Daily Papers

While large language models (LLMs) have been successfully applied to various tasks, they still face challenges with hallucinations. Augmenting LLMs with domain-specific tools such as database utilities can facilitate easier and more precise access to specialized knowledge. In this paper, we present GeneGPT, a novel method for teaching LLMs to use the Web APIs of the National Center for Biotechnology Information (NCBI) for answering genomics questions. Specifically, we prompt Codex to solve the GeneTuring tests with NCBI Web APIs by in-context learning and an augmented decoding algorithm that can detect and execute API calls. Experimental results show that GeneGPT achieves state-of-the-art performance on eight tasks in the GeneTuring benchmark with an average score of 0.83, largely surpassing retrieval-augmented LLMs such as the new Bing (0.44), biomedical LLMs such as BioMedLM (0.08) and BioGPT (0.04), as well as GPT-3 (0.16) and ChatGPT (0.12). Our further analyses suggest that: (1) API demonstrations have good cross-task generalizability and are more useful than documentations for in-context learning; (2) GeneGPT can generalize to longer chains of API calls and answer multi-hop questions in GeneHop, a novel dataset introduced in this work; (3) Different types of errors are enriched in different tasks, providing valuable insights for future improvements.

Human intelligence excels at combining basic skills to solve complex tasks. This capability is vital for Artificial Intelligence (AI) and should be embedded in comprehensive intelligent models, enabling them to harness expert models for complex task-solving towards Artificial General Intelligence (AGI). Large Language Models (LLMs) show promising learning and reasoning abilities, and can effectively use external models, tools or APIs to tackle complex problems. In this work, we introduce OpenAGI, an open-source AGI research platform designed for multi-step, real-world tasks. Specifically, OpenAGI uses a dual strategy, integrating standard benchmark tasks for benchmarking and evaluation, and open-ended tasks including more expandable models, tools or APIs for creative problem-solving. Tasks are presented as natural language queries to the LLM, which then selects and executes appropriate models. We also propose a Reinforcement Learning from Task Feedback (RLTF) mechanism that uses task results to improve the LLM's ability, which creates a self-improving AI feedback loop. While we acknowledge that AGI is a broad and multifaceted research challenge with no singularly defined solution path, the integration of LLMs with domain-specific expert models, inspired by mirroring the blend of general and specialized intelligence in humans, offers a promising approach towards AGI. We are open-sourcing the OpenAGI project's code, dataset, benchmarks, evaluation methods, and demo to foster community involvement in AGI advancement: https://github.com/agiresearch/OpenAGI.

Enhancing the mathematical reasoning of large language models (LLMs) demands high-quality training data, yet conventional methods face critical challenges in scalability, cost, and data reliability. To address these limitations, we propose a novel program-assisted synthesis framework that systematically generates a high-quality mathematical corpus with guaranteed diversity, complexity, and correctness. This framework integrates mathematical knowledge systems and domain-specific tools to create executable programs. These programs are then translated into natural language problem-solution pairs and vetted by a bilateral validation mechanism that verifies solution correctness against program outputs and ensures program-problem consistency. We have generated 12.3 million such problem-solving triples. Experiments demonstrate that models fine-tuned on our data significantly improve their inference capabilities, achieving state-of-the-art performance on several benchmark datasets and showcasing the effectiveness of our synthesis approach.

Large language models (LLMs) have shown remarkable potential in various domains, but they often lack the ability to access and reason over domain-specific knowledge and tools. In this paper, we introduced CACTUS (Chemistry Agent Connecting Tool-Usage to Science), an LLM-based agent that integrates cheminformatics tools to enable advanced reasoning and problem-solving in chemistry and molecular discovery. We evaluate the performance of CACTUS using a diverse set of open-source LLMs, including Gemma-7b, Falcon-7b, MPT-7b, Llama2-7b, and Mistral-7b, on a benchmark of thousands of chemistry questions. Our results demonstrate that CACTUS significantly outperforms baseline LLMs, with the Gemma-7b and Mistral-7b models achieving the highest accuracy regardless of the prompting strategy used. Moreover, we explore the impact of domain-specific prompting and hardware configurations on model performance, highlighting the importance of prompt engineering and the potential for deploying smaller models on consumer-grade hardware without significant loss in accuracy. By combining the cognitive capabilities of open-source LLMs with domain-specific tools, CACTUS can assist researchers in tasks such as molecular property prediction, similarity searching, and drug-likeness assessment. Furthermore, CACTUS represents a significant milestone in the field of cheminformatics, offering an adaptable tool for researchers engaged in chemistry and molecular discovery. By integrating the strengths of open-source LLMs with domain-specific tools, CACTUS has the potential to accelerate scientific advancement and unlock new frontiers in the exploration of novel, effective, and safe therapeutic candidates, catalysts, and materials. Moreover, CACTUS's ability to integrate with automated experimentation platforms and make data-driven decisions in real time opens up new possibilities for autonomous discovery.

Legal contracts in the custody and fund services domain govern critical aspects such as key provider responsibilities, fee schedules, and indemnification rights. However, it is challenging for an off-the-shelf Large Language Model (LLM) to ingest these contracts due to the lengthy unstructured streams of text, limited LLM context windows, and complex legal jargon. To address these challenges, we introduce LAW (Legal Agentic Workflows for Custody and Fund Services Contracts). LAW features a modular design that responds to user queries by orchestrating a suite of domain-specific tools and text agents. Our experiments demonstrate that LAW, by integrating multiple specialized agents and tools, significantly outperforms the baseline. LAW excels particularly in complex tasks such as calculating a contract's termination date, surpassing the baseline by 92.9% points. Furthermore, LAW offers a cost-effective alternative to traditional fine-tuned legal LLMs by leveraging reusable, domain-specific tools.

Information seeking is a fundamental requirement for humans. However, existing LLM agents rely heavily on open-web search, which exposes two fundamental weaknesses: online content is noisy and unreliable, and many real-world tasks require precise, domain-specific knowledge unavailable from the web. The emergence of the Model Context Protocol (MCP) now allows agents to interface with thousands of specialized tools, seemingly resolving this limitation. Yet it remains unclear whether agents can effectively leverage such tools -- and more importantly, whether they can integrate them with general-purpose search to solve complex tasks. Therefore, we introduce InfoMosaic-Bench, the first benchmark dedicated to multi-source information seeking in tool-augmented agents. Covering six representative domains (medicine, finance, maps, video, web, and multi-domain integration), InfoMosaic-Bench requires agents to combine general-purpose search with domain-specific tools. Tasks are synthesized with InfoMosaic-Flow, a scalable pipeline that grounds task conditions in verified tool outputs, enforces cross-source dependencies, and filters out shortcut cases solvable by trivial lookup. This design guarantees both reliability and non-triviality. Experiments with 14 state-of-the-art LLM agents reveal three findings: (i) web information alone is insufficient, with GPT-5 achieving only 38.2% accuracy and 67.5% pass rate; (ii) domain tools provide selective but inconsistent benefits, improving some domains while degrading others; and (iii) 22.4% of failures arise from incorrect tool usage or selection, highlighting that current LLMs still struggle with even basic tool handling.

Recent advances in Large Language Models (LLMs) have demonstrated impressive capabilities in financial reasoning and market understanding. Multi-agent LLM frameworks such as TradingAgent and FINMEM augment these models to long-horizon investment tasks, leveraging fundamental and sentiment-based inputs for strategic decision-making. However, such systems are ill-suited for the high-speed, precision-critical demands of High-Frequency Trading (HFT). HFT requires rapid, risk-aware decisions based on structured, short-horizon signals, including technical indicators, chart patterns, and trend-based features, distinct from the long-term semantic reasoning typical of traditional financial LLM applications. To this end, we introduce QuantAgent, the first multi-agent LLM framework explicitly designed for high-frequency algorithmic trading. The system decomposes trading into four specialized agents, Indicator, Pattern, Trend, and Risk, each equipped with domain-specific tools and structured reasoning capabilities to capture distinct aspects of market dynamics over short temporal windows. In zero-shot evaluations across ten financial instruments, including Bitcoin and Nasdaq futures, QuantAgent demonstrates superior performance in both predictive accuracy and cumulative return over 4-hour trading intervals, outperforming strong neural and rule-based baselines. Our findings suggest that combining structured financial priors with language-native reasoning unlocks new potential for traceable, real-time decision systems in high-frequency financial markets.

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/.

Large Language Models (LLMs) are reshaping many aspects of materials science and chemistry research, enabling advances in molecular property prediction, materials design, scientific automation, knowledge extraction, and more. Recent developments demonstrate that the latest class of models are able to integrate structured and unstructured data, assist in hypothesis generation, and streamline research workflows. To explore the frontier of LLM capabilities across the research lifecycle, we review applications of LLMs through 34 total projects developed during the second annual Large Language Model Hackathon for Applications in Materials Science and Chemistry, a global hybrid event. These projects spanned seven key research areas: (1) molecular and material property prediction, (2) molecular and material design, (3) automation and novel interfaces, (4) scientific communication and education, (5) research data management and automation, (6) hypothesis generation and evaluation, and (7) knowledge extraction and reasoning from the scientific literature. Collectively, these applications illustrate how LLMs serve as versatile predictive models, platforms for rapid prototyping of domain-specific tools, and much more. In particular, improvements in both open source and proprietary LLM performance through the addition of reasoning, additional training data, and new techniques have expanded effectiveness, particularly in low-data environments and interdisciplinary research. As LLMs continue to improve, their integration into scientific workflows presents both new opportunities and new challenges, requiring ongoing exploration, continued refinement, and further research to address reliability, interpretability, and reproducibility.

Large language model (LLM)-powered agents are increasingly used to plan and execute scientific workflows, yet most research cyberinfrastructure (CI) exposes heterogeneous APIs and implements security models that present barriers for use by agents. We report on our experience using the Model Context Protocol (MCP) as a unifying interface that makes research capabilities discoverable, invokable, and composable. Our approach is pragmatic: we implement thin MCP servers over mature services, including Globus Transfer, Compute, and Search; status APIs exposed by computing facilities; Octopus event fabric; and domain-specific tools such as Garden and Galaxy. We use case studies in computational chemistry, bioinformatics, quantum chemistry, and filesystem monitoring to illustrate how this MCP-oriented architecture can be used in practice. We distill lessons learned and outline open challenges in evaluation and trust for agent-led science.

Extraction of relevant pathological terms from radiology reports is important for correct image label generation and disease population studies. In this letter, we compare the performance of some known application program interface (APIs) for the task of thoracic abnormality extraction from radiology reports. We explored several medical domain specific annotation tools like Medical Text Indexer(MTI) with Non-MEDLINE and Mesh On Demand(MOD) options and generic Natural Language Understanding (NLU) API provided by the IBM cloud. Our results show that although MTI and MOD are intended for extracting medical terms, their performance is worst compared to generic extraction API like IBM NLU. Finally, we trained a DNN-based Named Entity Recognition (NER) model to extract the key concept words from radiology reports. Our model outperforms the medical specific and generic API performance by a large margin. Our results demonstrate the inadequacy of generic APIs for pathology extraction task and establish the importance of domain specific model training for improved results. We hope that these results motivate the research community to release larger de-identified radiology reports corpus for building high accuracy machine learning models for the important task of pathology extraction.

Document summarization is a task to shorten texts into concise and informative summaries. This paper introduces a novel dataset designed for summarizing multiple scientific articles into a section of a survey. Our contributions are: (1) SurveySum, a new dataset addressing the gap in domain-specific summarization tools; (2) two specific pipelines to summarize scientific articles into a section of a survey; and (3) the evaluation of these pipelines using multiple metrics to compare their performance. Our results highlight the importance of high-quality retrieval stages and the impact of different configurations on the quality of generated summaries.

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

Novel view synthesis (NVS) enables to generate new images of a scene or convert a set of 2D images into a comprehensive 3D model. In the context of Space Domain Awareness, since space is becoming increasingly congested, NVS can accurately map space objects and debris, improving the safety and efficiency of space operations. Similarly, in Rendezvous and Proximity Operations missions, 3D models can provide details about a target object's shape, size, and orientation, allowing for better planning and prediction of the target's behavior. In this work, we explore the generalization abilities of these reconstruction techniques, aiming to avoid the necessity of retraining for each new scene, by presenting a novel approach to 3D spacecraft reconstruction from single-view images, DreamSat, by fine-tuning the Zero123 XL, a state-of-the-art single-view reconstruction model, on a high-quality dataset of 190 high-quality spacecraft models and integrating it into the DreamGaussian framework. We demonstrate consistent improvements in reconstruction quality across multiple metrics, including Contrastive Language-Image Pretraining (CLIP) score (+0.33%), Peak Signal-to-Noise Ratio (PSNR) (+2.53%), Structural Similarity Index (SSIM) (+2.38%), and Learned Perceptual Image Patch Similarity (LPIPS) (+0.16%) on a test set of 30 previously unseen spacecraft images. Our method addresses the lack of domain-specific 3D reconstruction tools in the space industry by leveraging state-of-the-art diffusion models and 3D Gaussian splatting techniques. This approach maintains the efficiency of the DreamGaussian framework while enhancing the accuracy and detail of spacecraft reconstructions. The code for this work can be accessed on GitHub (https://github.com/ARCLab-MIT/space-nvs).

Leveraging large language models in real-world settings often entails a need to utilize domain-specific data and tools in order to follow the complex regulations that need to be followed for acceptable use. Within financial sectors, modern enterprises increasingly rely on Retrieval-Augmented Generation (RAG) systems to address complex compliance requirements in financial document workflows. However, existing solutions struggle to account for the inherent heterogeneity of data (e.g., text, tables, diagrams) and evolving nature of regulatory standards used in financial filings, leading to compromised accuracy in critical information extraction. We propose the FinSage framework as a solution, utilizing a multi-aspect RAG framework tailored for regulatory compliance analysis in multi-modal financial documents. FinSage introduces three innovative components: (1) a multi-modal pre-processing pipeline that unifies diverse data formats and generates chunk-level metadata summaries, (2) a multi-path sparse-dense retrieval system augmented with query expansion (HyDE) and metadata-aware semantic search, and (3) a domain-specialized re-ranking module fine-tuned via Direct Preference Optimization (DPO) to prioritize compliance-critical content. Extensive experiments demonstrate that FinSage achieves an impressive recall of 92.51% on 75 expert-curated questions derived from surpasses the best baseline method on the FinanceBench question answering datasets by 24.06% in accuracy. Moreover, FinSage has been successfully deployed as financial question-answering agent in online meetings, where it has already served more than 1,200 people.

Trustworthy interpretation of deep learning models is critical for neuroimaging applications, yet commonly used Explainable AI (XAI) methods lack rigorous validation, risking misinterpretation. We performed the first large-scale, systematic comparison of XAI methods on ~45,000 structural brain MRIs using a novel XAI validation framework. This framework establishes verifiable ground truth by constructing prediction tasks with known signal sources - from localized anatomical features to subject-specific clinical lesions - without artificially altering input images. Our analysis reveals systematic failures in two of the most widely used methods: GradCAM consistently failed to localize predictive features, while Layer-wise Relevance Propagation generated extensive, artifactual explanations that suggest incompatibility with neuroimaging data characteristics. Our results indicate that these failures stem from a domain mismatch, where methods with design principles tailored to natural images require substantial adaptation for neuroimaging data. In contrast, the simpler, gradient-based method SmoothGrad, which makes fewer assumptions about data structure, proved consistently accurate, suggesting its conceptual simplicity makes it more robust to this domain shift. These findings highlight the need for domain-specific adaptation and validation of XAI methods, suggest that interpretations from prior neuroimaging studies using standard XAI methodology warrant re-evaluation, and provide urgent guidance for practical application of XAI in neuroimaging.

The application of on-device language models (ODLMs) on resource-constrained edge devices is a multi-dimensional problem that strikes a fine balance between computational effectiveness, memory, power usage, and linguistic capacity across heterogeneous tasks. This holistic study conducts a thorough investigation of the trade-offs between domain-specific optimization and cross-domain robustness, culminating in the proposal of the Generalized Edge Model (GEM), a new architecture that aims to balance specialization and generalization in a harmonious manner. With a rigorous experimental approach testing 47 well-chosen benchmarks in eight domains--healthcare, law, finance, STEM, commonsense, conversational AI, multilingual, and domain-adaptive tasks--we show that conventional optimization techniques decrease target task perplexity by 18-25% but result in a precipitous decline in general-task performance with F1 scores decreasing by 12-29%, as reported by Liu et al. GEM employs a Sparse Cross-Attention Router (SCAR) to dynamically allocate computation to a variable number of computing resources with a cross-domain F1 accuracy of 0.89 on less than 100ms latency across Raspberry Pi 4, Pixel 6, iPhone 13, and bespoke custom neural processing units (NPUs). Compared to GPT-4 Lite, GEM enhances the general-task level by 7% with respect and parity in domain-specific performance. We propose three new measurement tools--Domain Specialization Index (DSI), Generalization Gap (GG), and Cross-Domain Transfer Ratio (CDTR)--which show strong correlation between model compression intensity and brittleness.

This paper addresses a critical challenge in cybersecurity: the gap between vulnerability information represented by Common Vulnerabilities and Exposures (CVEs) and the resulting cyberattack actions. CVEs provide insights into vulnerabilities, but often lack details on potential threat actions (tactics, techniques, and procedures, or TTPs) within the ATT&CK framework. This gap hinders accurate CVE categorization and proactive countermeasure initiation. The paper introduces the TTPpredictor tool, which uses innovative techniques to analyze CVE descriptions and infer plausible TTP attacks resulting from CVE exploitation. TTPpredictor overcomes challenges posed by limited labeled data and semantic disparities between CVE and TTP descriptions. It initially extracts threat actions from unstructured cyber threat reports using Semantic Role Labeling (SRL) techniques. These actions, along with their contextual attributes, are correlated with MITRE's attack functionality classes. This automated correlation facilitates the creation of labeled data, essential for categorizing novel threat actions into threat functionality classes and TTPs. The paper presents an empirical assessment, demonstrating TTPpredictor's effectiveness with accuracy rates of approximately 98% and F1-scores ranging from 95% to 98% in precise CVE classification to ATT&CK techniques. TTPpredictor outperforms state-of-the-art language model tools like ChatGPT. Overall, this paper offers a robust solution for linking CVEs to potential attack techniques, enhancing cybersecurity practitioners' ability to proactively identify and mitigate threats.

The computational analysis of poetry is limited by the scarcity of tools to automatically analyze and scan poems. In a multilingual settings, the problem is exacerbated as scansion and rhyme systems only exist for individual languages, making comparative studies very challenging and time consuming. In this work, we present Alberti, the first multilingual pre-trained large language model for poetry. Through domain-specific pre-training (DSP), we further trained multilingual BERT on a corpus of over 12 million verses from 12 languages. We evaluated its performance on two structural poetry tasks: Spanish stanza type classification, and metrical pattern prediction for Spanish, English and German. In both cases, Alberti outperforms multilingual BERT and other transformers-based models of similar sizes, and even achieves state-of-the-art results for German when compared to rule-based systems, demonstrating the feasibility and effectiveness of DSP in the poetry domain.

The imperative need to scale computation across numerous nodes highlights the significance of efficient parallel computing, particularly in the realm of Message Passing Interface (MPI) integration. The challenging parallel programming task of generating MPI-based parallel programs has remained unexplored. This study first investigates the performance of state-of-the-art language models in generating MPI-based parallel programs. Findings reveal that widely used models such as GPT-3.5 and PolyCoder (specialized multi-lingual code models) exhibit notable performance degradation, when generating MPI-based programs compared to general-purpose programs. In contrast, domain-specific models such as MonoCoder, which are pretrained on MPI-related programming languages of C and C++, outperform larger models. Subsequently, we introduce a dedicated downstream task of MPI-based program generation by fine-tuning MonoCoder on HPCorpusMPI. We call the resulting model as MPIrigen. We propose an innovative preprocessing for completion only after observing the whole code, thus enabling better completion with a wider context. Comparative analysis against GPT-3.5 zero-shot performance, using a novel HPC-oriented evaluation method, demonstrates that MPIrigen excels in generating accurate MPI functions up to 0.8 accuracy in location and function predictions, and with more than 0.9 accuracy for argument predictions. The success of this tailored solution underscores the importance of domain-specific fine-tuning in optimizing language models for parallel computing code generation, paving the way for a new generation of automatic parallelization tools. The sources of this work are available at our GitHub MPIrigen repository: https://github.com/Scientific-Computing-Lab-NRCN/MPI-rigen

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Unlike conventional LLM-based reasoning approaches, which rely solely on internal inference, Agentic Reasoning dynamically engages web search, code execution, and structured reasoning-context memory to solve complex problems requiring deep research and multi-step logical deduction. Our framework introduces the Mind Map agent, which constructs a structured knowledge graph to track logical relationships, improving deductive reasoning. Additionally, the integration of web-search and coding agents enables real-time retrieval and computational analysis, enhancing reasoning accuracy and decision-making. Evaluations on PhD-level scientific reasoning (GPQA) and domain-specific deep research tasks demonstrate that our approach significantly outperforms existing models, including leading retrieval-augmented generation (RAG) systems and closed-source LLMs. Moreover, our results indicate that agentic reasoning improves expert-level knowledge synthesis, test-time scalability, and structured problem-solving. The code is at: https://github.com/theworldofagents/Agentic-Reasoning.

