating math-related web data, code using mathematical packages, math textbooks, and synthetic data. Next, we construct reasoning steps by extracting LaTeX expressions, the conditions needed for the expressions, and the results of the expressions from the previously collected dataset. Based on this extracted information, we generate corresponding code to accurately capture the mathematical reasoning process. Appending the generated code to each reasoning step results in data consisting of paired natural language reasoning steps and their corresponding code. Combining this data with the original dataset results in a 19.2B-token high-performing mathematical pretraining corpus, which we name MathCode-Pile. Training several popular base models with this corpus significantly improves their mathematical abilities, leading to the creation of the MathCoder2 family of models. All of our data processing and training code is open-sourced, ensuring full transparency and easy reproducibility of the entire data collection and training pipeline. The code is released at https://github.com/mathllm/MathCoder2 .

We introduce ShinkaEvolve: a new open-source framework leveraging large language models (LLMs) to advance scientific discovery with state-of-the-art performance and unprecedented efficiency. Recent advances in scaling inference time compute of LLMs have enabled significant progress in generalized scientific discovery. These approaches rely on evolutionary agentic harnesses that leverage LLMs as mutation operators to generate candidate solutions. However, current code evolution methods suffer from critical limitations: they are sample inefficient, requiring thousands of samples to identify effective solutions, and remain closed-source, hindering broad adoption and extension. ShinkaEvolve addresses these limitations, introducing three key innovations: a parent sampling technique balancing exploration and exploitation, code novelty rejection-sampling for efficient search space exploration, and a bandit-based LLM ensemble selection strategy. We evaluate ShinkaEvolve across diverse tasks, demonstrating consistent improvements in sample efficiency and solution quality. ShinkaEvolve discovers a new state-of-the-art circle packing solution using only 150 samples, designs high-performing agentic harnesses for AIME mathematical reasoning tasks, identifies improvements to ALE-Bench competitive programming solutions, and discovers novel mixture-of-expert load balancing loss functions that illuminate the space of optimization strategies. Our results demonstrate that ShinkaEvolve achieves broad applicability with exceptional sample efficiency. By providing open-source accessibility and cost-efficiency, this work democratizes open-ended discovery across diverse computational problems.

This work introduces systematic approach for enhancing large language models (LLMs) to address Bangla AI mathematical challenges. Through the assessment of diverse LLM configurations, fine-tuning with specific datasets, and the implementation of Retrieval-Augmented Generation (RAG), we enhanced the model's reasoning precision in a multilingual setting. Crucial discoveries indicate that customized prompting, dataset augmentation, and iterative reasoning improve the model's efficiency regarding Olympiad-level mathematical challenges.

The cycle of scientific discovery is frequently bottlenecked by the slow, manual creation of software to support computational experiments. To address this, we present an AI system that creates expert-level scientific software whose goal is to maximize a quality metric. The system uses a Large Language Model (LLM) and Tree Search (TS) to systematically improve the quality metric and intelligently navigate the large space of possible solutions. The system achieves expert-level results when it explores and integrates complex research ideas from external sources. The effectiveness of tree search is demonstrated across a wide range of benchmarks. In bioinformatics, it discovered 40 novel methods for single-cell data analysis that outperformed the top human-developed methods on a public leaderboard. In epidemiology, it generated 14 models that outperformed the CDC ensemble and all other individual models for forecasting COVID-19 hospitalizations. Our method also produced state-of-the-art software for geospatial analysis, neural activity prediction in zebrafish, time series forecasting and numerical solution of integrals. By devising and implementing novel solutions to diverse tasks, the system represents a significant step towards accelerating scientific progress.

The art of mathematical reasoning stands as a fundamental pillar of intellectual progress and is a central catalyst in cultivating human ingenuity. Researchers have recently published a plethora of works centered around the task of solving Math Word Problems (MWP) - a crucial stride towards general AI. These existing models are susceptible to dependency on shallow heuristics and spurious correlations to derive the solution expressions. In order to ameliorate this issue, in this paper, we propose a framework for MWP solvers based on the generation of linguistic variants of the problem text. The approach involves solving each of the variant problems and electing the predicted expression with the majority of the votes. We use DeBERTa (Decoding-enhanced BERT with disentangled attention) as the encoder to leverage its rich textual representations and enhanced mask decoder to construct the solution expressions. Furthermore, we introduce a challenging dataset, Psmall{ARAMAWPS}, consisting of paraphrased, adversarial, and inverse variants of selectively sampled MWPs from the benchmark Msmall{AWPS} dataset. We extensively experiment on this dataset along with other benchmark datasets using some baseline MWP solver models. We show that training on linguistic variants of problem statements and voting on candidate predictions improve the mathematical reasoning and robustness of the model. We make our code and data publicly available.