Sparse Autoencoders have emerged as powerful tools for interpreting the internal representations of Large Language Models, yet they often fail to capture domain-specific features not prevalent in their training corpora. This paper introduces a residual learning approach that addresses this feature blindness without requiring complete retraining. We propose training a secondary SAE specifically to model the reconstruction error of a pretrained SAE on domain-specific texts, effectively capturing features missed by the primary model. By summing the outputs of both models during inference, we demonstrate significant improvements in both LLM cross-entropy and explained variance metrics across multiple specialized domains. Our experiments show that this method efficiently incorporates new domain knowledge into existing SAEs while maintaining their performance on general tasks. This approach enables researchers to selectively enhance SAE interpretability for specific domains of interest, opening new possibilities for targeted mechanistic interpretability of LLMs.

Large language models (LLMs) have achieved impressive performance on various reasoning tasks. To further improve the performance, we propose MultiTool-CoT, a novel framework that leverages chain-of-thought (CoT) prompting to incorporate multiple external tools, such as a calculator and a knowledge retriever, during the reasoning process. We apply MultiTool-CoT to the Task 2 dataset of NumGLUE, which requires both numerical reasoning and domain-specific knowledge. The experiments show that our method significantly outperforms strong baselines and achieves state-of-the-art performance.

Smart contracts are essential to decentralized finance (DeFi) and blockchain ecosystems but are increasingly vulnerable to exploits due to coding errors and complex attack vectors. Traditional static analysis tools and existing vulnerability detection methods often fail to address these challenges comprehensively, leading to high false-positive rates and an inability to detect dynamic vulnerabilities. This paper introduces SmartLLM, a novel approach leveraging fine-tuned LLaMA 3.1 models with Retrieval-Augmented Generation (RAG) to enhance the accuracy and efficiency of smart contract auditing. By integrating domain-specific knowledge from ERC standards and employing advanced techniques such as QLoRA for efficient fine-tuning, SmartLLM achieves superior performance compared to static analysis tools like Mythril and Slither, as well as zero-shot large language model (LLM) prompting methods such as GPT-3.5 and GPT-4. Experimental results demonstrate a perfect recall of 100% and an accuracy score of 70%, highlighting the model's robustness in identifying vulnerabilities, including reentrancy and access control issues. This research advances smart contract security by offering a scalable and effective auditing solution, supporting the secure adoption of decentralized applications.

As LLM-based agents are increasingly deployed in real-life scenarios, existing benchmarks fail to capture their inherent complexity of handling extensive information, leveraging diverse resources, and managing dynamic user interactions. To address this gap, we introduce VitaBench, a challenging benchmark that evaluates agents on versatile interactive tasks grounded in real-world settings. Drawing from daily applications in food delivery, in-store consumption, and online travel services, VitaBench presents agents with the most complex life-serving simulation environment to date, comprising 66 tools. Through a framework that eliminates domain-specific policies, we enable flexible composition of these scenarios and tools, yielding 100 cross-scenario tasks (main results) and 300 single-scenario tasks. Each task is derived from multiple real user requests and requires agents to reason across temporal and spatial dimensions, utilize complex tool sets, proactively clarify ambiguous instructions, and track shifting user intent throughout multi-turn conversations. Moreover, we propose a rubric-based sliding window evaluator, enabling robust assessment of diverse solution pathways in complex environments and stochastic interactions. Our comprehensive evaluation reveals that even the most advanced models achieve only 30% success rate on cross-scenario tasks, and less than 50% success rate on others. Overall, we believe VitaBench will serve as a valuable resource for advancing the development of AI agents in practical real-world applications. The code, dataset, and leaderboard are available at https://vitabench.github.io/

We present a novel approach to formalise and solve search-based problems using large language models, which significantly improves upon previous state-of-the-art results. We demonstrate the efficacy of this approach on the logic puzzles benchmark ZebraLogicBench. Instead of letting the LLM attempt to directly solve the puzzles, our method prompts the model to formalise the problem in a logic-focused domain-specific language (DSL) called Logic.py. This formalised representation is then solved using a constraint solver, leveraging the strengths of both the language model and the solver. Our approach achieves a remarkable 65% absolute improvement over the baseline performance of Llama 3.1 70B on ZebraLogicBench, setting a new state-of-the-art with an accuracy of over 90%. This significant advancement demonstrates the potential of combining language models with domain-specific languages and auxiliary tools on traditionally challenging tasks for LLMs.

In the rapidly advancing field of artificial intelligence, software development has emerged as a key area of innovation. Despite the plethora of general-purpose AI assistants available, their effectiveness diminishes in complex, domain-specific scenarios. Noting this limitation, both the academic community and industry players are relying on contextualized coding AI assistants. These assistants surpass general-purpose AI tools by integrating proprietary, domain-specific knowledge, offering precise and relevant solutions. Our study focuses on the initial experiences of 62 participants who used a contextualized coding AI assistant -- named StackSpot AI -- in a controlled setting. According to the participants, the assistants' use resulted in significant time savings, easier access to documentation, and the generation of accurate codes for internal APIs. However, challenges associated with the knowledge sources necessary to make the coding assistant access more contextual information as well as variable responses and limitations in handling complex codes were observed. The study's findings, detailing both the benefits and challenges of contextualized AI assistants, underscore their potential to revolutionize software development practices, while also highlighting areas for further refinement.

Sparse autoencoders (SAEs) have emerged as a powerful technique for extracting human-interpretable features from neural networks activations. Previous works compared different models based on SAE-derived features but those comparisons have been restricted to models within the same modality. We propose a novel indicator allowing quantitative comparison of models across SAE features, and use it to conduct a comparative study of visual, textual and multimodal encoders. We also propose to quantify the Comparative Sharedness of individual features between different classes of models. With these two new tools, we conduct several studies on 21 encoders of the three types, with two significantly different sizes, and considering generalist and domain specific datasets. The results allow to revisit previous studies at the light of encoders trained in a multimodal context and to quantify to which extent all these models share some representations or features. They also suggest that visual features that are specific to VLMs among vision encoders are shared with text encoders, highlighting the impact of text pretraining. The code is available at https://github.com/CEA-LIST/SAEshareConcepts

The rapid advancement of perovskite solar cells (PSCs) has led to an exponential growth in research publications, creating an urgent need for efficient knowledge management and reasoning systems in this domain. We present a comprehensive knowledge-enhanced system for PSCs that integrates three key components. First, we develop Perovskite-KG, a domain-specific knowledge graph constructed from 1,517 research papers, containing 23,789 entities and 22,272 relationships. Second, we create two complementary datasets: Perovskite-Chat, comprising 55,101 high-quality question-answer pairs generated through a novel multi-agent framework, and Perovskite-Reasoning, containing 2,217 carefully curated materials science problems. Third, we introduce two specialized large language models: Perovskite-Chat-LLM for domain-specific knowledge assistance and Perovskite-Reasoning-LLM for scientific reasoning tasks. Experimental results demonstrate that our system significantly outperforms existing models in both domain-specific knowledge retrieval and scientific reasoning tasks, providing researchers with effective tools for literature review, experimental design, and complex problem-solving in PSC research.

Recent advancements in function calling and tool use have significantly enhanced the capabilities of large language models (LLMs) by enabling them to interact with external information sources and execute complex tasks. However, the limited context window of LLMs presents challenges when a large number of tools are available, necessitating efficient methods to manage prompt length and maintain accuracy. Existing approaches, such as fine-tuning LLMs or leveraging their reasoning capabilities, either require frequent retraining or incur significant latency overhead. A more efficient solution involves training smaller models to retrieve the most relevant tools for a given query, although this requires high quality, domain-specific data. To address those challenges, we present a novel framework for generating synthetic data for tool retrieval applications and an efficient data-driven tool retrieval strategy using small encoder models. Empowered by LLMs, we create ToolBank, a new tool retrieval dataset that reflects real human user usages. For tool retrieval methodologies, we propose novel approaches: (1) Tool2Vec: usage-driven tool embedding generation for tool retrieval, (2) ToolRefiner: a staged retrieval method that iteratively improves the quality of retrieved tools, and (3) MLC: framing tool retrieval as a multi-label classification problem. With these new methods, we achieve improvements of up to 27.28 in Recall@K on the ToolBench dataset and 30.5 in Recall@K on ToolBank. Additionally, we present further experimental results to rigorously validate our methods. Our code is available at https://github.com/SqueezeAILab/Tool2Vec

Complex information needs in real-world search scenarios demand deep reasoning and knowledge synthesis across diverse sources, which traditional retrieval-augmented generation (RAG) pipelines struggle to address effectively. Current reasoning-based approaches suffer from a fundamental limitation: they use a single model to handle both high-level planning and detailed execution, leading to inefficient reasoning and limited scalability. In this paper, we introduce HiRA, a hierarchical framework that separates strategic planning from specialized execution. Our approach decomposes complex search tasks into focused subtasks, assigns each subtask to domain-specific agents equipped with external tools and reasoning capabilities, and coordinates the results through a structured integration mechanism. This separation prevents execution details from disrupting high-level reasoning while enabling the system to leverage specialized expertise for different types of information processing. Experiments on four complex, cross-modal deep search benchmarks demonstrate that HiRA significantly outperforms state-of-the-art RAG and agent-based systems. Our results show improvements in both answer quality and system efficiency, highlighting the effectiveness of decoupled planning and execution for multi-step information seeking tasks. Our code is available at https://github.com/ignorejjj/HiRA.

Large language models (LLMs) mark a key shift in natural language processing (NLP), having advanced text generation, translation, and domain-specific reasoning. Closed-source models like GPT-4, powered by proprietary datasets and extensive computational resources, lead with state-of-the-art performance today. However, they face criticism for their "black box" nature and for limiting accessibility in a manner that hinders reproducibility and equitable AI development. By contrast, open-source initiatives like LLaMA and BLOOM prioritize democratization through community-driven development and computational efficiency. These models have significantly reduced performance gaps, particularly in linguistic diversity and domain-specific applications, while providing accessible tools for global researchers and developers. Notably, both paradigms rely on foundational architectural innovations, such as the Transformer framework by Vaswani et al. (2017). Closed-source models excel by scaling effectively, while open-source models adapt to real-world applications in underrepresented languages and domains. Techniques like Low-Rank Adaptation (LoRA) and instruction-tuning datasets enable open-source models to achieve competitive results despite limited resources. To be sure, the tension between closed-source and open-source approaches underscores a broader debate on transparency versus proprietary control in AI. Ethical considerations further highlight this divide. Closed-source systems restrict external scrutiny, while open-source models promote reproducibility and collaboration but lack standardized auditing documentation frameworks to mitigate biases. Hybrid approaches that leverage the strengths of both paradigms are likely to shape the future of LLM innovation, ensuring accessibility, competitive technical performance, and ethical deployment.

The deployment of agent systems in an enterprise environment is often hindered by several challenges: common models lack domain-specific process knowledge, leading to disorganized plans, missing key tools, and poor execution stability. To address this, this paper introduces Routine, a multi-step agent planning framework designed with a clear structure, explicit instructions, and seamless parameter passing to guide the agent's execution module in performing multi-step tool-calling tasks with high stability. In evaluations conducted within a real-world enterprise scenario, Routine significantly increases the execution accuracy in model tool calls, increasing the performance of GPT-4o from 41.1% to 96.3%, and Qwen3-14B from 32.6% to 83.3%. We further constructed a Routine-following training dataset and fine-tuned Qwen3-14B, resulting in an accuracy increase to 88.2% on scenario-specific evaluations, indicating improved adherence to execution plans. In addition, we employed Routine-based distillation to create a scenario-specific, multi-step tool-calling dataset. Fine-tuning on this distilled dataset raised the model's accuracy to 95.5%, approaching GPT-4o's performance. These results highlight Routine's effectiveness in distilling domain-specific tool-usage patterns and enhancing model adaptability to new scenarios. Our experimental results demonstrate that Routine provides a practical and accessible approach to building stable agent workflows, accelerating the deployment and adoption of agent systems in enterprise environments, and advancing the technical vision of AI for Process.

Despite having powerful reasoning and inference capabilities, Large Language Models (LLMs) still need external tools to acquire real-time information retrieval or domain-specific expertise to solve complex tasks, which is referred to as tool learning. Existing tool learning methods primarily rely on tuning with expert trajectories, focusing on token-sequence learning from a linguistic perspective. However, there are several challenges: 1) imitating static trajectories limits their ability to generalize to new tasks. 2) even expert trajectories can be suboptimal, and better solution paths may exist. In this work, we introduce StepTool, a novel step-grained reinforcement learning framework to improve tool learning in LLMs. It consists of two components: Step-grained Reward Shaping, which assigns rewards at each tool interaction based on tool invocation success and its contribution to the task, and Step-grained Optimization, which uses policy gradient methods to optimize the model in a multi-step manner. Experimental results demonstrate that StepTool significantly outperforms existing methods in multi-step, tool-based tasks, providing a robust solution for complex task environments. Codes are available at https://github.com/yuyq18/StepTool.

Rare diseases collectively affect over 300 million individuals worldwide, yet timely and accurate diagnosis remains a pervasive challenge. This is largely due to their clinical heterogeneity, low individual prevalence, and the limited familiarity most clinicians have with rare conditions. Here, we introduce DeepRare, the first rare disease diagnosis agentic system powered by a large language model (LLM), capable of processing heterogeneous clinical inputs. The system generates ranked diagnostic hypotheses for rare diseases, each accompanied by a transparent chain of reasoning that links intermediate analytic steps to verifiable medical evidence. DeepRare comprises three key components: a central host with a long-term memory module; specialized agent servers responsible for domain-specific analytical tasks integrating over 40 specialized tools and web-scale, up-to-date medical knowledge sources, ensuring access to the most current clinical information. This modular and scalable design enables complex diagnostic reasoning while maintaining traceability and adaptability. We evaluate DeepRare on eight datasets. The system demonstrates exceptional diagnostic performance among 2,919 diseases, achieving 100% accuracy for 1013 diseases. In HPO-based evaluations, DeepRare significantly outperforms other 15 methods, like traditional bioinformatics diagnostic tools, LLMs, and other agentic systems, achieving an average Recall@1 score of 57.18% and surpassing the second-best method (Reasoning LLM) by a substantial margin of 23.79 percentage points. For multi-modal input scenarios, DeepRare achieves 70.60% at Recall@1 compared to Exomiser's 53.20% in 109 cases. Manual verification of reasoning chains by clinical experts achieves 95.40% agreements. Furthermore, the DeepRare system has been implemented as a user-friendly web application http://raredx.cn/doctor.

The proliferation of LLM-based agents has led to increasing deployment of inter-agent collaboration for tasks like scheduling, negotiation, resource allocation etc. In such systems, privacy is critical, as agents often access proprietary tools and domain-specific databases requiring strict confidentiality. This paper examines whether LLM-based agents demonstrate an understanding of contextual privacy. And, if instructed, do these systems preserve inference time user privacy in non-adversarial multi-turn conversation. Existing benchmarks to evaluate contextual privacy in LLM-agents primarily assess single-turn, low-complexity tasks where private information can be easily excluded. We first present a benchmark - MAGPIE comprising 158 real-life high-stakes scenarios across 15 domains. These scenarios are designed such that complete exclusion of private data impedes task completion yet unrestricted information sharing could lead to substantial losses. We then evaluate the current state-of-the-art LLMs on (a) their understanding of contextually private data and (b) their ability to collaborate without violating user privacy. Empirical experiments demonstrate that current models, including GPT-4o and Claude-2.7-Sonnet, lack robust understanding of contextual privacy, misclassifying private data as shareable 25.2\% and 43.6\% of the time. In multi-turn conversations, these models disclose private information in 59.9\% and 50.5\% of cases even under explicit privacy instructions. Furthermore, multi-agent systems fail to complete tasks in 71\% of scenarios. These results underscore that current models are not aligned towards both contextual privacy preservation and collaborative task-solving.

Large language models (LLMs) have recently shown tremendous promise in serving as the backbone to agentic systems, as demonstrated by their performance in multi-faceted, challenging benchmarks like SWE-Bench and Agent-Bench. However, to realize the true potential of LLMs as autonomous agents, they must learn to identify, call, and interact with external tools and application program interfaces (APIs) to complete complex tasks. These tasks together are termed function calling. Endowing LLMs with function calling abilities leads to a myriad of advantages, such as access to current and domain-specific information in databases and knowledge sources, and the ability to outsource tasks that can be reliably performed by tools, e.g., a Python interpreter or calculator. While there has been significant progress in function calling with LLMs, there is still a dearth of open models that perform on par with proprietary LLMs like GPT, Claude, and Gemini. Therefore, in this work, we introduce the GRANITE-20B-FUNCTIONCALLING model under an Apache 2.0 license. The model is trained using a multi-task training approach on seven fundamental tasks encompassed in function calling, those being Nested Function Calling, Function Chaining, Parallel Functions, Function Name Detection, Parameter-Value Pair Detection, Next-Best Function, and Response Generation. We present a comprehensive evaluation on multiple out-of-domain datasets comparing GRANITE-20B-FUNCTIONCALLING to more than 15 other best proprietary and open models. GRANITE-20B-FUNCTIONCALLING provides the best performance among all open models on the Berkeley Function Calling Leaderboard and fourth overall. As a result of the diverse tasks and datasets used for training our model, we show that GRANITE-20B-FUNCTIONCALLING has better generalizability on multiple tasks in seven different evaluation datasets.

With the rapid development of diffusion models, text-to-image(T2I) models have made significant progress, showcasing impressive abilities in prompt following and image generation. Recently launched models such as FLUX.1 and Ideogram2.0, along with others like Dall-E3 and Stable Diffusion 3, have demonstrated exceptional performance across various complex tasks, raising questions about whether T2I models are moving towards general-purpose applicability. Beyond traditional image generation, these models exhibit capabilities across a range of fields, including controllable generation, image editing, video, audio, 3D, and motion generation, as well as computer vision tasks like semantic segmentation and depth estimation. However, current evaluation frameworks are insufficient to comprehensively assess these models' performance across expanding domains. To thoroughly evaluate these models, we developed the IMAGINE-E and tested six prominent models: FLUX.1, Ideogram2.0, Midjourney, Dall-E3, Stable Diffusion 3, and Jimeng. Our evaluation is divided into five key domains: structured output generation, realism, and physical consistency, specific domain generation, challenging scenario generation, and multi-style creation tasks. This comprehensive assessment highlights each model's strengths and limitations, particularly the outstanding performance of FLUX.1 and Ideogram2.0 in structured and specific domain tasks, underscoring the expanding applications and potential of T2I models as foundational AI tools. This study provides valuable insights into the current state and future trajectory of T2I models as they evolve towards general-purpose usability. Evaluation scripts will be released at https://github.com/jylei16/Imagine-e.