Generalized Category Discovery (GCD) is an intriguing open-world problem that has garnered increasing attention. Given a dataset that includes both labelled and unlabelled images, GCD aims to categorize all images in the unlabelled subset, regardless of whether they belong to known or unknown classes. In GCD, the common practice typically involves applying a spherical projection operator at the end of the self-supervised pretrained backbone, operating within Euclidean or spherical space. However, both of these spaces have been shown to be suboptimal for encoding samples that possesses hierarchical structures. In contrast, hyperbolic space exhibits exponential volume growth relative to radius, making it inherently strong at capturing the hierarchical structure of samples from both seen and unseen categories. Therefore, we propose to tackle the category discovery challenge in the hyperbolic space. We introduce HypCD, a simple Hyperbolic framework for learning hierarchy-aware representations and classifiers for generalized Category Discovery. HypCD first transforms the Euclidean embedding space of the backbone network into hyperbolic space, facilitating subsequent representation and classification learning by considering both hyperbolic distance and the angle between samples. This approach is particularly helpful for knowledge transfer from known to unknown categories in GCD. We thoroughly evaluate HypCD on public GCD benchmarks, by applying it to various baseline and state-of-the-art methods, consistently achieving significant improvements.

The current evaluation of mathematical skills in LLMs is limited, as existing benchmarks are either relatively small, primarily focus on elementary and high-school problems, or lack diversity in topics. Additionally, the inclusion of visual elements in tasks remains largely under-explored. To address these gaps, we introduce U-MATH, a novel benchmark of 1,100 unpublished open-ended university-level problems sourced from teaching materials. It is balanced across six core subjects, with 20% of multimodal problems. Given the open-ended nature of U-MATH problems, we employ an LLM to judge the correctness of generated solutions. To this end, we release mu-MATH, a dataset to evaluate the LLMs' capabilities in judging solutions. The evaluation of general domain, math-specific, and multimodal LLMs highlights the challenges presented by U-MATH. Our findings reveal that LLMs achieve a maximum accuracy of only 63% on text-based tasks, with even lower 45% on visual problems. The solution assessment proves challenging for LLMs, with the best LLM judge having an F1-score of 80% on mu-MATH.

Recent large language models (LLMs) have shown indications of mathematical reasoning ability. However it has not been clear how they would fare on more challenging competition-level problems. And while self-generated verbalizations of intermediate reasoning steps (i.e., chain-of-thought prompting) have been shown to be helpful, whether LLMs can make use of helpful side information such as problem-specific hints has not been investigated before. In this paper, we propose a challenging benchmark dataset for enabling such analyses. The Concept and Hint-Annotated Math Problems (CHAMP) consists of high school math competition problems, annotated with concepts, or general math facts, and hints, or problem-specific tricks. These annotations allow us to explore the effects of additional information, such as relevant hints, misleading concepts, or related problems. This benchmark is difficult, with the best model only scoring 58.1% in standard settings. With concepts and hints, performance sometimes improves, indicating that some models can make use of such side information. We further annotate model-generated solutions for their correctness. Using this corpus, we find that models often arrive at the correct final answer through wrong reasoning steps. In addition, we test whether models are able to verify these solutions, and find that most models struggle. The dataset and code are available on the project website.

While AI systems demonstrate exponentially improving capabilities, the pace of AI research itself remains linearly bounded by human cognitive capacity, creating an increasingly severe development bottleneck. We present ASI-Arch, the first demonstration of Artificial Superintelligence for AI research (ASI4AI) in the critical domain of neural architecture discovery--a fully autonomous system that shatters this fundamental constraint by enabling AI to conduct its own architectural innovation. Moving beyond traditional Neural Architecture Search (NAS), which is fundamentally limited to exploring human-defined spaces, we introduce a paradigm shift from automated optimization to automated innovation. ASI-Arch can conduct end-to-end scientific research in the domain of architecture discovery, autonomously hypothesizing novel architectural concepts, implementing them as executable code, training and empirically validating their performance through rigorous experimentation and past experience. ASI-Arch conducted 1,773 autonomous experiments over 20,000 GPU hours, culminating in the discovery of 106 innovative, state-of-the-art (SOTA) linear attention architectures. Like AlphaGo's Move 37 that revealed unexpected strategic insights invisible to human players, our AI-discovered architectures demonstrate emergent design principles that systematically surpass human-designed baselines and illuminate previously unknown pathways for architectural innovation. Crucially, we establish the first empirical scaling law for scientific discovery itself--demonstrating that architectural breakthroughs can be scaled computationally, transforming research progress from a human-limited to a computation-scalable process. We provide comprehensive analysis of the emergent design patterns and autonomous research capabilities that enabled these breakthroughs, establishing a blueprint for self-accelerating AI systems.