Leading vision-language models (VLMs) are trained on general Internet content, overlooking scientific journals' rich, domain-specific knowledge. Training on specialty-specific literature could yield high-performance, task-specific tools, enabling generative AI to match generalist models in specialty publishing, educational, and clinical tasks. We created NeuroPubs, a multimodal dataset of 23,000 Neurosurgery Publications articles (134M words, 78K image-caption pairs). Using NeuroPubs, VLMs generated publication-ready graphical abstracts (70% of 100 abstracts) and board-style questions indistinguishable from human-written ones (54% of 89,587 questions). We used these questions to train CNS-Obsidian, a 34B-parameter VLM. In a blinded, randomized controlled trial, our model demonstrated non-inferiority to then state-of-the-art GPT-4o in neurosurgical differential diagnosis (clinical utility, 40.62% upvotes vs. 57.89%, p=0.1150; accuracy, 59.38% vs. 65.79%, p=0.3797). Our pilot study demonstrates how training generative AI models on specialty-specific journal content - without large-scale internet data - results in high-performance academic and clinical tools, enabling domain-tailored AI across diverse fields.

To achieve faithful reasoning that aligns with human expectations, large language models (LLMs) need to ground their reasoning to real-world knowledge (e.g., web facts, math and physical rules). Tools help LLMs access this external knowledge, but there remains challenges for fine-tuning LLM agents (e.g., Toolformer) to invoke tools in multi-step reasoning problems, where inter-connected tool calls require holistic and efficient tool usage planning. In this work, we propose a new method for LLMs to better leverage tools in multi-step reasoning. Our method, Chain-of-Abstraction (CoA), trains LLMs to first decode reasoning chains with abstract placeholders, and then call domain tools to reify each reasoning chain by filling in specific knowledge. This planning with abstract chains enables LLMs to learn more general reasoning strategies, which are robust to shifts of domain knowledge (e.g., math results) relevant to different reasoning questions. It also allows LLMs to perform decoding and calling of external tools in parallel, which avoids the inference delay caused by waiting for tool responses. In mathematical reasoning and Wiki QA domains, we show that our method consistently outperforms previous chain-of-thought and tool-augmented baselines on both in-distribution and out-of-distribution test sets, with an average ~6% absolute QA accuracy improvement. LLM agents trained with our method also show more efficient tool use, with inference speed being on average ~1.4x faster than baseline tool-augmented LLMs.

Large Language Model (LLM)-based multi-agent systems show promise for automating real-world tasks but struggle to transfer across domains due to their domain-specific nature. Current approaches face two critical shortcomings: they require complete architectural redesign and full retraining of all components when applied to new domains. We introduce Workforce, a hierarchical multi-agent framework that decouples strategic planning from specialized execution through a modular architecture comprising: (i) a domain-agnostic Planner for task decomposition, (ii) a Coordinator for subtask management, and (iii) specialized Workers with domain-specific tool-calling capabilities. This decoupling enables cross-domain transferability during both inference and training phases: During inference, Workforce seamlessly adapts to new domains by adding or modifying worker agents; For training, we introduce Optimized Workforce Learning (OWL), which improves generalization across domains by optimizing a domain-agnostic planner with reinforcement learning from real-world feedback. To validate our approach, we evaluate Workforce on the GAIA benchmark, covering various realistic, multi-domain agentic tasks. Experimental results demonstrate Workforce achieves open-source state-of-the-art performance (69.70%), outperforming commercial systems like OpenAI's Deep Research by 2.34%. More notably, our OWL-trained 32B model achieves 52.73% accuracy (+16.37%) and demonstrates performance comparable to GPT-4o on challenging tasks. To summarize, by enabling scalable generalization and modular domain transfer, our work establishes a foundation for the next generation of general-purpose AI assistants.

Large Language Models (LLMs) have demonstrated the potential to address some issues within the semiconductor industry. However, they are often general-purpose models that lack the specialized knowledge needed to tackle the unique challenges of this sector, such as the intricate physics and chemistry of semiconductor devices and processes. SemiKong, the first industry-specific LLM for the semiconductor domain, provides a foundation that can be used to develop tailored proprietary models. With SemiKong 1.0, we aim to develop a foundational model capable of understanding etching problems at an expert level. Our key contributions include (a) curating a comprehensive corpus of semiconductor-related texts, (b) creating a foundational model with in-depth semiconductor knowledge, and (c) introducing a framework for integrating expert knowledge, thereby advancing the evaluation process of domain-specific AI models. Through fine-tuning a pre-trained LLM using our curated dataset, we have shown that SemiKong outperforms larger, general-purpose LLMs in various semiconductor manufacturing and design tasks. Our extensive experiments underscore the importance of developing domain-specific LLMs as a foundation for company- or tool-specific proprietary models, paving the way for further research and applications in the semiconductor domain. Code and dataset will be available at https://github.com/aitomatic/semikong

Tool learning aims to enhance and expand large language models' (LLMs) capabilities with external tools, which has gained significant attention recently. Current methods have shown that LLMs can effectively handle a certain amount of tools through in-context learning or fine-tuning. However, in real-world scenarios, the number of tools is typically extensive and irregularly updated, emphasizing the necessity for a dedicated tool retrieval component. Tool retrieval is nontrivial due to the following challenges: 1) complex user instructions and tool descriptions; 2) misalignment between tool retrieval and tool usage models. To address the above issues, we propose to enhance tool retrieval with iterative feedback from the large language model. Specifically, we prompt the tool usage model, i.e., the LLM, to provide feedback for the tool retriever model in multi-round, which could progressively improve the tool retriever's understanding of instructions and tools and reduce the gap between the two standalone components. We build a unified and comprehensive benchmark to evaluate tool retrieval models. The extensive experiments indicate that our proposed approach achieves advanced performance in both in-domain evaluation and out-of-domain evaluation.

Access to Kurdish medicine brochures is limited, depriving Kurdish-speaking communities of critical health information. To address this problem, we developed a specialized Machine Translation (MT) model to translate English medicine brochures into Sorani Kurdish using a parallel corpus of 22,940 aligned sentence pairs from 319 brochures, sourced from two pharmaceutical companies in the Kurdistan Region of Iraq (KRI). We trained a Statistical Machine Translation (SMT) model using the Moses toolkit, conducting seven experiments that resulted in BLEU scores ranging from 22.65 to 48.93. We translated three new brochures to improve the evaluation process and encountered unknown words. We addressed unknown words through post-processing with a medical dictionary, resulting in BLEU scores of 56.87, 31.05, and 40.01. Human evaluation by native Kurdish-speaking pharmacists, physicians, and medicine users showed that 50% of professionals found the translations consistent, while 83.3% rated them accurate. Among users, 66.7% considered the translations clear and felt confident using the medications.

This paper presents a study on the feasibility of using large language models (LLM) for coding with low-resource and domain-specific programming languages that typically lack the amount of data required for effective LLM processing techniques. This study focuses on the econometric scripting language named hansl of the open-source software gretl and employs a proprietary LLM based on GPT-3.5. Our findings suggest that LLMs can be a useful tool for writing, understanding, improving, and documenting gretl code, which includes generating descriptive docstrings for functions and providing precise explanations for abstract and poorly documented econometric code. While the LLM showcased promoting docstring-to-code translation capability, we also identify some limitations, such as its inability to improve certain sections of code and to write accurate unit tests. This study is a step towards leveraging the power of LLMs to facilitate software development in low-resource programming languages and ultimately to lower barriers to entry for their adoption.

Large pre-trained neural language models have brought immense progress to both NLP and software engineering. Models in OpenAI's GPT series now dwarf Google's BERT and Meta's RoBERTa, which previously set new benchmarks on a wide range of NLP applications. These models are trained on massive corpora of heterogeneous data from web crawls, which enables them to learn general language patterns and semantic relationships. However, the largest models are both expensive to train and deploy and are often closed-source, so we lack access to their data and design decisions. We argue that this trend towards large, general-purpose models should be complemented with single-purpose, more modestly sized pre-trained models. In this work, we take StackOverflow (SO) as a domain example in which large volumes of rich aligned code and text data is available. We adopt standard practices for pre-training large language models, including using a very large context size (2,048 tokens), batch size (0.5M tokens) and training set (27B tokens), coupled with a powerful toolkit (Megatron-LM), to train two models: SOBertBase, with 109M parameters, and SOBertLarge with 762M parameters, at a budget of just 187 and \800 each. We compare the performance of our models with both the previous SOTA model trained on SO data exclusively as well general-purpose BERT models and OpenAI's ChatGPT on four SO-specific downstream tasks - question quality prediction, closed question prediction, named entity recognition and obsoletion prediction (a new task we introduce). Not only do our models consistently outperform all baselines, the smaller model is often sufficient for strong results. Both models are released to the public. These results demonstrate that pre-training both extensively and properly on in-domain data can yield a powerful and affordable alternative to leveraging closed-source general-purpose models.

REST APIs play important roles in enriching the action space of web agents, yet most API-based agents rely on curated and uniform toolsets that do not reflect the complexity of real-world APIs. Building tool-using agents for arbitrary domains remains a major challenge, as it requires reading unstructured API documentation, testing APIs and inferring correct parameters. We propose Doc2Agent, a scalable pipeline to build agents that can call Python-based tools generated from API documentation. Doc2Agent generates executable tools from API documentations and iteratively refines them using a code agent. We evaluate our approach on real-world APIs, WebArena APIs, and research APIs, producing validated tools. We achieved a 55\% relative performance improvement with 90\% lower cost compared to direct API calling on WebArena benchmark. A domain-specific agent built for glycomaterial science further demonstrates the pipeline's adaptability to complex, knowledge-rich tasks. Doc2Agent offers a generalizable solution for building tool agents from unstructured API documentation at scale.

TerraTorch is a fine-tuning and benchmarking toolkit for Geospatial Foundation Models built on PyTorch Lightning and tailored for satellite, weather, and climate data. It integrates domain-specific data modules, pre-defined tasks, and a modular model factory that pairs any backbone with diverse decoder heads. These components allow researchers and practitioners to fine-tune supported models in a no-code fashion by simply editing a training configuration. By consolidating best practices for model development and incorporating the automated hyperparameter optimization extension Iterate, TerraTorch reduces the expertise and time required to fine-tune or benchmark models on new Earth Observation use cases. Furthermore, TerraTorch directly integrates with GEO-Bench, allowing for systematic and reproducible benchmarking of Geospatial Foundation Models. TerraTorch is open sourced under Apache 2.0, available at https://github.com/IBM/terratorch, and can be installed via pip install terratorch.

Retrieval augmented generation (RAG) enhances the accuracy and reliability of generative AI models by sourcing factual information from external databases, which is extensively employed in document-grounded question-answering (QA) tasks. Off-the-shelf RAG flows are well pretrained on general-purpose documents, yet they encounter significant challenges when being applied to knowledge-intensive vertical domains, such as electronic design automation (EDA). This paper addresses such issue by proposing a customized RAG framework along with three domain-specific techniques for EDA tool documentation QA, including a contrastive learning scheme for text embedding model fine-tuning, a reranker distilled from proprietary LLM, and a generative LLM fine-tuned with high-quality domain corpus. Furthermore, we have developed and released a documentation QA evaluation benchmark, ORD-QA, for OpenROAD, an advanced RTL-to-GDSII design platform. Experimental results demonstrate that our proposed RAG flow and techniques have achieved superior performance on ORD-QA as well as on a commercial tool, compared with state-of-the-arts. The ORD-QA benchmark and the training dataset for our customized RAG flow are open-source at https://github.com/lesliepy99/RAG-EDA.

Designing and optimizing task-specific quantum circuits are crucial to leverage the advantage of quantum computing. Recent large language model (LLM)-based quantum circuit generation has emerged as a promising automatic solution. However, the fundamental challenges remain unaddressed: (i) parameterized quantum gates require precise numerical values for optimal performance, which also depend on multiple aspects, including the number of quantum gates, their parameters, and the layout/depth of the circuits. (ii) LLMs often generate low-quality or incorrect quantum circuits due to the lack of quantum domain-specific knowledge. We propose QUASAR, an agentic reinforcement learning (RL) framework for quantum circuits generation and optimization based on tool-augmented LLMs. To align the LLM with quantum-specific knowledge and improve the generated quantum circuits, QUASAR designs (i) a quantum circuit verification approach with external quantum simulators and (ii) a sophisticated hierarchical reward mechanism in RL training. Extensive evaluation shows improvements in both syntax and semantic performance of the generated quantum circuits. When augmenting a 4B LLM, QUASAR has achieved the validity of 99.31% in Pass@1 and 100% in Pass@10, outperforming industrial LLMs of GPT-4o, GPT-5 and DeepSeek-V3 and several supervised-fine-tuning (SFT)-only and RL-only baselines.

As large language models (LLMs) increasingly interact with external tools, reward modeling for tool use has become a critical yet underexplored area. Existing reward models, trained primarily on natural language outputs, struggle to evaluate tool-based reasoning and execution. To quantify this gap, we introduce FC-RewardBench, the first benchmark designed to systematically assess reward models' performance in tool-calling scenarios. Our analysis shows that current reward models often miss key signals of effective tool use, highlighting the need for domain-specific modeling. To address this, we propose a training framework for outcome-based reward models using data synthesized from permissively licensed, open-weight LLMs. We train models ranging from 1.7B to 14B parameters and evaluate them across seven out-of-domain benchmarks. These models consistently outperform general-purpose baselines, achieving up to 25\% average improvement in downstream task performance and enabling data-efficient fine-tuning through reward-guided filtering.

Large-scale language models (LLMs) have achieved remarkable success across various language tasks but suffer from hallucinations and temporal misalignment. To mitigate these shortcomings, Retrieval-augmented generation (RAG) has been utilized to provide external knowledge to facilitate the answer generation. However, applying such models to the medical domain faces several challenges due to the lack of domain-specific knowledge and the intricacy of real-world scenarios. In this study, we explore LLMs with RAG framework for knowledge-intensive tasks in the medical field. To evaluate the capabilities of LLMs, we introduce MedicineQA, a multi-round dialogue benchmark that simulates the real-world medication consultation scenario and requires LLMs to answer with retrieved evidence from the medicine database. MedicineQA contains 300 multi-round question-answering pairs, each embedded within a detailed dialogue history, highlighting the challenge posed by this knowledge-intensive task to current LLMs. We further propose a new Distill-Retrieve-Read framework instead of the previous Retrieve-then-Read. Specifically, the distillation and retrieval process utilizes a tool calling mechanism to formulate search queries that emulate the keyword-based inquiries used by search engines. With experimental results, we show that our framework brings notable performance improvements and surpasses the previous counterparts in the evidence retrieval process in terms of evidence retrieval accuracy. This advancement sheds light on applying RAG to the medical domain.

Through multi-agent competition, the simple objective of hide-and-seek, and standard reinforcement learning algorithms at scale, we find that agents create a self-supervised autocurriculum inducing multiple distinct rounds of emergent strategy, many of which require sophisticated tool use and coordination. We find clear evidence of six emergent phases in agent strategy in our environment, each of which creates a new pressure for the opposing team to adapt; for instance, agents learn to build multi-object shelters using moveable boxes which in turn leads to agents discovering that they can overcome obstacles using ramps. We further provide evidence that multi-agent competition may scale better with increasing environment complexity and leads to behavior that centers around far more human-relevant skills than other self-supervised reinforcement learning methods such as intrinsic motivation. Finally, we propose transfer and fine-tuning as a way to quantitatively evaluate targeted capabilities, and we compare hide-and-seek agents to both intrinsic motivation and random initialization baselines in a suite of domain-specific intelligence tests.

Recent advances in reasoning and planning capabilities of large language models (LLMs) have enabled their potential as autonomous agents capable of tool use in dynamic environments. However, in multi-turn conversational environments like tau-bench, these agents often struggle with consistent reasoning, adherence to domain-specific policies, and extracting correct information over a long horizon of tool-calls and conversation. To capture and mitigate these failures, we conduct a comprehensive manual analysis of the common errors occurring in the conversation trajectories. We then experiment with reformulations of inputs to the tool-calling agent for improvement in agent decision making. Finally, we propose the Input-Reformulation Multi-Agent (IRMA) framework, which automatically reformulates user queries augmented with relevant domain rules and tool suggestions for the tool-calling agent to focus on. The results show that IRMA significantly outperforms ReAct, Function Calling, and Self-Reflection by 16.1%, 12.7%, and 19.1%, respectively, in overall pass^5 scores. These findings highlight the superior reliability and consistency of IRMA compared to other methods in dynamic environments.

Graph Neural Architecture Search (GNAS) facilitates the automatic design of Graph Neural Networks (GNNs) tailored to specific downstream graph learning tasks. However, existing GNAS approaches often require manual adaptation to new graph search spaces, necessitating substantial code optimization and domain-specific knowledge. To address this challenge, we present LLM4GNAS, a toolkit for GNAS that leverages the generative capabilities of Large Language Models (LLMs). LLM4GNAS includes an algorithm library for graph neural architecture search algorithms based on LLMs, enabling the adaptation of GNAS methods to new search spaces through the modification of LLM prompts. This approach reduces the need for manual intervention in algorithm adaptation and code modification. The LLM4GNAS toolkit is extensible and robust, incorporating LLM-enhanced graph feature engineering, LLM-enhanced graph neural architecture search, and LLM-enhanced hyperparameter optimization. Experimental results indicate that LLM4GNAS outperforms existing GNAS methods on tasks involving both homogeneous and heterogeneous graphs.

Tools enhance the reasoning capabilities of large language models (LLMs) in complex problem-solving tasks, but not all tasks have available tools. In the absence of predefined tools, prior works have explored instructing LLMs to generate tools on their own. However, such approaches rely heavily on the models' internal knowledge and would fail in domains beyond the LLMs' knowledge scope. To address this limitation, we propose RefTool, a reference-guided framework for automatic tool creation that leverages structured external materials such as textbooks. RefTool consists of two modules: (1) tool creation, where LLMs generate executable tools from reference content, validate them using illustrative examples, and organize them hierarchically into a toolbox; and (2) tool utilization, where LLMs navigate the toolbox structure to select and apply the appropriate tools to solve problems. Experiments on causality, physics, and chemistry benchmarks demonstrate that RefTool outperforms existing tool-creation and domain-specific reasoning methods by 11.3% on average accuracy, while being cost-efficient and broadly generalizable. Analyses reveal that grounding tool creation in references produces accurate and faithful tools, and that the hierarchical structure facilitates effective tool selection. RefTool enables LLMs to overcome knowledge limitations, demonstrating the value of grounding tool creation in external references for enhanced and generalizable reasoning.

Large Language Models (LLMs) with API-calling capabilities enabled building effective Language Agents (LA), while also revolutionizing the conventional task-oriented dialogue (TOD) paradigm. However, current approaches face a critical dilemma: TOD systems are often trained on a limited set of target APIs, requiring new data to maintain their quality when interfacing with new services, while LAs are not trained to maintain user intent over multi-turn conversations. Because both robust multi-turn management and advanced function calling are crucial for effective conversational agents, we evaluate these skills on three popular benchmarks: MultiWOZ 2.4 (TOD), BFCL V3 (LA), and API-Bank (LA), and our analyses reveal that specialized approaches excel in one domain but underperform in the other. To bridge this chasm, we introduce CALM (Conversational Agentic Language Model), a unified approach that integrates both conversational and agentic capabilities. We created CALM-IT, a carefully constructed multi-task dataset that interleave multi-turn ReAct reasoning with complex API usage. Using CALM-IT, we train three models CALM 8B, CALM 70B, and CALM 405B, which outperform top domain-specific models, including GPT-4o, across all three benchmarks.

AstronomicAL is a human-in-the-loop interactive labelling and training dashboard that allows users to create reliable datasets and robust classifiers using active learning. This technique prioritises data that offer high information gain, leading to improved performance using substantially less data. The system allows users to visualise and integrate data from different sources and deal with incorrect or missing labels and imbalanced class sizes. AstronomicAL enables experts to visualise domain-specific plots and key information relating both to broader context and details of a point of interest drawn from a variety of data sources, ensuring reliable labels. In addition, AstronomicAL provides functionality to explore all aspects of the training process, including custom models and query strategies. This makes the software a tool for experimenting with both domain-specific classifications and more general-purpose machine learning strategies. We illustrate using the system with an astronomical dataset due to the field's immediate need; however, AstronomicAL has been designed for datasets from any discipline. Finally, by exporting a simple configuration file, entire layouts, models, and assigned labels can be shared with the community. This allows for complete transparency and ensures that the process of reproducing results is effortless

Recent developments in Large Language Model (LLM)-based agents have shown impressive capabilities spanning multiple domains, exemplified by deep research systems that demonstrate superior performance on complex information-seeking and synthesis tasks. While general-purpose deep research agents have shown impressive capabilities, they struggle significantly with medical domain challenges, as evidenced by leading proprietary systems achieving limited accuracy on complex medical benchmarks. The key limitations are: (1) the model lacks sufficient dense medical knowledge for clinical reasoning, and (2) the framework is constrained by the absence of specialized retrieval tools tailored for medical contexts.We present a medical deep research agent that addresses these challenges through two core innovations. First, we develop a novel data synthesis framework using medical knowledge graphs, extracting the longest chains from subgraphs around rare medical entities to generate complex multi-hop question-answer pairs. Second, we integrate a custom-built private medical retrieval engine alongside general-purpose tools, enabling accurate medical information synthesis. Our approach generates 2100+ diverse trajectories across 12 medical specialties, each averaging 4.2 tool interactions.Through a two-stage training paradigm combining supervised fine-tuning and online reinforcement learning with composite rewards, our MedResearcher-R1-32B model demonstrates exceptional performance, establishing new state-of-the-art results on medical benchmarks while maintaining competitive performance on general deep research tasks. Our work demonstrates that strategic domain-specific innovations in architecture, tool design, and training data construction can enable smaller open-source models to outperform much larger proprietary systems in specialized domains.