Automated discovery of physical laws from observational data in the real world is a grand challenge in AI. Current methods, relying on symbolic regression or LLMs, are limited to uni-modal data and overlook the rich, visual phenomenological representations of motion that are indispensable to physicists. This "sensory deprivation" severely weakens their ability to interpret the inherent spatio-temporal patterns within dynamic phenomena. To address this gap, we propose VIPER-R1, a multimodal model that performs Visual Induction for Physics-based Equation Reasoning to discover fundamental symbolic formulas. It integrates visual perception, trajectory data, and symbolic reasoning to emulate the scientific discovery process. The model is trained via a curriculum of Motion Structure Induction (MSI), using supervised fine-tuning to interpret kinematic phase portraits and to construct hypotheses guided by a Causal Chain of Thought (C-CoT), followed by Reward-Guided Symbolic Calibration (RGSC) to refine the formula structure with reinforcement learning. During inference, the trained VIPER-R1 acts as an agent: it first posits a high-confidence symbolic ansatz, then proactively invokes an external symbolic regression tool to perform Symbolic Residual Realignment (SR^2). This final step, analogous to a physicist's perturbation analysis, reconciles the theoretical model with empirical data. To support this research, we introduce PhysSymbol, a new 5,000-instance multimodal corpus. Experiments show that VIPER-R1 consistently outperforms state-of-the-art VLM baselines in accuracy and interpretability, enabling more precise discovery of physical laws. Project page: https://jiaaqiliu.github.io/VIPER-R1/

While the history of machine learning so far largely encompasses a series of problems posed by researchers and algorithms that learn their solutions, an important question is whether the problems themselves can be generated by the algorithm at the same time as they are being solved. Such a process would in effect build its own diverse and expanding curricula, and the solutions to problems at various stages would become stepping stones towards solving even more challenging problems later in the process. The Paired Open-Ended Trailblazer (POET) algorithm introduced in this paper does just that: it pairs the generation of environmental challenges and the optimization of agents to solve those challenges. It simultaneously explores many different paths through the space of possible problems and solutions and, critically, allows these stepping-stone solutions to transfer between problems if better, catalyzing innovation. The term open-ended signifies the intriguing potential for algorithms like POET to continue to create novel and increasingly complex capabilities without bound. Our results show that POET produces a diverse range of sophisticated behaviors that solve a wide range of environmental challenges, many of which cannot be solved by direct optimization alone, or even through a direct-path curriculum-building control algorithm introduced to highlight the critical role of open-endedness in solving ambitious challenges. The ability to transfer solutions from one environment to another proves essential to unlocking the full potential of the system as a whole, demonstrating the unpredictable nature of fortuitous stepping stones. We hope that POET will inspire a new push towards open-ended discovery across many domains, where algorithms like POET can blaze a trail through their interesting possible manifestations and solutions.

The math abilities of large language models can represent their abstract reasoning ability. In this paper, we introduce and open-source our math reasoning LLMs InternLM-Math which is continue pre-trained from InternLM2. We unify chain-of-thought reasoning, reward modeling, formal reasoning, data augmentation, and code interpreter in a unified seq2seq format and supervise our model to be a versatile math reasoner, verifier, prover, and augmenter. These abilities can be used to develop the next math LLMs or self-iteration. InternLM-Math obtains open-sourced state-of-the-art performance under the setting of in-context learning, supervised fine-tuning, and code-assisted reasoning in various informal and formal benchmarks including GSM8K, MATH, Hungary math exam, MathBench-ZH, and MiniF2F. Our pre-trained model achieves 30.3 on the MiniF2F test set without fine-tuning. We further explore how to use LEAN to solve math problems and study its performance under the setting of multi-task learning which shows the possibility of using LEAN as a unified platform for solving and proving in math. Our models, codes, and data are released at https://github.com/InternLM/InternLM-Math.

We explore the application of transformer-based language models to automated theorem proving. This work is motivated by the possibility that a major limitation of automated theorem provers compared to humans -- the generation of original mathematical terms -- might be addressable via generation from language models. We present an automated prover and proof assistant, GPT-f, for the Metamath formalization language, and analyze its performance. GPT-f found new short proofs that were accepted into the main Metamath library, which is to our knowledge, the first time a deep-learning based system has contributed proofs that were adopted by a formal mathematics community.

Large Language Models (LLMs) have shown remarkable performance in various natural language processing tasks but face challenges in mathematical reasoning, where complex problem-solving requires both linguistic understanding and mathematical reasoning skills. Existing approaches to address this challenge often rely on ensemble methods and suffer from the problem of data scarcity in target domains. In this work, we present a novel method to enhance LLMs' capabilities in mathematical reasoning tasks. Motivated by the need to bridge this gap, our approach incorporates a question paraphrase strategy, which aims at diversifying the linguistic forms of mathematical questions to improve generalization. Additionally, specialized training objectives are employed to guide the model's learning process, focusing on enhancing its understanding of mathematical concepts and reasoning processes. We conduct experiments on four datasets using different LLMs, and demonstrate the effectiveness of our approach in improving LLMs' performance on mathematical reasoning tasks. Our findings underscore the significance of our methodology in the advancement of large language models and its potential implications for real-world applications that require mathematical reasoning abilities.