The VALERIE tool pipeline is a synthetic data generator developed with the goal to contribute to the understanding of domain-specific factors that influence perception performance of DNNs (deep neural networks). This work was carried out under the German research project KI Absicherung in order to develop a methodology for the validation of DNNs in the context of pedestrian detection in urban environments for automated driving. The VALERIE22 dataset was generated with the VALERIE procedural tools pipeline providing a photorealistic sensor simulation rendered from automatically synthesized scenes. The dataset provides a uniquely rich set of metadata, allowing extraction of specific scene and semantic features (like pixel-accurate occlusion rates, positions in the scene and distance + angle to the camera). This enables a multitude of possible tests on the data and we hope to stimulate research on understanding performance of DNNs. Based on performance metric a comparison with several other publicly available datasets is provided, demonstrating that VALERIE22 is one of best performing synthetic datasets currently available in the open domain.

EduChat (https://www.educhat.top/) is a large-scale language model (LLM)-based chatbot system in the education domain. Its goal is to support personalized, fair, and compassionate intelligent education, serving teachers, students, and parents. Guided by theories from psychology and education, it further strengthens educational functions such as open question answering, essay assessment, Socratic teaching, and emotional support based on the existing basic LLMs. Particularly, we learn domain-specific knowledge by pre-training on the educational corpus and stimulate various skills with tool use by fine-tuning on designed system prompts and instructions. Currently, EduChat is available online as an open-source project, with its code, data, and model parameters available on platforms (e.g., GitHub https://github.com/icalk-nlp/EduChat, Hugging Face https://huggingface.co/ecnu-icalk ). We also prepare a demonstration of its capabilities online (https://vimeo.com/851004454). This initiative aims to promote research and applications of LLMs for intelligent education.

LLM agents are an emerging form of AI systems where large language models (LLMs) serve as the central component, utilizing a diverse set of tools to complete user-assigned tasks. Despite their great potential, LLM agents pose significant security risks. When interacting with the external world, they may encounter malicious commands from attackers, leading to the execution of dangerous actions. A promising way to address this is by enforcing the principle of least privilege: allowing only essential actions for task completion while blocking unnecessary ones. However, achieving this is challenging, as it requires covering diverse agent scenarios while preserving both security and utility. We introduce Progent, the first privilege control mechanism for LLM agents. At its core is a domain-specific language for flexibly expressing privilege control policies applied during agent execution. These policies provide fine-grained constraints over tool calls, deciding when tool calls are permissible and specifying fallbacks if they are not. This enables agent developers and users to craft suitable policies for their specific use cases and enforce them deterministically to guarantee security. Thanks to its modular design, integrating Progent does not alter agent internals and requires only minimal changes to agent implementation, enhancing its practicality and potential for widespread adoption. To automate policy writing, we leverage LLMs to generate policies based on user queries, which are then updated dynamically for improved security and utility. Our extensive evaluation shows that it enables strong security while preserving high utility across three distinct scenarios or benchmarks: AgentDojo, ASB, and AgentPoison. Furthermore, we perform an in-depth analysis, showcasing the effectiveness of its core components and the resilience of its automated policy generation against adaptive attacks.

Toxic conversations during software development interactions may have serious repercussions on a Free and Open Source Software (FOSS) development project. For example, victims of toxic conversations may become afraid to express themselves, therefore get demotivated, and may eventually leave the project. Automated filtering of toxic conversations may help a FOSS community to maintain healthy interactions among its members. However, off-the-shelf toxicity detectors perform poorly on Software Engineering (SE) datasets, such as one curated from code review comments. To encounter this challenge, we present ToxiCR, a supervised learning-based toxicity identification tool for code review interactions. ToxiCR includes a choice to select one of the ten supervised learning algorithms, an option to select text vectorization techniques, eight preprocessing steps, and a large-scale labeled dataset of 19,571 code review comments. Two out of those eight preprocessing steps are SE domain specific. With our rigorous evaluation of the models with various combinations of preprocessing steps and vectorization techniques, we have identified the best combination for our dataset that boosts 95.8% accuracy and 88.9% F1 score. ToxiCR significantly outperforms existing toxicity detectors on our dataset. We have released our dataset, pre-trained models, evaluation results, and source code publicly available at: https://github.com/WSU-SEAL/ToxiCR

Since the introduction of the Model Context Protocol (MCP), the number of available tools for Large Language Models (LLMs) has increased significantly. These task-specific tool sets offer an alternative to general-purpose tools such as web browsers, while being easier to develop and maintain than GUIs. However, current general-purpose agents predominantly rely on web browsers for interacting with the environment. Here, we introduce TheMCPCompany, a benchmark for evaluating tool-calling agents on tasks that involve interacting with various real-world services. We use the REST APIs of these services to create MCP servers, which include over 18,000 tools. We also provide manually annotated ground-truth tools for each task. In our experiments, we use the ground truth tools to show the potential of tool-calling agents for both improving performance and reducing costs assuming perfect tool retrieval. Next, we explore agent performance using tool retrieval to study the real-world practicality of tool-based agents. While all models with tool retrieval perform similarly or better than browser-based agents, smaller models cannot take full advantage of the available tools through retrieval. On the other hand, GPT-5's performance with tool retrieval is very close to its performance with ground-truth tools. Overall, our work shows that the most advanced reasoning models are effective at discovering tools in simpler environments, but seriously struggle with navigating complex enterprise environments. TheMCPCompany reveals that navigating tens of thousands of tools and combining them in non-trivial ways to solve complex problems is still a challenging task for current models and requires both better reasoning and better retrieval models.

Extracting structured information from unstructured text is crucial for modeling real-world processes, but traditional schema mining relies on semi-structured data, limiting scalability. This paper introduces schema-miner, a novel tool that combines large language models with human feedback to automate and refine schema extraction. Through an iterative workflow, it organizes properties from text, incorporates expert input, and integrates domain-specific ontologies for semantic depth. Applied to materials science--specifically atomic layer deposition--schema-miner demonstrates that expert-guided LLMs generate semantically rich schemas suitable for diverse real-world applications.

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based scientific agents that automate critical tasks, ranging from hypothesis generation and experiment design to data analysis and simulation. Unlike general-purpose LLMs, these specialized agents integrate domain-specific knowledge, advanced tool sets, and robust validation mechanisms, enabling them to handle complex data types, ensure reproducibility, and drive scientific breakthroughs. This survey provides a focused review of the architectures, design, benchmarks, applications, and ethical considerations surrounding LLM-based scientific agents. We highlight why they differ from general agents and the ways in which they advance research across various scientific fields. By examining their development and challenges, this survey offers a comprehensive roadmap for researchers and practitioners to harness these agents for more efficient, reliable, and ethically sound scientific discovery.

Recent advancements in Large Language Models (LLMs) have empowered LLM agents to autonomously collect world information, over which to conduct reasoning to solve complex problems. Given this capability, increasing interests have been put into employing LLM agents for predicting international events, which can influence decision-making and shape policy development on an international scale. Despite such a growing interest, there is a lack of a rigorous benchmark of LLM agents' forecasting capability and reliability. To address this gap, we introduce MIRAI, a novel benchmark designed to systematically evaluate LLM agents as temporal forecasters in the context of international events. Our benchmark features an agentic environment with tools for accessing an extensive database of historical, structured events and textual news articles. We refine the GDELT event database with careful cleaning and parsing to curate a series of relational prediction tasks with varying forecasting horizons, assessing LLM agents' abilities from short-term to long-term forecasting. We further implement APIs to enable LLM agents to utilize different tools via a code-based interface. In summary, MIRAI comprehensively evaluates the agents' capabilities in three dimensions: 1) autonomously source and integrate critical information from large global databases; 2) write codes using domain-specific APIs and libraries for tool-use; and 3) jointly reason over historical knowledge from diverse formats and time to accurately predict future events. Through comprehensive benchmarking, we aim to establish a reliable framework for assessing the capabilities of LLM agents in forecasting international events, thereby contributing to the development of more accurate and trustworthy models for international relation analysis.

In AI research, the optimization of Large Language Models (LLMs) remains a significant challenge, crucial for advancing the field's practical applications and sustainability. Building upon the foundational work of Professor Song Han's lab at MIT, this paper introduces a novel approach in developing Mini-GPTs via contextual pruning. Our methodology strategically prunes the computational architecture of traditional LLMs, like Phi-1.5, focusing on retaining core functionalities while drastically reducing model sizes. We employ the technique across diverse and complex datasets, including US law, Medical Q&A, Skyrim dialogue, English-Taiwanese translation, and Economics articles. The results underscore the efficiency and effectiveness of contextual pruning, not merely as a theoretical concept but as a practical tool in developing domain-specific, resource-efficient LLMs. Contextual pruning is a promising method for building domain-specific LLMs, and this research is a building block towards future development with more hardware compute, refined fine-tuning, and quantization.

In the field of urban planning, general-purpose large language models often struggle to meet the specific needs of planners. Tasks like generating urban planning texts, retrieving related information, and evaluating planning documents pose unique challenges. To enhance the efficiency of urban professionals and overcome these obstacles, we introduce PlanGPT, the first specialized Large Language Model tailored for urban and spatial planning. Developed through collaborative efforts with institutions like the Chinese Academy of Urban Planning, PlanGPT leverages a customized local database retrieval framework, domain-specific fine-tuning of base models, and advanced tooling capabilities. Empirical tests demonstrate that PlanGPT has achieved advanced performance, delivering responses of superior quality precisely tailored to the intricacies of urban planning.

Public research results on large-scale supervised finetuning of AI agents remain relatively rare, since the collection of agent training data presents unique challenges. In this work, we argue that the bottleneck is not a lack of underlying data sources, but that a large variety of data is fragmented across heterogeneous formats, tools, and interfaces. To this end, we introduce the agent data protocol (ADP), a light-weight representation language that serves as an "interlingua" between agent datasets in diverse formats and unified agent training pipelines downstream. The design of ADP is expressive enough to capture a large variety of tasks, including API/tool use, browsing, coding, software engineering, and general agentic workflows, while remaining simple to parse and train on without engineering at a per-dataset level. In experiments, we unified a broad collection of 13 existing agent training datasets into ADP format, and converted the standardized ADP data into training-ready formats for multiple agent frameworks. We performed SFT on these data, and demonstrated an average performance gain of ~20% over corresponding base models, and delivers state-of-the-art or near-SOTA performance on standard coding, browsing, tool use, and research benchmarks, without domain-specific tuning. All code and data are released publicly, in the hope that ADP could help lower the barrier to standardized, scalable, and reproducible agent training.

The impressive performance of ChatGPT and other foundation-model-based products in human language understanding has prompted both academia and industry to explore how these models can be tailored for specific industries and application scenarios. This process, known as the customization of domain-specific foundation models (FMs), addresses the limitations of general-purpose models, which may not fully capture the unique patterns and requirements of domain-specific data. Despite its importance, there is a notable lack of comprehensive overview papers on building domain-specific FMs, while numerous resources exist for general-purpose models. To bridge this gap, this article provides a timely and thorough overview of the methodology for customizing domain-specific FMs. It introduces basic concepts, outlines the general architecture, and surveys key methods for constructing domain-specific models. Furthermore, the article discusses various domains that can benefit from these specialized models and highlights the challenges ahead. Through this overview, we aim to offer valuable guidance and reference for researchers and practitioners from diverse fields to develop their own customized FMs.

Large Language Models (LLMs) have exhibited remarkable proficiency across a wide array of NLP tasks. However, the escalation in model size also engenders substantial deployment costs. While few efforts have explored model pruning techniques to reduce the size of LLMs, they mainly center on general or task-specific weights. This leads to suboptimal performance due to lacking specificity on the target domain or generality on different tasks when applied to domain-specific challenges. This work introduces an innovative unstructured dual-pruning methodology, D-Pruner, for domain-specific compression on LLM. It extracts a compressed, domain-specific, and task-agnostic LLM by identifying LLM weights that are pivotal for general capabilities, like linguistic capability and multi-task solving, and domain-specific knowledge. More specifically, we first assess general weight importance by quantifying the error incurred upon their removal with the help of an open-domain calibration dataset. Then, we utilize this general weight importance to refine the training loss, so that it preserves generality when fitting into a specific domain. Moreover, by efficiently approximating weight importance with the refined training loss on a domain-specific calibration dataset, we obtain a pruned model emphasizing generality and specificity. Our comprehensive experiments across various tasks in healthcare and legal domains show the effectiveness of D-Pruner in domain-specific compression. Our code is available at https://github.com/psunlpgroup/D-Pruner.

Large language models (LLMs) can now access a wide range of external tools, thanks to the Model Context Protocol (MCP). This greatly expands their abilities as various agents. However, LLMs rely entirely on the text descriptions of tools to decide which ones to use--a process that is surprisingly fragile. In this work, we expose a vulnerability in prevalent tool/function-calling protocols by investigating a series of edits to tool descriptions, some of which can drastically increase a tool's usage from LLMs when competing with alternatives. Through controlled experiments, we show that tools with properly edited descriptions receive over 10 times more usage from GPT-4.1 and Qwen2.5-7B than tools with original descriptions. We further evaluate how various edits to tool descriptions perform when competing directly with one another and how these trends generalize or differ across a broader set of 10 different models. These phenomenons, while giving developers a powerful way to promote their tools, underscore the need for a more reliable foundation for agentic LLMs to select and utilize tools and resources.

Information Extraction (IE) systems are traditionally domain-specific, requiring costly adaptation that involves expert schema design, data annotation, and model training. While Large Language Models have shown promise in zero-shot IE, performance degrades significantly in unseen domains where label definitions differ. This paper introduces GUIDEX, a novel method that automatically defines domain-specific schemas, infers guidelines, and generates synthetically labeled instances, allowing for better out-of-domain generalization. Fine-tuning Llama 3.1 with GUIDEX sets a new state-of-the-art across seven zeroshot Named Entity Recognition benchmarks. Models trained with GUIDEX gain up to 7 F1 points over previous methods without humanlabeled data, and nearly 2 F1 points higher when combined with it. Models trained on GUIDEX demonstrate enhanced comprehension of complex, domain-specific annotation schemas. Code, models, and synthetic datasets are available at neilus03.github.io/guidex.com

Large Language Models (LLMs) have demonstrated remarkable success in various tasks such as natural language understanding, text summarization, and machine translation. However, their general-purpose nature often limits their effectiveness in domain-specific applications that require specialized knowledge, such as healthcare, chemistry, or legal analysis. To address this, researchers have explored diverse methods to enhance LLMs by integrating domain-specific knowledge. In this survey, we provide a comprehensive overview of these methods, which we categorize into four key approaches: dynamic knowledge injection, static knowledge embedding, modular adapters, and prompt optimization. Each approach offers unique mechanisms to equip LLMs with domain expertise, balancing trade-offs between flexibility, scalability, and efficiency. We discuss how these methods enable LLMs to tackle specialized tasks, compare their advantages and disadvantages, evaluate domain-specific LLMs against general LLMs, and highlight the challenges and opportunities in this emerging field. For those interested in delving deeper into this area, we also summarize the commonly used datasets and benchmarks. To keep researchers updated on the latest studies, we maintain an open-source at: https://github.com/abilliyb/Knowledge_Injection_Survey_Papers, dedicated to documenting research in the field of specialized LLM.

Large language models (LLMs) such as ChatGPT have shown remarkable capabilities in code generation. Despite their great success, their effectiveness within particular domains (e.g., web development) necessitates further evaluation. In this study, we conduct an empirical study of domain-specific code generation with LLMs. We demonstrate that LLMs exhibit sub-optimal performance in generating domain-specific code, due to their limited proficiency in utilizing domain-specific libraries. We further observe that incorporating API knowledge as prompts can empower LLMs to generate more professional code. Based on these findings, we further investigate how to efficiently incorporate API knowledge into the code generation process. We experiment with three strategies for incorporating domain knowledge, namely, external knowledge inquirer, chain-of-thought prompting, and chain-of-thought fine-tuning. We refer to these strategies as a new code generation approach called DomCoder. Experimental results show that all strategies of DomCoder lead to improvement in the effectiveness of domain-specific code generation under certain settings. The results also show that there is still ample room for further improvement, based on which we suggest possible future works.

Large language models (LLMs) have shown promising capabilities in using external tools to solve complex problems. However, existing approaches either involve fine-tuning on tool demonstrations, which do not generalize to new tools without additional training, or providing tool documentation in context, limiting the number of tools. Both approaches often generate syntactically invalid tool calls. In this paper, we propose ToolDec, a finite-state machine-guided decoding algorithm for tool-augmented LLMs. ToolDec eliminates tool-related errors for any tool-augmented LLMs by ensuring valid tool names and type-conforming arguments. Furthermore, ToolDec enables LLM to effectively select tools using only the information contained in their names, with no need for fine-tuning or in-context documentation. We evaluated multiple prior methods and their ToolDec-enhanced versions on a variety of tasks involving tools like math functions, knowledge graph relations, and complex real-world RESTful APIs. Our experiments show that ToolDec reduces syntactic errors to zero, consequently achieving significantly better performance and as much as a 2x speedup. We also show that ToolDec achieves superior generalization performance on unseen tools, performing up to 8x better than the baselines.

Using tools by Large Language Models (LLMs) is a promising avenue to extend their reach beyond language or conversational settings. The number of tools can scale to thousands as they enable accessing sensory information, fetching updated factual knowledge, or taking actions in the real world. In such settings, in-context learning by providing a short list of relevant tools in the prompt is a viable approach. To retrieve relevant tools, various approaches have been suggested, ranging from simple frequency-based matching to dense embedding-based semantic retrieval. However, such approaches lack the contextual and common-sense understanding required to retrieve the right tools for complex user requests. Rather than increasing the complexity of the retrieval component itself, we propose leveraging LLM understanding to generate a retrieval query. Then, the generated query is embedded and used to find the most relevant tools via a nearest-neighbor search. We investigate three approaches for query generation: zero-shot prompting, supervised fine-tuning on tool descriptions, and alignment learning by iteratively optimizing a reward metric measuring retrieval performance. By conducting extensive experiments on a dataset covering complex and multi-tool scenarios, we show that leveraging LLMs for query generation improves the retrieval for in-domain (seen tools) and out-of-domain (unseen tools) settings.

Recent advances in large language models (LLMs) have enabled autonomous agents with complex reasoning and task-fulfillment capabilities using a wide range of tools. However, effectively identifying the most relevant tools for a given task becomes a key bottleneck as the toolset size grows, hindering reliable tool utilization. To address this, we introduce Re-Invoke, an unsupervised tool retrieval method designed to scale effectively to large toolsets without training. Specifically, we first generate a diverse set of synthetic queries that comprehensively cover different aspects of the query space associated with each tool document during the tool indexing phase. Second, we leverage LLM's query understanding capabilities to extract key tool-related context and underlying intents from user queries during the inference phase. Finally, we employ a novel multi-view similarity ranking strategy based on intents to pinpoint the most relevant tools for each query. Our evaluation demonstrates that Re-Invoke significantly outperforms state-of-the-art alternatives in both single-tool and multi-tool scenarios, all within a fully unsupervised setting. Notably, on the ToolE datasets, we achieve a 20% relative improvement in nDCG@5 for single-tool retrieval and a 39% improvement for multi-tool retrieval.

In today's software world with its cornucopia of reusable software libraries, when a programmer is faced with a programming task that they suspect can be completed through the use of a library, they often look for code examples using a search engine and then manually adapt found examples to their specific context of use. We put forward a vision based on a new breed of developer tools that have the potential to largely automate this process. The key idea is to adapt code autocompletion tools such that they take into account not only the developer's already-written code but also the intent of the task the developer is trying to achieve next, formulated in plain natural language. We call this practice of enriching the code with natural language intent to facilitate its completion natural language-guided programming. To show that this idea is feasible we design, implement and benchmark a tool that solves this problem in the context of a specific domain (data science) and a specific programming language (Python). Central to the tool is the use of language models trained on a large corpus of documented code. Our initial experiments confirm the feasibility of the idea but also make it clear that we have only scratched the surface of what may become possible in the future. We end the paper with a comprehensive research agenda to stimulate additional research in the budding area of natural language-guided programming.

The paper explores the transformation of port logistics operations with artificial intelligence during the port transformation into a smart port. The research integrates capabilities-based resource analysis and dynamic capabilities with sociotechnicalimplementations of technologies and resilience approaches of complex systems under disruptions. The system applies robustdata infrastructures to propel analytical and AI modules that become effective once integrated with sufficient governance systems and trained personnel and operational processes to transform planning and safety and sustainability operations.It applies Scopus bibliometric research to analyze 123 articles using a systematic approach with both a search protocol and a document screening and duplication verification. It incorporates annual behavior and distribution of author and country performance analysis with science mapping techniques that explore keyword relation and co-citation and bibliographic coupling and conceptual structuring tools that construct thematic maps and multiple correspondence analysis with community detection while applying explicit thresholding and robust tests.The research connects AI applications to smart port domains through specific data-to-impact pathways while providing a method for bibliometric analysis that enables future updates. The research presents a step-by-step approach for data readiness followed by predictive and optimization implementation and organizational integration. The paper supports public policy through recommendations for data sharing standards and complete environmental benefit assessments. The research proposes a future study plan whichcombines field-based testing with multiple port assessments to enhance both cause-effect understanding and research applicability.

Large language models (LLMs) have significantly advanced the field of natural language processing (NLP), providing a highly useful, task-agnostic foundation for a wide range of applications. However, directly applying LLMs to solve sophisticated problems in specific domains meets many hurdles, caused by the heterogeneity of domain data, the sophistication of domain knowledge, the uniqueness of domain objectives, and the diversity of the constraints (e.g., various social norms, cultural conformity, religious beliefs, and ethical standards in the domain applications). Domain specification techniques are key to make large language models disruptive in many applications. Specifically, to solve these hurdles, there has been a notable increase in research and practices conducted in recent years on the domain specialization of LLMs. This emerging field of study, with its substantial potential for impact, necessitates a comprehensive and systematic review to better summarize and guide ongoing work in this area. In this article, we present a comprehensive survey on domain specification techniques for large language models, an emerging direction critical for large language model applications. First, we propose a systematic taxonomy that categorizes the LLM domain-specialization techniques based on the accessibility to LLMs and summarizes the framework for all the subcategories as well as their relations and differences to each other. Second, we present an extensive taxonomy of critical application domains that can benefit dramatically from specialized LLMs, discussing their practical significance and open challenges. Last, we offer our insights into the current research status and future trends in this area.

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

With the rapid development of large language models in recent years, there has been an increasing demand for domain-specific Agents that can cater to the unique needs of enterprises and organizations. Unlike general models, which strive for broad coverage, these specialized Agents rely on focused datasets tailored to their intended applications. This research proposes a pipeline that leverages the power of LLMs and the Retrieval-Augmented Generation related framework to construct high-quality instruction datasets for fine-tuning on specific domains using custom document collections. By ingesting domain-specific documents, the pipeline generates relevant and contextually appropriate instructions, thus effectively creating a comprehensive dataset for fine-tuning LLMs on the target domain. This approach overcomes the limitations of traditional dataset creation methods, which often rely on manual curation or web-scraping techniques that may introduce noise and irrelevant data. Notably, our pipeline offers a dynamic solution that can quickly adapt to updates or modifications in the domain-specific document collection, eliminating the need for complete retraining. Additionally, it addresses the challenge of data scarcity by enabling the generation of instruction datasets from a limited set of initial documents, rendering it suitable for unpopular or specialized domains where comprehensive datasets are scarce. As a case study, we apply this approach to the domain of psychiatry, a field requiring specialized knowledge and sensitive handling of patient information. The resulting fine-tuned LLM demonstrates showcases the viability of the proposed approach and underscores its potential for widespread adoption across various industries and domains where tailored, accurate, and contextually relevant language models are indispensable.

Tool-augmented large language models (LLMs) are attracting widespread attention when accessing up-to-date knowledge and alleviating hallucination issues. Nowadays, advanced closed-source LLMs (e.g., ChatGPT) have demonstrated surprising tool-usage capabilities through prompting and in-context learning techniques. To empower the capabilities of open-source LLMs (e.g., LLaMA) in manipulating tools, current efforts focus on either template-driven or token-triggered tool-usage. However, the former hampers LLMs' flexibility to address diverse user's queries due to constrained tool interactions, while the latter limits the generalizability when engaging with new tools, since tool-usage learning is based on task- and tool-specific datasets. To alleviate these concerns, in this paper, we propose a decision-aware and generalizable tool-usage framework (DEER). Specifically, we first construct the tool-usage samples with multiple decision branches via an automatic generation pipeline, thereby inspiring the decision-making awareness of LLMs under diverse scenarios. Meanwhile, we propose a novel tool sampling strategy to enhance the generalizability of LLMs over unseen tools. Extensive experiments demonstrate that our proposed DEER is effective and significantly outperforms baselines across various datasets.

With easier access to powerful compute resources, there is a growing trend in the field of AI for software development to develop larger and larger language models (LLMs) to address a variety of programming tasks. Even LLMs applied to tasks from the high-performance computing (HPC) domain are huge in size (e.g., billions of parameters) and demand expensive compute resources for training. We found this design choice confusing - why do we need large LLMs trained on natural languages and programming languages unrelated to HPC for HPC-specific tasks? In this line of work, we aim to question design choices made by existing LLMs by developing smaller LLMs for specific domains - we call them domain-specific LLMs. Specifically, we start off with HPC as a domain and propose a novel tokenizer named Tokompiler, designed specifically for preprocessing code in HPC and compilation-centric tasks. Tokompiler leverages knowledge of language primitives to generate language-oriented tokens, providing a context-aware understanding of code structure while avoiding human semantics attributed to code structures completely. We applied Tokompiler to pre-train two state-of-the-art models, SPT-Code and Polycoder, for a Fortran code corpus mined from GitHub. We evaluate the performance of these models against the conventional LLMs. Results demonstrate that Tokompiler significantly enhances code completion accuracy and semantic understanding compared to traditional tokenizers in normalized-perplexity tests, down to ~1 perplexity score. This research opens avenues for further advancements in domain-specific LLMs, catering to the unique demands of HPC and compilation tasks.

Recent developments show that Large Language Models (LLMs) produce state-of-the-art performance on natural language (NL) to code generation for resource-rich general-purpose languages like C++, Java, and Python. However, their practical usage for structured domain-specific languages (DSLs) such as YAML, JSON is limited due to domain-specific schema, grammar, and customizations generally unseen by LLMs during pre-training. Efforts have been made to mitigate this challenge via in-context learning through relevant examples or by fine-tuning. However, it suffers from problems, such as limited DSL samples and prompt sensitivity but enterprises maintain good documentation of the DSLs. Therefore, we propose DocCGen, a framework that can leverage such rich knowledge by breaking the NL-to-Code generation task for structured code languages into a two-step process. First, it detects the correct libraries using the library documentation that best matches the NL query. Then, it utilizes schema rules extracted from the documentation of these libraries to constrain the decoding. We evaluate our framework for two complex structured languages, Ansible YAML and Bash command, consisting of two settings: Out-of-domain (OOD) and In-domain (ID). Our extensive experiments show that DocCGen consistently improves different-sized language models across all six evaluation metrics, reducing syntactic and semantic errors in structured code. We plan to open-source the datasets and code to motivate research in constrained code generation.

Large language models (LLMs) are often augmented with tools to solve complex tasks. By generating code snippets and executing them through task-specific Application Programming Interfaces (APIs), they can offload certain functions to dedicated external modules, such as image encoding and performing calculations. However, most existing approaches to augment LLMs with tools are constrained by general-purpose APIs and lack the flexibility for tailoring them to specific tasks. In this work, we present CRAFT, a general tool creation and retrieval framework for LLMs. It creates toolsets specifically curated for the tasks and equips LLMs with a component that retrieves tools from these sets to enhance their capability to solve complex tasks. For each task, we collect specific code solutions by prompting GPT-4 to solve the training examples. Following a validation step ensuring the correctness, these solutions are abstracted into code snippets to enhance reusability, and deduplicated for higher quality. At inference time, the language model retrieves snippets from the toolsets and then executes them or generates the output conditioning on the retrieved snippets. Our method is designed to be flexible and offers a plug-and-play approach to adapt off-the-shelf LLMs to unseen domains and modalities, without any finetuning. Experiments on vision-language, tabular processing, and mathematical reasoning tasks show that our approach achieves substantial improvements compared to strong baselines. In addition, our in-depth analysis reveals that: (1) consistent performance improvement can be achieved by scaling up the number of tools and the capability of the backbone models; (2) each component of our approach contributes to the performance gains; (3) the created tools are well-structured and reliable with low complexity and atomicity. The code is available at https://github.com/lifan-yuan/CRAFT.

External tools help large language models succeed at tasks where they would otherwise typically fail. In existing frameworks, choosing tools at test time relies on naive greedy decoding, regardless of whether the model has been fine-tuned on tool-annotated data or prompted with in-context examples. In contrast, we find that gathering and choosing among a suitable set of candidate tools has greater potential to lead to an optimal selection. We present Tool selECTion via meta-reasONing (TECTON), a two-phase system that first reasons over a task and outputs candidate tools using a custom fine-tuned language modelling head. Then, with the custom head disabled, it meta-reasons (i.e., it reasons over the previous reasoning process) to make a final choice. We show that TECTON results in substantial gains--both in-distribution and out-of-distribution--on a range of math reasoning datasets.

There has been an influx of biomedical domain-specific language models, showing language models pre-trained on biomedical text perform better on biomedical domain benchmarks than those trained on general domain text corpora such as Wikipedia and Books. Yet, most works do not study the factors affecting each domain language application deeply. Additionally, the study of model size on domain-specific models has been mostly missing. We empirically study and evaluate several factors that can affect performance on domain language applications, such as the sub-word vocabulary set, model size, pre-training corpus, and domain transfer. We show consistent improvements on benchmarks with our larger BioMegatron model trained on a larger domain corpus, contributing to our understanding of domain language model applications. We demonstrate noticeable improvements over the previous state-of-the-art (SOTA) on standard biomedical NLP benchmarks of named entity recognition, relation extraction, and question answering. Model checkpoints and code are available at [https://ngc.nvidia.com] and [https://github.com/NVIDIA/NeMo].

Supervised fine-tuning (SFT) is widely used to align large language models (LLMs) with information extraction (IE) tasks, such as named entity recognition (NER). However, annotating such fine-grained labels and training domain-specific models is costly. Existing works typically train a unified model across multiple domains, but such approaches lack adaptation and scalability since not all training data benefits target domains and scaling trained models remains challenging. We propose the SaM framework, which dynamically Selects and Merges expert models at inference time. Specifically, for a target domain, we select domain-specific experts pre-trained on existing domains based on (i) domain similarity to the target domain and (ii) performance on sampled instances, respectively. The experts are then merged to create task-specific models optimized for the target domain. By dynamically merging experts beneficial to target domains, we improve generalization across various domains without extra training. Additionally, experts can be added or removed conveniently, leading to great scalability. Extensive experiments on multiple benchmarks demonstrate our framework's effectiveness, which outperforms the unified model by an average of 10%. We further provide insights into potential improvements, practical experience, and extensions of our framework.

As large language models (LLMs) advance, their inability to autonomously execute tasks by directly interacting with external tools remains a critical limitation. Traditional methods rely on inputting tool descriptions as context, which is constrained by context length and requires separate, often inefficient, retrieval mechanisms. We introduce ToolGen, a paradigm shift that integrates tool knowledge directly into the LLM's parameters by representing each tool as a unique token. This enables the LLM to generate tool calls and arguments as part of its next token prediction capabilities, seamlessly blending tool invocation with language generation. Our framework allows the LLM to access and utilize a vast amount of tools with no additional retrieval step, significantly enhancing both performance and scalability. Experimental results with over 47,000 tools show that ToolGen not only achieves superior results in both tool retrieval and autonomous task completion but also sets the stage for a new era of AI agents that can adapt to tools across diverse domains. By fundamentally transforming tool retrieval into a generative process, ToolGen paves the way for more versatile, efficient, and autonomous AI systems. ToolGen enables end-to-end tool learning and opens opportunities for integration with other advanced techniques such as chain-of-thought and reinforcement learning, thereby expanding the practical capabilities of LLMs.

Large Language Models (LLMs) have demonstrated impressive capabilities as intelligent agents capable of solving complex problems. However, effective planning in scenarios involving dependencies between API or tool calls-particularly in multi-turn conversations-remains a significant challenge. To address this, we introduce T1, a tool-augmented, multi-domain, multi-turn conversational dataset specifically designed to capture and manage inter-tool dependencies across diverse domains. T1 enables rigorous evaluation of agents' ability to coordinate tool use across nine distinct domains (4 single domain and 5 multi-domain) with the help of an integrated caching mechanism for both short- and long-term memory, while supporting dynamic replanning-such as deciding whether to recompute or reuse cached results. Beyond facilitating research on tool use and planning, T1 also serves as a benchmark for evaluating the performance of open-source language models. We present results powered by T1-Agent, highlighting their ability to plan and reason in complex, tool-dependent scenarios.

Information retrieval methods often rely on a single embedding model trained on large, general-domain datasets like MSMARCO. While this approach can produce a retriever with reasonable overall performance, models trained on domain-specific data often yield better results within their respective domains. While prior work in information retrieval has tackled this through multi-task training, the topic of combining multiple domain-specific expert retrievers remains unexplored, despite its popularity in language model generation. In this work, we introduce RouterRetriever, a retrieval model that leverages multiple domain-specific experts along with a routing mechanism to select the most appropriate expert for each query. It is lightweight and allows easy addition or removal of experts without additional training. Evaluation on the BEIR benchmark demonstrates that RouterRetriever outperforms both MSMARCO-trained (+2.1 absolute nDCG@10) and multi-task trained (+3.2) models. This is achieved by employing our routing mechanism, which surpasses other routing techniques (+1.8 on average) commonly used in language modeling. Furthermore, the benefit generalizes well to other datasets, even in the absence of a specific expert on the dataset. To our knowledge, RouterRetriever is the first work to demonstrate the advantages of using multiple domain-specific expert embedding models with effective routing over a single, general-purpose embedding model in retrieval tasks.

This paper presents a new tool learning dataset Seal-Tools, which contains self-instruct API-like tools. Seal-Tools not only offers a large number of tools, but also includes instances which demonstrate the practical application of tools. Seeking to generate data on a large scale while ensuring reliability, we propose a self-instruct method to generate tools and instances, allowing precise control over the process. Moreover, our Seal-Tools contains hard instances that call multiple tools to complete the job, among which some are nested tool callings. For precise and comprehensive evaluation, we use strict format control and design three metrics from different dimensions. Therefore, Seal-Tools can serve as a new benchmark to evaluate the tool-calling ability of LLMs. Finally, we evaluate several prevalent LLMs and our finetuned model on Seal-Tools. The results show that current systems are far from perfect. The code, data and experiment results are available at https://github.com/fairyshine/Seal-Tools .

There is a compelling necessity from enterprises for fine tuning LLMs (Large Language Models) o get them trained on proprietary domain knowledge. The challenge is to imbibe the LLMs with domain specific knowledge using the most optimial resource and cost and in the best possible time. Many enterprises rely on RAG (Retrieval Augmented Generation) which does not need LLMs to be ine-tuned but they are limited by the quality of vector databases and their retrieval capabilities rather than the intrinsic capabilities of the LLMs themselves. In our current work we focus on fine tuning LLaMA, an open source LLM using proprietary documents and code from an enterprise repository and use the fine tuned models to evaluate the quality of responses. As part of this work, we aim to guide beginners on how to start with fine tuning an LLM for documentation and code by making educated guesses on size of GPU required and options that are available for formatting the data. We also propose pre processing recipes for both documentation and code to prepare dataset in different formats. The proposed methods of data preparation for document datasets are forming paragraph chunks, forming question and answer pairs and forming keyword and paragraph chunk pairs. For code dataset we propose forming summary and function pairs. Further, we qualitatively evaluate the results of the models for domain specific queries. Finally, we also propose practical guidelines and recommendations for fine tuning LLMs.

Recent advancements in large language models (LLMs) integrated with external tools and APIs have successfully addressed complex tasks by using in-context learning or fine-tuning. Despite this progress, the vast scale of tool retrieval remains challenging due to stringent input length constraints. In response, we propose a pre-retrieval strategy from an extensive repository, effectively framing the problem as the massive tool retrieval (MTR) task. We introduce the MTRB (massive tool retrieval benchmark) to evaluate real-world tool-augmented LLM scenarios with a large number of tools. This benchmark is designed for low-resource scenarios and includes a diverse collection of tools with descriptions refined for consistency and clarity. It consists of three subsets, each containing 90 test samples and 10 training samples. To handle the low-resource MTR task, we raise a new query-tool alignment (QTA) framework leverages LLMs to enhance query-tool alignment by rewriting user queries through ranking functions and the direct preference optimization (DPO) method. This approach consistently outperforms existing state-of-the-art models in top-5 and top-10 retrieval tasks across the MTRB benchmark, with improvements up to 93.28% based on the metric Sufficiency@k, which measures the adequacy of tool retrieval within the first k results. Furthermore, ablation studies validate the efficacy of our framework, highlighting its capacity to optimize performance even with limited annotated samples. Specifically, our framework achieves up to 78.53% performance improvement in Sufficiency@k with just a single annotated sample. Additionally, QTA exhibits strong cross-dataset generalizability, emphasizing its potential for real-world applications.

Tool learning can further broaden the usage scenarios of large language models (LLMs). However most of the existing methods either need to finetune that the model can only use tools seen in the training data, or add tool demonstrations into the prompt with lower efficiency. In this paper, we present a new Tool Learning method Chain-of-Tools. It makes full use of the powerful semantic representation capability of frozen LLMs to finish tool calling in CoT reasoning with a huge and flexible tool pool which may contain unseen tools. Especially, to validate the effectiveness of our approach in the massive unseen tool scenario, we construct a new dataset SimpleToolQuestions. We conduct experiments on two numerical reasoning benchmarks (GSM8K-XL and FuncQA) and two knowledge-based question answering benchmarks (KAMEL and SimpleToolQuestions). Experimental results show that our approach performs better than the baseline. We also identify dimensions of the model output that are critical in tool selection, enhancing the model interpretability. Our code and data are available at: https://github.com/fairyshine/Chain-of-Tools .

Recent proprietary large language models (LLMs), such as GPT-4, have achieved a milestone in tackling diverse challenges in the biomedical domain, ranging from multiple-choice questions to long-form generations. To address challenges that still cannot be handled with the encoded knowledge of LLMs, various retrieval-augmented generation (RAG) methods have been developed by searching documents from the knowledge corpus and appending them unconditionally or selectively to the input of LLMs for generation. However, when applying existing methods to different domain-specific problems, poor generalization becomes apparent, leading to fetching incorrect documents or making inaccurate judgments. In this paper, we introduce Self-BioRAG, a framework reliable for biomedical text that specializes in generating explanations, retrieving domain-specific documents, and self-reflecting generated responses. We utilize 84k filtered biomedical instruction sets to train Self-BioRAG that can assess its generated explanations with customized reflective tokens. Our work proves that domain-specific components, such as a retriever, domain-related document corpus, and instruction sets are necessary for adhering to domain-related instructions. Using three major medical question-answering benchmark datasets, experimental results of Self-BioRAG demonstrate significant performance gains by achieving a 7.2% absolute improvement on average over the state-of-the-art open-foundation model with a parameter size of 7B or less. Overall, we analyze that Self-BioRAG finds the clues in the question, retrieves relevant documents if needed, and understands how to answer with information from retrieved documents and encoded knowledge as a medical expert does. We release our data and code for training our framework components and model weights (7B and 13B) to enhance capabilities in biomedical and clinical domains.