Large language models (LLMs) have pushed the limits of natural language understanding and exhibited excellent problem-solving ability. Despite the great success, most existing open-source LLMs (\eg, LLaMA-2) are still far away from satisfactory for solving mathematical problem due to the complex reasoning procedures. To bridge this gap, we propose MetaMath, a fine-tuned language model that specializes in mathematical reasoning. Specifically, we start by bootstrapping mathematical questions by rewriting the question from multiple perspectives without extra knowledge, which results in a new dataset called {MetaMathQA}. Then we fine-tune the LLaMA-2 models on MetaMathQA. Experimental results on two popular benchmarks (\ie, GSM8K and MATH) for mathematical reasoning demonstrate that MetaMath outperforms a suite of open-source LLMs by a significant margin. Our MetaMath-7B model achieves 66.4% on GSM8K and 19.4% on MATH, exceeding the state-of-the-art models of the same size by 11.5% and 8.7%. Particularly, {MetaMath-70B} achieves an accuracy of 82.3% on {GSM8K}, slightly better than {GPT-3.5-Turbo}. We release the {MetaMathQA} dataset, the {MetaMath} models with different model sizes and the training code for public use.

Inequality proving, crucial across diverse scientific and mathematical fields, tests advanced reasoning skills such as discovering tight bounds and strategic theorem application. This makes it a distinct, demanding frontier for large language models (LLMs), offering insights beyond general mathematical problem-solving. Progress in this area is hampered by existing datasets that are often scarce, synthetic, or rigidly formal. We address this by proposing an informal yet verifiable task formulation, recasting inequality proving into two automatically checkable subtasks: bound estimation and relation prediction. Building on this, we release IneqMath, an expert-curated dataset of Olympiad-level inequalities, including a test set and training corpus enriched with step-wise solutions and theorem annotations. We also develop a novel LLM-as-judge evaluation framework, combining a final-answer judge with four step-wise judges designed to detect common reasoning flaws. A systematic evaluation of 29 leading LLMs on IneqMath reveals a surprising reality: even top models like o1 achieve less than 10% overall accuracy under step-wise scrutiny; this is a drop of up to 65.5% from their accuracy considering only final answer equivalence. This discrepancy exposes fragile deductive chains and a critical gap for current LLMs between merely finding an answer and constructing a rigorous proof. Scaling model size and increasing test-time computation yield limited gains in overall proof correctness. Instead, our findings highlight promising research directions such as theorem-guided reasoning and self-refinement. Code and data are available at https://ineqmath.github.io/.

Data-driven scientific discovery requires iterative cycles of literature search, hypothesis generation, and data analysis. Substantial progress has been made towards AI agents that can automate scientific research, but all such agents remain limited in the number of actions they can take before losing coherence, thus limiting the depth of their findings. Here we present Kosmos, an AI scientist that automates data-driven discovery. Given an open-ended objective and a dataset, Kosmos runs for up to 12 hours performing cycles of parallel data analysis, literature search, and hypothesis generation before synthesizing discoveries into scientific reports. Unlike prior systems, Kosmos uses a structured world model to share information between a data analysis agent and a literature search agent. The world model enables Kosmos to coherently pursue the specified objective over 200 agent rollouts, collectively executing an average of 42,000 lines of code and reading 1,500 papers per run. Kosmos cites all statements in its reports with code or primary literature, ensuring its reasoning is traceable. Independent scientists found 79.4% of statements in Kosmos reports to be accurate, and collaborators reported that a single 20-cycle Kosmos run performed the equivalent of 6 months of their own research time on average. Furthermore, collaborators reported that the number of valuable scientific findings generated scales linearly with Kosmos cycles (tested up to 20 cycles). We highlight seven discoveries made by Kosmos that span metabolomics, materials science, neuroscience, and statistical genetics. Three discoveries independently reproduce findings from preprinted or unpublished manuscripts that were not accessed by Kosmos at runtime, while four make novel contributions to the scientific literature.