Despite outstanding processes in many tasks, Large Language Models (LLMs) still lack accuracy when dealing with highly technical domains. Especially, telecommunications (telco) is a particularly challenging domain due the large amount of lexical, semantic and conceptual peculiarities. Yet, this domain holds many valuable use cases, directly linked to industrial needs. Hence, this paper studies how LLMs can be adapted to the telco domain. It reports our effort to (i) collect a massive corpus of domain-specific data (800M tokens, 80K instructions), (ii) perform adaptation using various methodologies, and (iii) benchmark them against larger generalist models in downstream tasks that require extensive knowledge of telecommunications. Our experiments on Llama-2-7b show that domain-adapted models can challenge the large generalist models. They also suggest that adaptation can be restricted to a unique instruction-tuning step, dicarding the need for any fine-tuning on raw texts beforehand.

Effective evaluation of multi-hop tool use is critical for analyzing the understanding, reasoning, and function-calling capabilities of large language models (LLMs). However, progress has been hindered by a lack of reliable evaluation datasets. To address this, we present ToolHop, a dataset comprising 995 user queries and 3,912 associated tools, specifically designed for rigorous evaluation of multi-hop tool use. ToolHop ensures diverse queries, meaningful interdependencies, locally executable tools, detailed feedback, and verifiable answers through a novel query-driven data construction approach that includes tool creation, document refinement, and code generation. We evaluate 14 LLMs across five model families (i.e., LLaMA3.1, Qwen2.5, Gemini1.5, Claude3.5, and GPT), uncovering significant challenges in handling multi-hop tool-use scenarios. The leading model, GPT-4o, achieves an accuracy of 49.04%, underscoring substantial room for improvement. Further analysis reveals variations in tool-use strategies for various families, offering actionable insights to guide the development of more effective approaches. Code and data can be found in https://huggingface.co/bytedance-research/ToolHop.

Through the integration of external tools, large language models (LLMs) such as GPT-4o and Llama 3.1 significantly expand their functional capabilities, evolving from elementary conversational agents to general-purpose assistants. We argue that the primary drivers of these advancements are the quality and diversity of the training data. However, the existing LLMs with external tool integration provide only limited transparency regarding their datasets and data collection methods, which has led to the initiation of this research. Specifically, in this paper, our objective is to elucidate the detailed process involved in constructing datasets that empower LLMs to effectively learn how to utilize external tools and make this information available to the public through the introduction of ToolBridge. ToolBridge proposes to employ a collection of general open-access datasets as its raw dataset pool and applies a series of strategies to identify appropriate data entries from the pool for external tool API insertions. By supervised fine-tuning on these curated data entries, LLMs can invoke external tools in appropriate contexts to boost their predictive accuracy, particularly for basic functions including data processing, numerical computation, and factual retrieval. Our experiments rigorously isolates model architectures and training configurations, focusing exclusively on the role of data. The experimental results indicate that LLMs trained on ToolBridge demonstrate consistent performance improvements on both standard benchmarks and custom evaluation datasets. All the associated code and data will be open-source at https://github.com/CharlesPikachu/ToolBridge, promoting transparency and facilitating the broader community to explore approaches for equipping LLMs with external tools capabilities.

Pre-training Large Language Models (LLMs) on high-quality, meticulously curated datasets is widely recognized as critical for enhancing their performance and generalization capabilities. This study explores the untapped potential of Common Crawl as a comprehensive and flexible resource for pre-training LLMs, addressing both general-purpose language understanding and specialized domain knowledge. We introduce RedStone, an innovative and scalable pipeline engineered to extract and process data from Common Crawl, facilitating the creation of extensive and varied pre-training datasets. Unlike traditional datasets, which often require expensive curation and domain-specific expertise, RedStone leverages the breadth of Common Crawl to deliver datasets tailored to a wide array of domains. In this work, we exemplify its capability by constructing pre-training datasets across multiple fields, including general language understanding, code, mathematics, and question-answering tasks. The flexibility of RedStone allows for easy adaptation to other specialized domains, significantly lowering the barrier to creating valuable domain-specific datasets. Our findings demonstrate that Common Crawl, when harnessed through effective pipelines like RedStone, can serve as a rich, renewable source of pre-training data, unlocking new avenues for domain adaptation and knowledge discovery in LLMs. This work also underscores the importance of innovative data acquisition strategies and highlights the role of web-scale data as a powerful resource in the continued evolution of LLMs. RedStone code and data samples will be publicly available at https://aka.ms/redstone.

Developing domain models is one of the few remaining places that require manual human labor in AI planning. Thus, in order to make planning more accessible, it is desirable to automate the process of domain model generation. To this end, we investigate if large language models (LLMs) can be used to generate planning domain models from simple textual descriptions. Specifically, we introduce a framework for automated evaluation of LLM-generated domains by comparing the sets of plans for domain instances. Finally, we perform an empirical analysis of 7 large language models, including coding and chat models across 9 different planning domains, and under three classes of natural language domain descriptions. Our results indicate that LLMs, particularly those with high parameter counts, exhibit a moderate level of proficiency in generating correct planning domains from natural language descriptions. Our code is available at https://github.com/IBM/NL2PDDL.

Recent advancements in tool-equipped Agents (LLMs) have enabled complex tasks like secure database interactions and multi-agent code development. However, scaling tool capacity beyond agent reasoning or model limits remains a challenge. In this paper, we address these challenges by introducing Toolshed Knowledge Bases, a tool knowledge base (vector database) designed to store enhanced tool representations and optimize tool selection for large-scale tool-equipped Agents. Additionally, we propose Advanced RAG-Tool Fusion, a novel ensemble of tool-applied advanced retrieval-augmented generation (RAG) techniques across the pre-retrieval, intra-retrieval, and post-retrieval phases, without requiring model fine-tuning. During pre-retrieval, tool documents are enhanced with key information and stored in the Toolshed Knowledge Base. Intra-retrieval focuses on query planning and transformation to increase retrieval accuracy. Post-retrieval refines the retrieved tool documents and enables self-reflection. Furthermore, by varying both the total number of tools (tool-M) an Agent has access to and the tool selection threshold (top-k), we address trade-offs between retrieval accuracy, agent performance, and token cost. Our approach achieves 46%, 56%, and 47% absolute improvements on the ToolE single-tool, ToolE multi-tool and Seal-Tools benchmark datasets, respectively (Recall@5).

Language models (LMs) are powerful yet mostly for text generation tasks. Tools have substantially enhanced their performance for tasks that require complex skills. However, many works adopt the term "tool" in different ways, raising the question: What is a tool anyway? Subsequently, where and how do tools help LMs? In this survey, we provide a unified definition of tools as external programs used by LMs, and perform a systematic review of LM tooling scenarios and approaches. Grounded on this review, we empirically study the efficiency of various tooling methods by measuring their required compute and performance gains on various benchmarks, and highlight some challenges and potential future research in the field.

Large Language Models (LLMs) have demonstrated remarkable proficiency in understanding and generating natural language. However, their capabilities wane in highly specialized domains underrepresented in the pretraining corpus, such as physical and biomedical sciences. This work explores how to repurpose general LLMs into effective task solvers for specialized domains. We introduce a novel, model-agnostic framework for learning custom input tags, which are parameterized as continuous vectors appended to the LLM's embedding layer, to condition the LLM. We design two types of input tags: domain tags are used to delimit specialized representations (e.g., chemical formulas) and provide domain-relevant context; function tags are used to represent specific functions (e.g., predicting molecular properties) and compress function-solving instructions. We develop a three-stage protocol to learn these tags using auxiliary data and domain knowledge. By explicitly disentangling task domains from task functions, our method enables zero-shot generalization to unseen problems through diverse combinations of the input tags. It also boosts LLM's performance in various specialized domains, such as predicting protein or chemical properties and modeling drug-target interactions, outperforming expert models tailored to these tasks.

Word embeddings are an essential instrument in many NLP tasks. Most available resources are trained on general language from Web corpora or Wikipedia dumps. However, word embeddings for domain-specific language are rare, in particular for the social science domain. Therefore, in this work, we describe the creation and evaluation of word embedding models based on 37,604 open-access social science research papers. In the evaluation, we compare domain-specific and general language models for (i) language coverage, (ii) diversity, and (iii) semantic relationships. We found that the created domain-specific model, even with a relatively small vocabulary size, covers a large part of social science concepts, their neighborhoods are diverse in comparison to more general models. Across all relation types, we found a more extensive coverage of semantic relationships.

Domain-specific embedding models have shown promise for applications that require specialized semantic understanding, such as coding agents and financial retrieval systems, often achieving higher performance gains than general models. However, state-of-the-art embedding models are typically based on LLMs, which contain billions of parameters, making deployment challenging in resource-constrained environments. Model compression through pruning offers a promising solution, but existing pruning methods treat all parameters uniformly, failing to distinguish between general semantic representations and domain-specific patterns, leading to suboptimal pruning decisions. Thus, we propose GAPrune, a pruning framework that addresses this challenge by considering both domain importance and preserving general linguistic foundation. Our method uses Fisher Information to measure importance and general-domain gradient alignment to assess parameter behavior, then combines these signals using our Domain Alignment Importance (DAI) scoring. Lower DAI scores indicate that the parameter is either less important for the domain task or creates conflicts between domain and general objectives. Experiments on two domain benchmarks, FinMTEB and ChemTEB, show that GAPrune maintains performance within 2.5% of dense models in one-shot pruning at 50% sparsity, while outperforming all baselines. With retraining in 100 steps, GAPrune achieves +4.51% improvement on FinMTEB and +1.73% on ChemTEB, demonstrating that our pruning strategy not only preserves but enhances domain-specific capabilities. Our findings demonstrate that principled pruning strategies can achieve model compression and enhanced domain specialization, providing the research community with a new approach for development.

Pretraining datasets for large language models (LLMs) have grown to trillions of tokens composed of large amounts of CommonCrawl (CC) web scrape along with smaller, domain-specific datasets. It is expensive to understand the impact of these domain-specific datasets on model capabilities as training at large FLOP scales is required to reveal significant changes to difficult and emergent benchmarks. Given the increasing cost of experimenting with pretraining data, how does one determine the optimal balance between the diversity in general web scrapes and the information density of domain specific data? In this work, we show how to leverage the smaller domain specific datasets by upsampling them relative to CC at the end of training to drive performance improvements on difficult benchmarks. This simple technique allows us to improve up to 6.90 pp on MMLU, 8.26 pp on GSM8K, and 6.17 pp on HumanEval relative to the base data mix for a 7B model trained for 1 trillion (T) tokens, thus rivaling Llama-2 (7B)x2014a model trained for twice as long. We experiment with ablating the duration of domain upsampling from 5% to 30% of training and find that 10% to 20% percent is optimal for navigating the tradeoff between general language modeling capabilities and targeted benchmarks. We also use domain upsampling to characterize at scale the utility of individual datasets for improving various benchmarks by removing them during this final phase of training. This tool opens up the ability to experiment with the impact of different pretraining datasets at scale, but at an order of magnitude lower cost compared to full pretraining runs.

Can one inject new concepts into an already trained generative model, while respecting its existing structure and knowledge? We propose a new task - domain expansion - to address this. Given a pretrained generator and novel (but related) domains, we expand the generator to jointly model all domains, old and new, harmoniously. First, we note the generator contains a meaningful, pretrained latent space. Is it possible to minimally perturb this hard-earned representation, while maximally representing the new domains? Interestingly, we find that the latent space offers unused, "dormant" directions, which do not affect the output. This provides an opportunity: By "repurposing" these directions, we can represent new domains without perturbing the original representation. In fact, we find that pretrained generators have the capacity to add several - even hundreds - of new domains! Using our expansion method, one "expanded" model can supersede numerous domain-specific models, without expanding the model size. Additionally, a single expanded generator natively supports smooth transitions between domains, as well as composition of domains. Code and project page available at https://yotamnitzan.github.io/domain-expansion/.

ChipNeMo aims to explore the applications of large language models (LLMs) for industrial chip design. Instead of directly deploying off-the-shelf commercial or open-source LLMs, we instead adopt the following domain adaptation techniques: custom tokenizers, domain-adaptive continued pretraining, supervised fine-tuning (SFT) with domain-specific instructions, and domain-adapted retrieval models. We evaluate these methods on three selected LLM applications for chip design: an engineering assistant chatbot, EDA script generation, and bug summarization and analysis. Our results show that these domain adaptation techniques enable significant LLM performance improvements over general-purpose base models across the three evaluated applications, enabling up to 5x model size reduction with similar or better performance on a range of design tasks. Our findings also indicate that there's still room for improvement between our current results and ideal outcomes. We believe that further investigation of domain-adapted LLM approaches will help close this gap in the future.

Graphs are able to model interconnected entities in many online services, supporting a wide range of applications on the Web. This raises an important question: How can we train a graph foundational model on multiple source domains and adapt to an unseen target domain? A major obstacle is that graphs from different domains often exhibit divergent characteristics. Some studies leverage large language models to align multiple domains based on textual descriptions associated with the graphs, limiting their applicability to text-attributed graphs. For text-free graphs, a few recent works attempt to align different feature distributions across domains, while generally neglecting structural differences. In this work, we propose a novel Structure Alignment framework for text-free Multi-domain Graph Pre-Training and cross-domain adaptation (SAMGPT). It is designed to learn multi-domain knowledge from graphs originating in multiple source domains, which can then be adapted to address applications in an unseen target domain. Specifically, we introduce a set of structure tokens to harmonize structure-based aggregation across source domains during the pre-training phase. Next, for cross-domain adaptation, we design dual prompts, namely, holistic prompts and specific prompts, which adapt unified multi-domain structural knowledge and fine-grained, domain-specific information, respectively, to a target domain. Finally, we conduct comprehensive experiments on seven public datasets to evaluate and analyze the effectiveness of SAMGPT.

The tool-using capability of large language models (LLMs) enables them to access up-to-date external information and handle complex tasks. Current approaches to enhancing this capability primarily rely on distilling advanced models by data synthesis. However, this method incurs significant costs associated with advanced model usage and often results in data compatibility issues, led by the high discrepancy in the knowledge scope between the advanced model and the target model. To address these challenges, we propose ToolACE-DEV, a self-improving framework for tool learning. First, we decompose the tool-learning objective into sub-tasks that enhance basic tool-making and tool-using abilities. Then, we introduce a self-evolving paradigm that allows lightweight models to self-improve, reducing reliance on advanced LLMs. Extensive experiments validate the effectiveness of our approach across models of varying scales and architectures.

Large Language Models (LLMs), like LLaMA, have exhibited remarkable performance across various tasks. Nevertheless, when deployed to specific domains such as law or medicine, the models still confront the challenge of a deficiency in domain-specific knowledge and an inadequate capability to leverage that knowledge to resolve domain-related problems. In this paper, we propose a new framework to adapt LLMs to specific domains and build Lawyer LLaMA, a legal domain LLM, based on this framework. Specifically, we inject domain knowledge during the continual training stage and teach the model to learn professional skills using properly designed supervised fine-tuning tasks. Moreover, to alleviate the hallucination problem during the model's generation, we add a retrieval module and extract relevant legal articles before the model answers any queries. When learning domain-specific skills, we find that experts' experience is much more useful than experiences distilled from ChatGPT, where hundreds of expert-written data outperform tens of thousands of ChatGPT-generated ones. We will release our model and data.

Despite the advancements of open-source large language models (LLMs) and their variants, e.g., LLaMA and Vicuna, they remain significantly limited in performing higher-level tasks, such as following human instructions to use external tools (APIs). This is because current instruction tuning largely focuses on basic language tasks instead of the tool-use domain. This is in contrast to state-of-the-art (SOTA) LLMs, e.g., ChatGPT, which have demonstrated excellent tool-use capabilities but are unfortunately closed source. To facilitate tool-use capabilities within open-source LLMs, we introduce ToolLLM, a general tool-use framework of data construction, model training and evaluation. We first present ToolBench, an instruction-tuning dataset for tool use, which is created automatically using ChatGPT. Specifically, we collect 16,464 real-world RESTful APIs spanning 49 categories from RapidAPI Hub, then prompt ChatGPT to generate diverse human instructions involving these APIs, covering both single-tool and multi-tool scenarios. Finally, we use ChatGPT to search for a valid solution path (chain of API calls) for each instruction. To make the searching process more efficient, we develop a novel depth-first search-based decision tree (DFSDT), enabling LLMs to evaluate multiple reasoning traces and expand the search space. We show that DFSDT significantly enhances the planning and reasoning capabilities of LLMs. For efficient tool-use assessment, we develop an automatic evaluator: ToolEval. We fine-tune LLaMA on ToolBench and obtain ToolLLaMA. Our ToolEval reveals that ToolLLaMA demonstrates a remarkable ability to execute complex instructions and generalize to unseen APIs, and exhibits comparable performance to ChatGPT. To make the pipeline more practical, we devise a neural API retriever to recommend appropriate APIs for each instruction, negating the need for manual API selection.

Despite the widespread exploration of Retrieval-Augmented Generation (RAG), its deployment in enterprises for domain-specific datasets remains limited due to poor answer accuracy. These corpora, often shielded behind firewalls in private enterprise knowledge bases, having complex, domain-specific terminology, rarely seen by LLMs during pre-training; exhibit significant semantic variability across domains (like networking, military, or legal, etc.), or even within a single domain like medicine, and thus result in poor context precision for RAG systems. Currently, in such situations, fine-tuning or RAG with fine-tuning is attempted, but these approaches are slow, expensive, and lack generalization for accuracy as the new domain-specific data emerges. We propose an approach for Enterprise Search that focuses on enhancing the retriever for a domain-specific corpus through hybrid query indexes and metadata enrichment. This 'MetaGen Blended RAG' method constructs a metadata generation pipeline using key concepts, topics, and acronyms, and then creates a metadata-enriched hybrid index with boosted search queries. This approach avoids overfitting and generalizes effectively across domains. On the PubMedQA benchmark for the biomedical domain, the proposed method achieves 82% retrieval accuracy and 77% RAG accuracy, surpassing all previous RAG accuracy results without fine-tuning and sets a new benchmark for zero-shot results while outperforming much larger models like GPT3.5. The results are even comparable to the best fine-tuned models on this dataset, and we further demonstrate the robustness and scalability of the approach by evaluating it on other Q&A datasets like SQuAD, NQ etc.

Large language models (LLMs) have garnered significant attention due to their impressive natural language processing (NLP) capabilities. Recently, many studies have focused on the tool utilization ability of LLMs. They primarily investigated how LLMs effectively collaborate with given specific tools. However, in scenarios where LLMs serve as intelligent agents, as seen in applications like AutoGPT and MetaGPT, LLMs are expected to engage in intricate decision-making processes that involve deciding whether to employ a tool and selecting the most suitable tool(s) from a collection of available tools to fulfill user requests. Therefore, in this paper, we introduce MetaTool, a benchmark designed to evaluate whether LLMs have tool usage awareness and can correctly choose tools. Specifically, we create a dataset called ToolE within the benchmark. This dataset contains various types of user queries in the form of prompts that trigger LLMs to use tools, including both single-tool and multi-tool scenarios. Subsequently, we set the tasks for both tool usage awareness and tool selection. We define four subtasks from different perspectives in tool selection, including tool selection with similar choices, tool selection in specific scenarios, tool selection with possible reliability issues, and multi-tool selection. We conduct experiments involving nine popular LLMs and find that the majority of them still struggle to effectively select tools, highlighting the existing gaps between LLMs and genuine intelligent agents. However, through the error analysis, we found there is still significant room for improvement. Finally, we conclude with insights for tool developers that follow ChatGPT to provide detailed descriptions that can enhance the tool selection performance of LLMs.