Large language models (LLMs) have significantly impacted many aspects of our lives. However, assessing and ensuring their chronological knowledge remains challenging. Existing approaches fall short in addressing the accumulative nature of knowledge, often relying on a single time stamp. To overcome this, we introduce ChroKnowBench, a benchmark dataset designed to evaluate chronologically accumulated knowledge across three key aspects: multiple domains, time dependency, temporal state. Our benchmark distinguishes between knowledge that evolves (e.g., scientific discoveries, amended laws) and knowledge that remain constant (e.g., mathematical truths, commonsense facts). Building on this benchmark, we present ChroKnowledge (Chronological Categorization of Knowledge), a novel sampling-based framework for evaluating and updating LLMs' non-parametric chronological knowledge. Our evaluation shows: (1) The ability of eliciting temporal knowledge varies depending on the data format that model was trained on. (2) LLMs partially recall knowledge or show a cut-off at temporal boundaries rather than recalling all aspects of knowledge correctly. Thus, we apply our ChroKnowPrompt, an in-depth prompting to elicit chronological knowledge by traversing step-by-step through the surrounding time spans. We observe that our framework successfully updates the overall knowledge across the entire timeline in both the biomedical domain (+11.9%) and the general domain (+2.8%), demonstrating its effectiveness in refining temporal knowledge. This non-parametric approach also enables knowledge updates not only in open-source models but also in proprietary LLMs, ensuring comprehensive applicability across model types. We perform a comprehensive analysis based on temporal characteristics of ChroKnowPrompt and validate the potential of various models to elicit intrinsic temporal knowledge through our method.

Machine learning research has advanced in multiple aspects, including model structures and learning methods. The effort to automate such research, known as AutoML, has also made significant progress. However, this progress has largely focused on the architecture of neural networks, where it has relied on sophisticated expert-designed layers as building blocks---or similarly restrictive search spaces. Our goal is to show that AutoML can go further: it is possible today to automatically discover complete machine learning algorithms just using basic mathematical operations as building blocks. We demonstrate this by introducing a novel framework that significantly reduces human bias through a generic search space. Despite the vastness of this space, evolutionary search can still discover two-layer neural networks trained by backpropagation. These simple neural networks can then be surpassed by evolving directly on tasks of interest, e.g. CIFAR-10 variants, where modern techniques emerge in the top algorithms, such as bilinear interactions, normalized gradients, and weight averaging. Moreover, evolution adapts algorithms to different task types: e.g., dropout-like techniques appear when little data is available. We believe these preliminary successes in discovering machine learning algorithms from scratch indicate a promising new direction for the field.

In this paper, we present a deep learning-based framework for solving geometric construction problems through visual reasoning, which is useful for automated geometry theorem proving. Constructible problems in geometry often ask for the sequence of straightedge-and-compass constructions to construct a given goal given some initial setup. Our EuclidNet framework leverages the neural network architecture Mask R-CNN to extract the visual features from the initial setup and goal configuration with extra points of intersection, and then generate possible construction steps as intermediary data models that are used as feedback in the training process for further refinement of the construction step sequence. This process is repeated recursively until either a solution is found, in which case we backtrack the path for a step-by-step construction guide, or the problem is identified as unsolvable. Our EuclidNet framework is validated on complex Japanese Sangaku geometry problems, demonstrating its capacity to leverage backtracking for deep visual reasoning of challenging problems.

Causal discovery, i.e., inferring underlying cause-effect relationships from observations of a scene or system, is an inherent mechanism in human cognition, but has been shown to be highly challenging to automate. The majority of approaches in the literature aiming for this task consider constrained scenarios with fully observed variables or data from stationary time-series. In this work we aim for causal discovery in a more general class of scenarios, scenes with non-stationary behavior over time. For our purposes we here regard a scene as a composition objects interacting with each other over time. Non-stationarity is modeled as stationarity conditioned on an underlying variable, a state, which can be of varying dimension, more or less hidden given observations of the scene, and also depend more or less directly on these observations. We propose a probabilistic deep learning approach called State-Dependent Causal Inference (SDCI) for causal discovery in such conditionally stationary time-series data. Results in two different synthetic scenarios show that this method is able to recover the underlying causal dependencies with high accuracy even in cases with hidden states.

Representation learning has become an invaluable approach for learning from symbolic data such as text and graphs. However, while complex symbolic datasets often exhibit a latent hierarchical structure, state-of-the-art methods typically learn embeddings in Euclidean vector spaces, which do not account for this property. For this purpose, we introduce a new approach for learning hierarchical representations of symbolic data by embedding them into hyperbolic space -- or more precisely into an n-dimensional Poincar\'e ball. Due to the underlying hyperbolic geometry, this allows us to learn parsimonious representations of symbolic data by simultaneously capturing hierarchy and similarity. We introduce an efficient algorithm to learn the embeddings based on Riemannian optimization and show experimentally that Poincar\'e embeddings outperform Euclidean embeddings significantly on data with latent hierarchies, both in terms of representation capacity and in terms of generalization ability.

With the rapid advancement of mathematical reasoning capabilities in Large Language Models (LLMs), AI systems are increasingly being adopted in educational settings to support students' comprehension of problem-solving processes. However, a critical component remains underexplored in current LLM-generated explanations: visual explanation. In real-world instructional contexts, human tutors routinely employ visual aids - such as diagrams, markings, and highlights - to enhance conceptual clarity. To bridge this gap, we introduce a novel task of visual solution explanation, which requires generating explanations that incorporate newly introduced visual elements essential for understanding (e.g., auxiliary lines, annotations, or geometric constructions). To evaluate model performance on this task, we propose MathExplain, a multimodal benchmark consisting of 997 math problems annotated with visual keypoints and corresponding explanatory text that references those elements. Our empirical results show that while some closed-source models demonstrate promising capabilities on visual solution-explaining, current open-source general-purpose models perform inconsistently, particularly in identifying relevant visual components and producing coherent keypoint-based explanations. We expect that visual solution-explaining and the MathExplain dataset will catalyze further research on multimodal LLMs in education and advance their deployment as effective, explanation-oriented AI tutors. Code and data will be released publicly.

We review some recent applications of machine learning to algebraic geometry and physics. Since problems in algebraic geometry can typically be reformulated as mappings between tensors, this makes them particularly amenable to supervised learning. Additionally, unsupervised methods can provide insight into the structure of such geometrical data. At the heart of this programme is the question of how geometry can be machine learned, and indeed how AI helps one to do mathematics. This is a chapter contribution to the book Machine learning and Algebraic Geometry, edited by A. Kasprzyk et al.

Geometry problem solving has attracted much attention in the NLP community recently. The task is challenging as it requires abstract problem understanding and symbolic reasoning with axiomatic knowledge. However, current datasets are either small in scale or not publicly available. Thus, we construct a new large-scale benchmark, Geometry3K, consisting of 3,002 geometry problems with dense annotation in formal language. We further propose a novel geometry solving approach with formal language and symbolic reasoning, called Interpretable Geometry Problem Solver (Inter-GPS). Inter-GPS first parses the problem text and diagram into formal language automatically via rule-based text parsing and neural object detecting, respectively. Unlike implicit learning in existing methods, Inter-GPS incorporates theorem knowledge as conditional rules and performs symbolic reasoning step by step. Also, a theorem predictor is designed to infer the theorem application sequence fed to the symbolic solver for the more efficient and reasonable searching path. Extensive experiments on the Geometry3K and GEOS datasets demonstrate that Inter-GPS achieves significant improvements over existing methods. The project with code and data is available at https://lupantech.github.io/inter-gps.

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

Foundation models (FMs), such as GPT-4 and AlphaFold, are reshaping the landscape of scientific research. Beyond accelerating tasks such as hypothesis generation, experimental design, and result interpretation, they prompt a more fundamental question: Are FMs merely enhancing existing scientific methodologies, or are they redefining the way science is conducted? In this paper, we argue that FMs are catalyzing a transition toward a new scientific paradigm. We introduce a three-stage framework to describe this evolution: (1) Meta-Scientific Integration, where FMs enhance workflows within traditional paradigms; (2) Hybrid Human-AI Co-Creation, where FMs become active collaborators in problem formulation, reasoning, and discovery; and (3) Autonomous Scientific Discovery, where FMs operate as independent agents capable of generating new scientific knowledge with minimal human intervention. Through this lens, we review current applications and emerging capabilities of FMs across existing scientific paradigms. We further identify risks and future directions for FM-enabled scientific discovery. This position paper aims to support the scientific community in understanding the transformative role of FMs and to foster reflection on the future of scientific discovery. Our project is available at https://github.com/usail-hkust/Awesome-Foundation-Models-for-Scientific-Discovery.

The standard methodology of evaluating large language models (LLMs) based on static pairs of inputs and outputs is insufficient for developing assistants: this kind of assessments fails to take into account the essential interactive element in their deployment, and therefore limits how we understand language model capabilities. We introduce CheckMate, an adaptable prototype platform for humans to interact with and evaluate LLMs. We conduct a study with CheckMate to evaluate three language models~(InstructGPT, ChatGPT, and GPT-4) as assistants in proving undergraduate-level mathematics, with a mixed cohort of participants from undergraduate students to professors of mathematics. We release the resulting interaction and rating dataset, MathConverse. By analysing MathConverse, we derive a preliminary taxonomy of human behaviours and uncover that despite a generally positive correlation, there are notable instances of divergence between correctness and perceived helpfulness in LLM generations, amongst other findings. Further, we identify useful scenarios and existing issues of GPT-4 in mathematical reasoning through a series of case studies contributed by expert mathematicians. We conclude with actionable takeaways for ML practitioners and mathematicians: models which communicate uncertainty, respond well to user corrections, are more interpretable and concise may constitute better assistants; interactive evaluation is a promising way to continually navigate the capability of these models; humans should be aware of language models' algebraic fallibility, and for that reason discern where they should be used.