In Information Retrieval, and more generally in Natural Language Processing, adapting models to specific domains is conducted through fine-tuning. Despite the successes achieved by this method and its versatility, the need for human-curated and labeled data makes it impractical to transfer to new tasks, domains, and/or languages when training data doesn't exist. Using the model without training (zero-shot) is another option that however suffers an effectiveness cost, especially in the case of first-stage retrievers. Numerous research directions have emerged to tackle these issues, most of them in the context of adapting to a task or a language. However, the literature is scarcer for domain (or topic) adaptation. In this paper, we address this issue of cross-topic discrepancy for a sparse first-stage retriever by transposing a method initially designed for language adaptation. By leveraging pre-training on the target data to learn domain-specific knowledge, this technique alleviates the need for annotated data and expands the scope of domain adaptation. Despite their relatively good generalization ability, we show that even sparse retrievers can benefit from our simple domain adaptation method.

We introduce MCP-Bench, a benchmark for evaluating large language models (LLMs) on realistic, multi-step tasks that demand tool use, cross-tool coordination, precise parameter control, and planning/reasoning for solving tasks. Built on the Model Context Protocol (MCP), MCP-Bench connects LLMs to 28 representative live MCP servers spanning 250 tools across domains such as finance, traveling, scientific computing, and academic search. Unlike prior API-based benchmarks, each MCP server provides a set of complementary tools designed to work together, enabling the construction of authentic, multi-step tasks with rich input-output coupling. Tasks in MCP-Bench test agents' ability to retrieve relevant tools from fuzzy instructions without explicit tool names, plan multi-hop execution trajectories for complex objectives, ground responses in intermediate tool outputs, and orchestrate cross-domain workflows - capabilities not adequately evaluated by existing benchmarks that rely on explicit tool specifications, shallow few-step workflows, and isolated domain operations. We propose a multi-faceted evaluation framework covering tool-level schema understanding and usage, trajectory-level planning, and task completion. Experiments on 20 advanced LLMs reveal persistent challenges in MCP-Bench. Code and data: https://github.com/Accenture/mcp-bench.

Single-source domain generalization attempts to learn a model on a source domain and deploy it to unseen target domains. Limiting access only to source domain data imposes two key challenges - how to train a model that can generalize and how to verify that it does. The standard practice of validation on the training distribution does not accurately reflect the model's generalization ability, while validation on the test distribution is a malpractice to avoid. In this work, we construct an independent validation set by transforming source domain images with a comprehensive list of augmentations, covering a broad spectrum of potential distribution shifts in target domains. We demonstrate a high correlation between validation and test performance for multiple methods and across various datasets. The proposed validation achieves a relative accuracy improvement over the standard validation equal to 15.4% or 1.6% when used for method selection or learning rate tuning, respectively. Furthermore, we introduce a novel family of methods that increase the shape bias through enhanced edge maps. To benefit from the augmentations during training and preserve the independence of the validation set, a k-fold validation process is designed to separate the augmentation types used in training and validation. The method that achieves the best performance on the augmented validation is selected from the proposed family. It achieves state-of-the-art performance on various standard benchmarks. Code at: https://github.com/NikosEfth/crafting-shifts

Large Language Models (LLMs) currently struggle with tool invocation and chaining, as they often hallucinate or miss essential steps in a sequence. We propose RE-GAINS and EnChAnT, two novel frameworks that empower LLMs to tackle complex user queries by making API calls to external tools based on tool descriptions and argument lists. Tools are chained based on the expected output, without receiving the actual results from each individual call. EnChAnT, an open-source solution, leverages an LLM format enforcer, OpenChat 3.5 (an LLM), and ToolBench's API Retriever. RE-GAINS utilizes OpenAI models and embeddings with a specialized prompt based on the Reasoning via Planning (RAP) framework. Both frameworks are low cost (0.01\$ per query). Our key contribution is enabling LLMs for tool invocation and chaining using modifiable, externally described tools.

The ever-increasing size of language models curtails their widespread access to the community, thereby galvanizing many companies and startups into offering access to large language models through APIs. One particular API, suitable for dense retrieval, is the semantic embedding API that builds vector representations of a given text. With a growing number of APIs at our disposal, in this paper, our goal is to analyze semantic embedding APIs in realistic retrieval scenarios in order to assist practitioners and researchers in finding suitable services according to their needs. Specifically, we wish to investigate the capabilities of existing APIs on domain generalization and multilingual retrieval. For this purpose, we evaluate the embedding APIs on two standard benchmarks, BEIR, and MIRACL. We find that re-ranking BM25 results using the APIs is a budget-friendly approach and is most effective on English, in contrast to the standard practice, i.e., employing them as first-stage retrievers. For non-English retrieval, re-ranking still improves the results, but a hybrid model with BM25 works best albeit at a higher cost. We hope our work lays the groundwork for thoroughly evaluating APIs that are critical in search and more broadly, in information retrieval.

Large Language Models (LLMs) like ChatGPT and GPT-4 are versatile and capable of addressing a diverse range of tasks. However, general LLMs, which are developed on open-domain data, may lack the domain-specific knowledge essential for tasks in vertical domains, such as legal, medical, etc. To address this issue, previous approaches either conduct continuous pre-training with domain-specific data or employ retrieval augmentation to support general LLMs. Unfortunately, these strategies are either cost-intensive or unreliable in practical applications. To this end, we present a novel framework named BLADE, which enhances Black-box LArge language models with small Domain-spEcific models. BLADE consists of a black-box LLM and a small domain-specific LM. The small LM preserves domain-specific knowledge and offers specialized insights, while the general LLM contributes robust language comprehension and reasoning capabilities. Specifically, our method involves three steps: 1) pre-training the small LM with domain-specific data, 2) fine-tuning this model using knowledge instruction data, and 3) joint Bayesian optimization of the general LLM and the small LM. Extensive experiments conducted on public legal and medical benchmarks reveal that BLADE significantly outperforms existing approaches. This shows the potential of BLADE as an effective and cost-efficient solution in adapting general LLMs for vertical domains.

Natural Language Processing algorithms have made incredible progress, but they still struggle when applied to out-of-distribution examples. We address a challenging and underexplored version of this domain adaptation problem, where an algorithm is trained on several source domains, and then applied to examples from unseen domains that are unknown at training time. Particularly, no examples, labeled or unlabeled, or any other knowledge about the target domain are available to the algorithm at training time. We present PADA: An example-based autoregressive Prompt learning algorithm for on-the-fly Any-Domain Adaptation, based on the T5 language model. Given a test example, PADA first generates a unique prompt for it and then, conditioned on this prompt, labels the example with respect to the NLP prediction task. PADA is trained to generate a prompt which is a token sequence of unrestricted length, consisting of Domain Related Features (DRFs) that characterize each of the source domains. Intuitively, the generated prompt is a unique signature that maps the test example to a semantic space spanned by the source domains. In experiments with 3 tasks (text classification and sequence tagging), for a total of 14 multi-source adaptation scenarios, PADA substantially outperforms strong baselines.

Recent work has considered whether large language models (LLMs) can function as planners: given a task, generate a plan. We investigate whether LLMs can serve as generalized planners: given a domain and training tasks, generate a program that efficiently produces plans for other tasks in the domain. In particular, we consider PDDL domains and use GPT-4 to synthesize Python programs. We also consider (1) Chain-of-Thought (CoT) summarization, where the LLM is prompted to summarize the domain and propose a strategy in words before synthesizing the program; and (2) automated debugging, where the program is validated with respect to the training tasks, and in case of errors, the LLM is re-prompted with four types of feedback. We evaluate this approach in seven PDDL domains and compare it to four ablations and four baselines. Overall, we find that GPT-4 is a surprisingly powerful generalized planner. We also conclude that automated debugging is very important, that CoT summarization has non-uniform impact, that GPT-4 is far superior to GPT-3.5, and that just two training tasks are often sufficient for strong generalization.

Modern language models are trained on large, unstructured datasets consisting of trillions of tokens and obtained by crawling the web. The unstructured nature makes it difficult to reason about their contents and develop systematic approaches to data curation. In this paper, we unpack monolithic web corpora by developing taxonomies of their contents and organizing them into domains. We introduce WebOrganizer, a framework for organizing web pages in terms of both their topic and format. Using these two complementary notions of domains, we automatically annotate pre-training data by distilling annotations from a large language model into efficient classifiers. This allows us to study how data from different domains should be mixed to improve models on downstream tasks, and we show that we can combine insights about effective topics and formats to further boost performance. We demonstrate that our domain mixing also improves existing methods that select data based on quality. Furthermore, we study and compare how quality-based methods will implicitly change the domain mixture. Overall, our work demonstrates that constructing and mixing domains provides a valuable complement to quality-based data curation methods, opening new avenues for effective and insightful pre-training data curation.

In the evolving landscape of software development, Large Language Models (LLMs) exhibit a unique phenomenon known as emergent abilities, demonstrating adeptness across numerous tasks, from text summarization to code generation. While these abilities open up novel avenues in software design and crafting, their incorporation presents substantial challenges. Developers grapple with decisions surrounding the direct embedding of LLMs within applications versus employing them for code generation. Moreover, effective prompt design becomes a critical concern, given the necessity of data extraction from natural language outputs. To address these intricacies, this paper introduces AskIt, a domain-specific language (DSL) specifically designed for LLMs. AskIt simplifies LLM integration, offering type-guided output control, template-based function definitions, and a unified interface that diminishes the distinction between LLM-based code generation and application integration. Furthermore, through Programming by Example (PBE), AskIt harnesses the power of few-shot learning at the programming language level. Our evaluations underscore AskIt's potency. Across 50 tasks, AskIt generated concise prompts for the given tasks, achieving a 16.14% reduction in prompt length relative to benchmarks. Additionally, by enabling the transition from direct LLM application usage to function generation, AskIt achieved significant speedups, as observed in our GSM8K benchmark experiments. Through these advancements, AskIt streamlines the integration of LLMs in software development, offering a more efficient, versatile approach for leveraging emergent abilities. The implementations of AskIt in TypeScript and Python are available at https://github.com/katsumiok/ts-askit and https://github.com/katsumiok/pyaskit, respectively.

Recent advances in natural language processing (NLP) can be largely attributed to the advent of pre-trained language models such as BERT and RoBERTa. While these models demonstrate remarkable performance on general datasets, they can struggle in specialized domains such as medicine, where unique domain-specific terminologies, domain-specific abbreviations, and varying document structures are common. This paper explores strategies for adapting these models to domain-specific requirements, primarily through continuous pre-training on domain-specific data. We pre-trained several German medical language models on 2.4B tokens derived from translated public English medical data and 3B tokens of German clinical data. The resulting models were evaluated on various German downstream tasks, including named entity recognition (NER), multi-label classification, and extractive question answering. Our results suggest that models augmented by clinical and translation-based pre-training typically outperform general domain models in medical contexts. We conclude that continuous pre-training has demonstrated the ability to match or even exceed the performance of clinical models trained from scratch. Furthermore, pre-training on clinical data or leveraging translated texts have proven to be reliable methods for domain adaptation in medical NLP tasks.

Current state-of-the-art dialogue systems heavily rely on extensive training datasets. However, challenges arise in domains where domain-specific training datasets are insufficient or entirely absent. To tackle this challenge, we propose a novel data Augmentation framework for Multi-Domain Dialogue Generation, referred to as AMD^2G. The AMD^2G framework consists of a data augmentation process and a two-stage training approach: domain-agnostic training and domain adaptation training. We posit that domain corpora are a blend of domain-agnostic and domain-specific features, with certain representation patterns shared among diverse domains. Domain-agnostic training aims to enable models to learn these common expressive patterns. To construct domain-agnostic dialogue corpora, we employ a \textbf{de-domaining} data processing technique used to remove domain-specific features. By mitigating the effects of domain-specific features, the model trained on the de-domained corpora can effectively learn common expression patterns in different domains. Subsequently, we adapt the learned domain-agnostic features to the target domain through domain adaptation training. We conduct experiments on Chinese dialogue datasets from five different domains and show that AMD^2G achieves superior performance compared to both direct training on the target domain corpus and collective training on all five domain corpora. Our work underscores AMD^2G as a viable alternative solution for low-resource multi-domain dialogue generation. Code and data associated with our work are available on GitHub repository^{text 1}.

The advancement of transformer neural networks has significantly elevated the capabilities of sentence similarity models, particularly in creating effective vector representations of natural language inputs. However, these models face notable challenges in domain-specific contexts, especially in highly specialized scientific sub-fields. Traditional methods often struggle in this regime, either overgeneralizing similarities within a niche or being overly sensitive to minor differences, resulting in inaccurate text classification and subpar vector representation. In an era where retrieval augmentation and search are increasingly crucial, precise and concise numerical representations are essential. In this paper, we target this issue by assembling niche datasets using co-citations as a similarity metric, focusing on biomedical domains. We employ two key strategies for fine-tuning state-of-the-art models: 1. Domain-specific Fine-Tuning, which tailors pretrained models to a single domain, and 2. Universal Applicability with Mixture of Experts (MoE), adapting pretrained models with enforced routing for multiple domains simultaneously. Our training approach emphasizes the use of abstracts for faster training, incorporating Multiple Negative Rankings loss for efficient contrastive learning. Notably, our MoE variants, equipped with N experts, achieve the efficacy of N individual models, heralding a new era of versatile, One-Size-Fits-All transformer networks for various tasks. This methodology marks significant advancements in scientific text classification metrics and holds promise for enhancing vector database search and compilation.

There is a growing interest in applying pre-trained large language models (LLMs) to planning problems. However, methods that use LLMs directly as planners are currently impractical due to several factors, including limited correctness of plans, strong reliance on feedback from interactions with simulators or even the actual environment, and the inefficiency in utilizing human feedback. In this work, we introduce a novel alternative paradigm that constructs an explicit world (domain) model in planning domain definition language (PDDL) and then uses it to plan with sound domain-independent planners. To address the fact that LLMs may not generate a fully functional PDDL model initially, we employ LLMs as an interface between PDDL and sources of corrective feedback, such as PDDL validators and humans. For users who lack a background in PDDL, we show that LLMs can translate PDDL into natural language and effectively encode corrective feedback back to the underlying domain model. Our framework not only enjoys the correctness guarantee offered by the external planners but also reduces human involvement by allowing users to correct domain models at the beginning, rather than inspecting and correcting (through interactive prompting) every generated plan as in previous work. On two IPC domains and a Household domain that is more complicated than commonly used benchmarks such as ALFWorld, we demonstrate that GPT-4 can be leveraged to produce high-quality PDDL models for over 40 actions, and the corrected PDDL models are then used to successfully solve 48 challenging planning tasks. Resources including the source code will be released at: https://guansuns.github.io/pages/llm-dm.

Tool use has turned large language models (LLMs) into powerful agents that can perform complex multi-step tasks by dynamically utilising external software components. However, these tools must be implemented in advance by human developers, hindering the applicability of LLM agents in domains which demand large numbers of highly specialised tools, like in life sciences and medicine. Motivated by the growing trend of scientific studies accompanied by public code repositories, we propose ToolMaker, a novel agentic framework that autonomously transforms papers with code into LLM-compatible tools. Given a short task description and a repository URL, ToolMaker autonomously installs required dependencies and generates code to perform the task, using a closed-loop self-correction mechanism to iteratively diagnose and rectify errors. To evaluate our approach, we introduce a benchmark comprising 15 diverse and complex computational tasks spanning both medical and non-medical domains with over 100 unit tests to objectively assess tool correctness and robustness. ToolMaker correctly implements 80% of the tasks, substantially outperforming current state-of-the-art software engineering agents. ToolMaker therefore is a step towards fully autonomous agent-based scientific workflows.

There is a growing need for Large Language Models (LLMs) to effectively use tools and external Application Programming Interfaces (APIs) to plan and complete tasks. As such, there is tremendous interest in methods that can acquire sufficient quantities of train and test data that involve calls to tools / APIs. Two lines of research have emerged as the predominant strategies for addressing this challenge. The first has focused on synthetic data generation techniques, while the second has involved curating task-adjacent datasets which can be transformed into API / Tool-based tasks. In this paper, we focus on the task of identifying, curating, and transforming existing datasets and, in turn, introduce API-BLEND, a large corpora for training and systematic testing of tool-augmented LLMs. The datasets mimic real-world scenarios involving API-tasks such as API / tool detection, slot filling, and sequencing of the detected APIs. We demonstrate the utility of the API-BLEND dataset for both training and benchmarking purposes.

Recent studies on software tool manipulation with large language models (LLMs) mostly rely on closed model APIs. The industrial adoption of these models is substantially constrained due to the security and robustness risks in exposing information to closed LLM API services. In this paper, we ask can we enhance open-source LLMs to be competitive to leading closed LLM APIs in tool manipulation, with practical amount of human supervision. By analyzing common tool manipulation failures, we first demonstrate that open-source LLMs may require training with usage examples, in-context demonstration and generation style regulation to resolve failures. These insights motivate us to revisit classical methods in LLM literature, and demonstrate that we can adapt them as model alignment with programmatic data generation, system prompts and in-context demonstration retrievers to enhance open-source LLMs for tool manipulation. To evaluate these techniques, we create the ToolBench, a tool manipulation benchmark consisting of diverse software tools for real-world tasks. We demonstrate that our techniques can boost leading open-source LLMs by up to 90% success rate, showing capabilities competitive to OpenAI GPT-4 in 4 out of 8 ToolBench tasks. We show that such enhancement typically requires about one developer day to curate data for each tool, rendering a recipe with practical amount of human supervision.

There are two common ways in which developers are incorporating proprietary and domain-specific data when building applications of Large Language Models (LLMs): Retrieval-Augmented Generation (RAG) and Fine-Tuning. RAG augments the prompt with the external data, while fine-Tuning incorporates the additional knowledge into the model itself. However, the pros and cons of both approaches are not well understood. In this paper, we propose a pipeline for fine-tuning and RAG, and present the tradeoffs of both for multiple popular LLMs, including Llama2-13B, GPT-3.5, and GPT-4. Our pipeline consists of multiple stages, including extracting information from PDFs, generating questions and answers, using them for fine-tuning, and leveraging GPT-4 for evaluating the results. We propose metrics to assess the performance of different stages of the RAG and fine-Tuning pipeline. We conduct an in-depth study on an agricultural dataset. Agriculture as an industry has not seen much penetration of AI, and we study a potentially disruptive application - what if we could provide location-specific insights to a farmer? Our results show the effectiveness of our dataset generation pipeline in capturing geographic-specific knowledge, and the quantitative and qualitative benefits of RAG and fine-tuning. We see an accuracy increase of over 6 p.p. when fine-tuning the model and this is cumulative with RAG, which increases accuracy by 5 p.p. further. In one particular experiment, we also demonstrate that the fine-tuned model leverages information from across geographies to answer specific questions, increasing answer similarity from 47% to 72%. Overall, the results point to how systems built using LLMs can be adapted to respond and incorporate knowledge across a dimension that is critical for a specific industry, paving the way for further applications of LLMs in other industrial domains.

Enterprise search systems often struggle to retrieve accurate, domain-specific information due to semantic mismatches and overlapping terminologies. These issues can degrade the performance of downstream applications such as knowledge management, customer support, and retrieval-augmented generation agents. To address this challenge, we propose a scalable hard-negative mining framework tailored specifically for domain-specific enterprise data. Our approach dynamically selects semantically challenging but contextually irrelevant documents to enhance deployed re-ranking models. Our method integrates diverse embedding models, performs dimensionality reduction, and uniquely selects hard negatives, ensuring computational efficiency and semantic precision. Evaluation on our proprietary enterprise corpus (cloud services domain) demonstrates substantial improvements of 15\% in MRR@3 and 19\% in MRR@10 compared to state-of-the-art baselines and other negative sampling techniques. Further validation on public domain-specific datasets (FiQA, Climate Fever, TechQA) confirms our method's generalizability and readiness for real-world applications.