Step-level reward models (SRMs) can significantly enhance mathematical reasoning performance through process supervision or step-level preference alignment based on reinforcement learning. The performance of SRMs is pivotal, as they serve as critical guidelines, ensuring that each step in the reasoning process is aligned with desired outcomes. Recently, AlphaZero-like methods, where Monte Carlo Tree Search (MCTS) is employed for automatic step-level preference annotation, have proven particularly effective. However, the precise mechanisms behind the success of SRMs remain largely unexplored. To address this gap, this study delves into the counterintuitive aspects of SRMs, particularly focusing on MCTS-based approaches. Our findings reveal that the removal of natural language descriptions of thought processes has minimal impact on the efficacy of SRMs. Furthermore, we demonstrate that SRMs are adept at assessing the complex logical coherence present in mathematical language while having difficulty in natural language. These insights provide a nuanced understanding of the core elements that drive effective step-level reward modeling in mathematical reasoning. By shedding light on these mechanisms, this study offers valuable guidance for developing more efficient and streamlined SRMs, which can be achieved by focusing on the crucial parts of mathematical reasoning.

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.

An AI system can create and maintain knowledge only to the extent that it can verify that knowledge itself. Recent work on long Chain-of-Thought reasoning has demonstrated great potential of LLMs on solving competitive problems, but their verification ability remains to be weak and not sufficiently investigated. In this paper, we propose Heimdall, the long CoT verification LLM that can accurately judge the correctness of solutions. With pure reinforcement learning, we boost the verification accuracy from 62.5% to 94.5% on competitive math problems. By scaling with repeated sampling, the accuracy further increases to 97.5%. Through human evaluation, Heimdall demonstrates impressive generalization capabilities, successfully detecting most issues in challenging math proofs, the type of which is not included during training. Furthermore, we propose Pessimistic Verification to extend the functionality of Heimdall to scaling up the problem solving. It calls Heimdall to judge the solutions from a solver model and based on the pessimistic principle, selects the most likely correct solution with the least uncertainty. Taking DeepSeek-R1-Distill-Qwen-32B as the solver model, Pessimistic Verification improves the solution accuracy on AIME2025 from 54.2% to 70.0% with 16x compute budget and to 83.3% with more compute budget. With the stronger solver Gemini 2.5 Pro, the score reaches 93.0%. Finally, we prototype an automatic knowledge discovery system, a ternary system where one poses questions, another provides solutions, and the third verifies the solutions. Using the data synthesis work NuminaMath for the first two components, Heimdall effectively identifies problematic records within the dataset and reveals that nearly half of the data is flawed, which interestingly aligns with the recent ablation studies from NuminaMath.

Recently, Large Language Models (LLMs) have been applied to scientific equation discovery, leveraging their embedded scientific knowledge for hypothesis generation. However, current methods typically confine LLMs to the role of an equation proposer within search algorithms like genetic programming. In this paper, we present SR-Scientist, a framework that elevates the LLM from a simple equation proposer to an autonomous AI scientist that writes code to analyze data, implements the equation as code, submits it for evaluation, and optimizes the equation based on experimental feedback. Specifically, we wrap the code interpreter into a set of tools for data analysis and equation evaluation. The agent is instructed to optimize the equation by utilizing these tools over a long horizon with minimal human-defined pipelines. Empirical results show that SR-Scientist outperforms baseline methods by an absolute margin of 6% to 35% on datasets covering four science disciplines. Additionally, we demonstrate our method's robustness to noise, the generalization of the discovered equations to out-of-domain data, and their symbolic accuracy. Furthermore, we develop an end-to-end reinforcement learning framework to enhance the agent's capabilities.

Mathematical reasoning continues to be a critical challenge in large language model (LLM) development with significant interest. However, most of the cutting-edge progress in mathematical reasoning with LLMs has become closed-source due to lack of access to training data. This lack of data access limits researchers from understanding the impact of different choices for synthesizing and utilizing the data. With the goal of creating a high-quality finetuning (SFT) dataset for math reasoning, we conduct careful ablation experiments on data synthesis using the recently released Llama3.1 family of models. Our experiments show that: (a) solution format matters, with excessively verbose solutions proving detrimental to SFT performance, (b) data generated by a strong teacher outperforms on-policy data generated by a weak student model, (c) SFT is robust to low-quality solutions, allowing for imprecise data filtering, and (d) question diversity is crucial for achieving data scaling gains. Based on these insights, we create the OpenMathInstruct-2 dataset, which consists of 14M question-solution pairs (approx 600K unique questions), making it nearly eight times larger than the previous largest open-source math reasoning dataset. Finetuning the Llama-3.1-8B-Base using OpenMathInstruct-2 outperforms Llama3.1-8B-Instruct on MATH by an absolute 15.9\% (51.9\% rightarrow 67.8\%). Finally, to accelerate the open-source efforts, we release the code, the finetuned models, and the OpenMathInstruct-2 dataset under a commercially permissive license.

Human cognition exhibits systematic compositionality, the algebraic ability to generate infinite novel combinations from finite learned components, which is the key to understanding and reasoning about complex logic. In this work, we investigate the compositionality of large language models (LLMs) in mathematical reasoning. Specifically, we construct a new dataset MathTrap by introducing carefully designed logical traps into the problem descriptions of MATH and GSM8K. Since problems with logical flaws are quite rare in the real world, these represent "unseen" cases to LLMs. Solving these requires the models to systematically compose (1) the mathematical knowledge involved in the original problems with (2) knowledge related to the introduced traps. Our experiments show that while LLMs possess both components of requisite knowledge, they do not spontaneously combine them to handle these novel cases. We explore several methods to mitigate this deficiency, such as natural language prompts, few-shot demonstrations, and fine-tuning. Additionally, we test the recently released OpenAI o1 model and find that human-like `slow thinking' helps improve the compositionality of LLMs. Overall, systematic compositionality remains an open challenge for large language models.

Large language models (LLMs) have demonstrated impressive performance on reasoning tasks, including mathematical reasoning. However, the current evaluation mostly focuses on carefully constructed benchmarks and neglects the consideration of real-world reasoning problems that present missing or contradictory conditions, known as ill-defined problems. To further study this problem, we develop a largescale benchmark called Problems with Missing and Contradictory conditions ( PMC) containing over 5,000 validated ill-defined mathematical problems. Our preliminary experiments through PMC reveal two challenges about existing methods: (1) traditional methods exhibit a trade-off between solving accuracy and rejection capabilities, and (2) formal methods struggle with modeling complex problems. To address these challenges, We develop Variable-Constraint Search (VCSEARCH), a trainingfree framework that leverages formal language to detect ill-defined problems, where a variableconstraint pair search strategy is incorporated to improve the modeling capability of formal language. Extensive experiments demonstrate that VCSEARCH improves the accuracy of identifying unsolvable problems by at least 12% across different LLMs, thus achieving stronger robust mathematical reasoning ability.

Recent advancements in meta-learning have enabled the automatic discovery of novel reinforcement learning algorithms parameterized by surrogate objective functions. To improve upon manually designed algorithms, the parameterization of this learned objective function must be expressive enough to represent novel principles of learning (instead of merely recovering already established ones) while still generalizing to a wide range of settings outside of its meta-training distribution. However, existing methods focus on discovering objective functions that, like many widely used objective functions in reinforcement learning, do not take into account the total number of steps allowed for training, or "training horizon". In contrast, humans use a plethora of different learning objectives across the course of acquiring a new ability. For instance, students may alter their studying techniques based on the proximity to exam deadlines and their self-assessed capabilities. This paper contends that ignoring the optimization time horizon significantly restricts the expressive potential of discovered learning algorithms. We propose a simple augmentation to two existing objective discovery approaches that allows the discovered algorithm to dynamically update its objective function throughout the agent's training procedure, resulting in expressive schedules and increased generalization across different training horizons. In the process, we find that commonly used meta-gradient approaches fail to discover such adaptive objective functions while evolution strategies discover highly dynamic learning rules. We demonstrate the effectiveness of our approach on a wide range of tasks and analyze the resulting learned algorithms, which we find effectively balance exploration and exploitation by modifying the structure of their learning rules throughout the agent's lifetime.

Multimodal Large Language Models (MLLMs) have demonstrated impressive capabilities across various tasks, but still struggle with complex mathematical reasoning. Existing research primarily focuses on dataset construction and method optimization, often overlooking two critical aspects: comprehensive knowledge-driven design and model-centric data space modeling. In this paper, we introduce We-Math 2.0, a unified system that integrates a structured mathematical knowledge system, model-centric data space modeling, and a reinforcement learning (RL)-based training paradigm to comprehensively enhance the mathematical reasoning abilities of MLLMs. The key contributions of We-Math 2.0 are fourfold: (1) MathBook Knowledge System: We construct a five-level hierarchical system encompassing 491 knowledge points and 1,819 fundamental principles. (2) MathBook-Standard & Pro: We develop MathBook-Standard, a dataset that ensures broad conceptual coverage and flexibility through dual expansion. Additionally, we define a three-dimensional difficulty space and generate 7 progressive variants per problem to build MathBook-Pro, a challenging dataset for robust training. (3) MathBook-RL: We propose a two-stage RL framework comprising: (i) Cold-Start Fine-tuning, which aligns the model with knowledge-oriented chain-of-thought reasoning; and (ii) Progressive Alignment RL, leveraging average-reward learning and dynamic data scheduling to achieve progressive alignment across difficulty levels. (4) MathBookEval: We introduce a comprehensive benchmark covering all 491 knowledge points with diverse reasoning step distributions. Experimental results show that MathBook-RL performs competitively with existing baselines on four widely-used benchmarks and achieves strong results on MathBookEval, suggesting promising generalization in mathematical reasoning.