Recent advances in Large Language Model (LLM) agents have demonstrated their promising general capabilities. However, their performance in specialized real-world domains often degrades due to challenges in effectively integrating external tools and specific prompting strategies. While methods like agentic reinforcement learning have been proposed to address this, they typically rely on costly parameter updates, for example, through a process that uses Supervised Fine-Tuning (SFT) followed by a Reinforcement Learning (RL) phase with Group Relative Policy Optimization (GRPO) to alter the output distribution. However, we argue that LLMs can achieve a similar effect on the output distribution by learning experiential knowledge as a token prior, which is a far more lightweight approach that not only addresses practical data scarcity but also avoids the common issue of overfitting. To this end, we propose Training-Free Group Relative Policy Optimization (Training-Free GRPO), a cost-effective solution that enhances LLM agent performance without any parameter updates. Our method leverages the group relative semantic advantage instead of numerical ones within each group of rollouts, iteratively distilling high-quality experiential knowledge during multi-epoch learning on a minimal ground-truth data. Such knowledge serves as the learned token prior, which is seamlessly integrated during LLM API calls to guide model behavior. Experiments on mathematical reasoning and web searching tasks demonstrate that Training-Free GRPO, when applied to DeepSeek-V3.1-Terminus, significantly improves out-of-domain performance. With just a few dozen training samples, Training-Free GRPO outperforms fine-tuned small LLMs with marginal training data and cost.

Tool learning enables large language models (LLMs) to interact with external tools and APIs, greatly expanding the application scope of LLMs. However, due to the dynamic nature of external environments, these tools and APIs may become outdated over time, preventing LLMs from correctly invoking tools. Existing research primarily focuses on static environments and overlooks this issue, limiting the adaptability of LLMs in real-world applications. In this paper, we propose ToolEVO, a novel framework designed to enhance the adaptive and reflective capabilities of LLMs against tool variability. By leveraging Monte Carlo Tree Search, ToolEVO facilitates active exploration and interaction of LLMs within dynamic environments, allowing for autonomous self-reflection and self-updating of tool usage based on environmental feedback. Additionally, we introduce ToolQA-D, a benchmark specifically designed to evaluate the impact of tool variability. Extensive experiments demonstrate the effectiveness and stability of our approach, highlighting the importance of adaptability to tool variability for effective tool learning.

Retrieval-Augmented Generation (RAG) has become ubiquitous when deploying Large Language Models (LLMs), as it can address typical limitations such as generating hallucinated or outdated information. However, when building real-world RAG applications, practical issues arise. First, the retrieved information is generally domain-specific. Since it is computationally expensive to fine-tune LLMs, it is more feasible to fine-tune the retriever to improve the quality of the data included in the LLM input. Second, as more applications are deployed in the same real-world system, one cannot afford to deploy separate retrievers. Moreover, these RAG applications normally retrieve different kinds of data. Our solution is to instruction fine-tune a small retriever encoder on a variety of domain-specific tasks to allow us to deploy one encoder that can serve many use cases, thereby achieving low-cost, scalability, and speed. We show how this encoder generalizes to out-of-domain settings as well as to an unseen retrieval task on real-world enterprise use cases.

Augmenting large language models (LLM) to use external tools enhances their performance across a variety of tasks. However, prior works over-rely on task-specific demonstration of tool use that limits their generalizability and computational cost due to making many calls to large-scale LLMs. We introduce GEAR, a computationally efficient query-tool grounding algorithm that is generalizable to various tasks that require tool use while not relying on task-specific demonstrations. GEAR achieves better efficiency by delegating tool grounding and execution to small language models (SLM) and LLM, respectively; while leveraging semantic and pattern-based evaluation at both question and answer levels for generalizable tool grounding. We evaluate GEAR on 14 datasets across 6 downstream tasks, demonstrating its strong generalizability to novel tasks, tools and different SLMs. Despite offering more efficiency, GEAR achieves higher precision in tool grounding compared to prior strategies using LLM prompting, thus improving downstream accuracy at a reduced computational cost. For example, we demonstrate that GEAR-augmented GPT-J and GPT-3 outperform counterpart tool-augmented baselines because of better tool use.

Prompting and fine-tuning have emerged as two competing paradigms for augmenting language models with new capabilities, such as the use of tools. Prompting approaches are quick to set up but rely on providing explicit demonstrations of each tool's usage in the model's prompt, thus coupling tool use to the task at hand and limiting generalisation. Fine-tuning removes the need for task-specific demonstrations of tool usage at runtime; however, this ties new capabilities to a single model, thus making already-heavier setup costs a recurring expense. In this paper, we introduce language hooks, a novel framework for augmenting language models with new capabilities that is decoupled both from the model's task-specific prompt and from the model itself. The language hook algorithm interleaves text generation by the base model with the execution of modular programs that trigger conditionally based on the existing text and the available capabilities. Upon triggering, programs may call external tools, auxiliary language models (e.g. using tool specific prompts), and modify the existing context. We benchmark our method against state-of-the-art baselines, find that it outperforms task-aware approaches, and demonstrate its ability to generalise to novel tasks.

We propose a novel approach to enhancing the performance and efficiency of large language models (LLMs) by combining domain prompt routing with domain-specialized models. We introduce a system that utilizes a BERT-based router to direct incoming prompts to the most appropriate domain expert model. These expert models are specifically tuned for domains such as health, mathematics and science. Our research demonstrates that this approach can significantly outperform general-purpose models of comparable size, leading to a superior performance-to-cost ratio across various benchmarks. The implications of this study suggest a potential paradigm shift in LLM development and deployment. Rather than focusing solely on creating increasingly large, general-purpose models, the future of AI may lie in developing ecosystems of smaller, highly specialized models coupled with sophisticated routing systems. This approach could lead to more efficient resource utilization, reduced computational costs, and superior overall performance.

Tool learning aims to augment large language models (LLMs) with diverse tools, enabling them to act as agents for solving practical tasks. Due to the limited context length of tool-using LLMs, adopting information retrieval (IR) models to select useful tools from large toolsets is a critical initial step. However, the performance of IR models in tool retrieval tasks remains underexplored and unclear. Most tool-use benchmarks simplify this step by manually pre-annotating a small set of relevant tools for each task, which is far from the real-world scenarios. In this paper, we propose ToolRet, a heterogeneous tool retrieval benchmark comprising 7.6k diverse retrieval tasks, and a corpus of 43k tools, collected from existing datasets. We benchmark six types of models on ToolRet. Surprisingly, even the models with strong performance in conventional IR benchmarks, exhibit poor performance on ToolRet. This low retrieval quality degrades the task pass rate of tool-use LLMs. As a further step, we contribute a large-scale training dataset with over 200k instances, which substantially optimizes the tool retrieval ability of IR models.

The exponential growth of online textual content across diverse domains has necessitated advanced methods for automated text classification. Large Language Models (LLMs) based on transformer architectures have shown significant success in this area, particularly in natural language processing (NLP) tasks. However, general-purpose LLMs often struggle with domain-specific content, such as scientific texts, due to unique challenges like specialized vocabulary and imbalanced data. In this study, we fine-tune four state-of-the-art LLMs BERT, SciBERT, BioBERT, and BlueBERT on three datasets derived from the WoS-46985 dataset to evaluate their performance in scientific text classification. Our experiments reveal that domain-specific models, particularly SciBERT, consistently outperform general-purpose models in both abstract-based and keyword-based classification tasks. Additionally, we compare our achieved results with those reported in the literature for deep learning models, further highlighting the advantages of LLMs, especially when utilized in specific domains. The findings emphasize the importance of domain-specific adaptations for LLMs to enhance their effectiveness in specialized text classification tasks.

Question-answering for domain-specific applications has recently attracted much interest due to the latest advancements in large language models (LLMs). However, accurately assessing the performance of these applications remains a challenge, mainly due to the lack of suitable benchmarks that effectively simulate real-world scenarios. To address this challenge, we introduce two product question-answering (QA) datasets focused on Adobe Acrobat and Photoshop products to help evaluate the performance of existing models on domain-specific product QA tasks. Additionally, we propose a novel knowledge-driven RAG-QA framework to enhance the performance of the models in the product QA task. Our experiments demonstrated that inducing domain knowledge through query reformulation allowed for increased retrieval and generative performance when compared to standard RAG-QA methods. This improvement, however, is slight, and thus illustrates the challenge posed by the datasets introduced.

Recent research shows the potential of enhancing the problem-solving ability of large language models (LLMs) through the use of external tools. However, prior work along this line depends on the availability of existing tools. In this work, we take an initial step towards removing this dependency by proposing a closed-loop framework, referred to as LLMs As Tool Makers (LATM), where LLMs create their own reusable tools for problem-solving. Our approach consists of two key phases: 1) tool making: an LLM acts as the tool maker that crafts tools for given tasks, where a tool is implemented as a Python utility function. 2) tool using: an LLM acts as the tool user, which applies the tool built by the tool maker for problem-solving. The tool user can be either the same or a different LLM from the tool maker. Tool-making enables an LLM to continually generate tools that can be applied to different requests so that future requests can call the corresponding APIs when beneficial for solving the tasks. Furthermore, the division of labor among LLMs for tool-making and tool-using phases introduces the opportunity to achieve cost effectiveness without degrading the quality of generated tools and problem solutions. For example, recognizing that tool-making demands more sophisticated capabilities than tool-using, we can apply a powerful yet resource-intensive model as the tool maker, and a lightweight while cost-effective model as the tool user. We validate the effectiveness of our approach across a variety of complex reasoning tasks, including Big-Bench tasks. With GPT-4 as the tool maker and GPT-3.5 as the tool user, LATM can achieve performance that is on par with using GPT-4 for both tool making and tool using, while the inference cost is significantly reduced.

Recent developments in retrieval-augmented generation (RAG) for selecting relevant tools from a tool knowledge base enable LLM agents to scale their complex tool calling capabilities to hundreds or thousands of external tools, APIs, or agents-as-tools. However, traditional RAG-based tool retrieval fails to capture structured dependencies between tools, limiting the retrieval accuracy of a retrieved tool's dependencies. For example, among a vector database of tools, a "get stock price" API requires a "stock ticker" parameter from a "get stock ticker" API, and both depend on OS-level internet connectivity tools. In this paper, we address this limitation by introducing Graph RAG-Tool Fusion, a novel plug-and-play approach that combines the strengths of vector-based retrieval with efficient graph traversal to capture all relevant tools (nodes) along with any nested dependencies (edges) within the predefined tool knowledge graph. We also present ToolLinkOS, a new tool selection benchmark of 573 fictional tools, spanning over 15 industries, each with an average of 6.3 tool dependencies. We demonstrate that Graph RAG-Tool Fusion achieves absolute improvements of 71.7% and 22.1% over na\"ive RAG on ToolLinkOS and ToolSandbox benchmarks, respectively (mAP@10). ToolLinkOS dataset is available at https://github.com/EliasLumer/Graph-RAG-Tool-Fusion-ToolLinkOS

Domain-specific data is the crux of the successful transfer of machine learning systems from benchmarks to real life. In simple problems such as image classification, crowdsourcing has become one of the standard tools for cheap and time-efficient data collection: thanks in large part to advances in research on aggregation methods. However, the applicability of crowdsourcing to more complex tasks (e.g., speech recognition) remains limited due to the lack of principled aggregation methods for these modalities. The main obstacle towards designing aggregation methods for more advanced applications is the absence of training data, and in this work, we focus on bridging this gap in speech recognition. For this, we collect and release CrowdSpeech -- the first publicly available large-scale dataset of crowdsourced audio transcriptions. Evaluation of existing and novel aggregation methods on our data shows room for improvement, suggesting that our work may entail the design of better algorithms. At a higher level, we also contribute to the more general challenge of developing the methodology for reliable data collection via crowdsourcing. In that, we design a principled pipeline for constructing datasets of crowdsourced audio transcriptions in any novel domain. We show its applicability on an under-resourced language by constructing VoxDIY -- a counterpart of CrowdSpeech for the Russian language. We also release the code that allows a full replication of our data collection pipeline and share various insights on best practices of data collection via crowdsourcing.

Artificial intelligence (AI) is widely deployed to solve problems related to marketing attribution and budget optimization. However, AI models can be quite complex, and it can be difficult to understand model workings and insights without extensive implementation teams. In principle, recently developed large language models (LLMs), like GPT-4, can be deployed to provide marketing insights, reducing the time and effort required to make critical decisions. In practice, there are substantial challenges that need to be overcome to reliably use such models. We focus on domain-specific question-answering, SQL generation needed for data retrieval, and tabular analysis and show how a combination of semantic search, prompt engineering, and fine-tuning can be applied to dramatically improve the ability of LLMs to execute these tasks accurately. We compare both proprietary models, like GPT-4, and open-source models, like Llama-2-70b, as well as various embedding methods. These models are tested on sample use cases specific to marketing mix modeling and attribution.

We present a Japanese domain-specific language model for the pharmaceutical field, developed through continual pretraining on 2 billion Japanese pharmaceutical tokens and 8 billion English biomedical tokens. To enable rigorous evaluation, we introduce three new benchmarks: YakugakuQA, based on national pharmacist licensing exams; NayoseQA, which tests cross-lingual synonym and terminology normalization; and SogoCheck, a novel task designed to assess consistency reasoning between paired statements. We evaluate our model against both open-source medical LLMs and commercial models, including GPT-4o. Results show that our domain-specific model outperforms existing open models and achieves competitive performance with commercial ones, particularly on terminology-heavy and knowledge-based tasks. Interestingly, even GPT-4o performs poorly on SogoCheck, suggesting that cross-sentence consistency reasoning remains an open challenge. Our benchmark suite offers a broader diagnostic lens for pharmaceutical NLP, covering factual recall, lexical variation, and logical consistency. This work demonstrates the feasibility of building practical, secure, and cost-effective language models for Japanese domain-specific applications, and provides reusable evaluation resources for future research in pharmaceutical and healthcare NLP. Our model, codes, and datasets are released at https://github.com/EQUES-Inc/pharma-LLM-eval.

Language Language Models (LLMs) have shown impressive abilities in natural language understanding and generation, leading to their use in applications such as chatbots and virtual assistants. However, existing LLM frameworks face limitations in handling domain-specific data analytics tasks with rich data structures. Moreover, they struggle with flexibility to meet diverse user requirements. To address these issues, TaskWeaver is proposed as a code-first framework for building LLM-powered autonomous agents. It converts user requests into executable code and treats user-defined plugins as callable functions. TaskWeaver provides support for rich data structures, flexible plugin usage, and dynamic plugin selection, and leverages LLM coding capabilities for complex logic. It also incorporates domain-specific knowledge through examples and ensures the secure execution of generated code. TaskWeaver offers a powerful and flexible framework for creating intelligent conversational agents that can handle complex tasks and adapt to domain-specific scenarios. The code is open-sourced at https://github.com/microsoft/TaskWeaver/.

Effective analysis of cybersecurity and threat intelligence data demands language models that can interpret specialized terminology, complex document structures, and the interdependence of natural language and source code. Encoder-only transformer architectures provide efficient and robust representations that support critical tasks such as semantic search, technical entity extraction, and semantic analysis, which are key to automated threat detection, incident triage, and vulnerability assessment. However, general-purpose language models often lack the domain-specific adaptation required for high precision. We present SecureBERT 2.0, an enhanced encoder-only language model purpose-built for cybersecurity applications. Leveraging the ModernBERT architecture, SecureBERT 2.0 introduces improved long-context modeling and hierarchical encoding, enabling effective processing of extended and heterogeneous documents, including threat reports and source code artifacts. Pretrained on a domain-specific corpus more than thirteen times larger than its predecessor, comprising over 13 billion text tokens and 53 million code tokens from diverse real-world sources, SecureBERT 2.0 achieves state-of-the-art performance on multiple cybersecurity benchmarks. Experimental results demonstrate substantial improvements in semantic search for threat intelligence, semantic analysis, cybersecurity-specific named entity recognition, and automated vulnerability detection in code within the cybersecurity domain.

We present Semantic Interpreter, a natural language-friendly AI system for productivity software such as Microsoft Office that leverages large language models (LLMs) to execute user intent across application features. While LLMs are excellent at understanding user intent expressed as natural language, they are not sufficient for fulfilling application-specific user intent that requires more than text-to-text transformations. We therefore introduce the Office Domain Specific Language (ODSL), a concise, high-level language specialized for performing actions in and interacting with entities in Office applications. Semantic Interpreter leverages an Analysis-Retrieval prompt construction method with LLMs for program synthesis, translating natural language user utterances to ODSL programs that can be transpiled to application APIs and then executed. We focus our discussion primarily on a research exploration for Microsoft PowerPoint.

The rapid advancement of large language models(LLMs) has intensified the need for domain and culture specific evaluation. Existing benchmarks are largely Anglocentric and domain-agnostic, limiting their applicability to India-centric contexts. To address this gap, we introduce BhashaBench V1, the first domain-specific, multi-task, bilingual benchmark focusing on critical Indic knowledge systems. BhashaBench V1 contains 74,166 meticulously curated question-answer pairs, with 52,494 in English and 21,672 in Hindi, sourced from authentic government and domain-specific exams. It spans four major domains: Agriculture, Legal, Finance, and Ayurveda, comprising 90+ subdomains and covering 500+ topics, enabling fine-grained evaluation. Evaluation of 29+ LLMs reveals significant domain and language specific performance gaps, with especially large disparities in low-resource domains. For instance, GPT-4o achieves 76.49% overall accuracy in Legal but only 59.74% in Ayurveda. Models consistently perform better on English content compared to Hindi across all domains. Subdomain-level analysis shows that areas such as Cyber Law, International Finance perform relatively well, while Panchakarma, Seed Science, and Human Rights remain notably weak. BhashaBench V1 provides a comprehensive dataset for evaluating large language models across India's diverse knowledge domains. It enables assessment of models' ability to integrate domain-specific knowledge with bilingual understanding. All code, benchmarks, and resources are publicly available to support open research.

Retrieval-Augmented Generation (RAG) has become a standard architectural pattern for incorporating domain-specific knowledge into user-facing chat applications powered by Large Language Models (LLMs). RAG systems are characterized by (1) a document retriever that queries a domain-specific corpus for context information relevant to an input query, and (2) an LLM that generates a response based on the provided query and context. However, comprehensive evaluation of RAG systems remains a challenge due to the lack of unified evaluation criteria and annotated datasets. In response, we introduce RAGBench: the first comprehensive, large-scale RAG benchmark dataset of 100k examples. It covers five unique industry-specific domains and various RAG task types. RAGBench examples are sourced from industry corpora such as user manuals, making it particularly relevant for industry applications. Further, we formalize the TRACe evaluation framework: a set of explainable and actionable RAG evaluation metrics applicable across all RAG domains. We release the labeled dataset at https://huggingface.co/datasets/rungalileo/ragbench. RAGBench explainable labels facilitate holistic evaluation of RAG systems, enabling actionable feedback for continuous improvement of production applications. Thorough extensive benchmarking, we find that LLM-based RAG evaluation methods struggle to compete with a finetuned RoBERTa model on the RAG evaluation task. We identify areas where existing approaches fall short and propose the adoption of RAGBench with TRACe towards advancing the state of RAG evaluation systems.

Given the dominance of dense retrievers that do not generalize well beyond their training dataset distributions, domain-specific test sets are essential in evaluating retrieval. There are few test datasets for retrieval systems intended for use by healthcare providers in a point-of-care setting. To fill this gap we have collaborated with medical professionals to create CURE, an ad-hoc retrieval test dataset for passage ranking with 2000 queries spanning 10 medical domains with a monolingual (English) and two cross-lingual (French/Spanish -> English) conditions. In this paper, we describe how CURE was constructed and provide baseline results to showcase its effectiveness as an evaluation tool. CURE is published with a Creative Commons Attribution Non Commercial 4.0 license and can be accessed on Hugging Face.

How to evaluate Large Language Models (LLMs) in code generation remains an open question. Existing benchmarks have two limitations - data leakage and lack of domain-specific evaluation. The former hurts the fairness of benchmarks, and the latter hinders practitioners from selecting superior LLMs for specific programming domains. To address these two limitations, we propose a new benchmark - EvoCodeBench, which has the following advances: (1) Evolving data. EvoCodeBench will be dynamically updated every period (e.g., 6 months) to avoid data leakage. This paper releases the first version - EvoCodeBench-2403, containing 275 samples from 25 repositories. (2) A domain taxonomy and domain labels. Based on the statistics of open-source communities, we design a programming domain taxonomy consisting of 10 popular domains. Based on the taxonomy, we annotate each sample in EvoCodeBench with a domain label. (3) Domain-specific evaluations. Besides the Pass@k, we compute the Domain-Specific Improvement (DSI) and define LLMs' comfort and strange domains. These evaluations help practitioners select superior LLMs in specific domains and discover the shortcomings of existing LLMs. We evaluate 8 popular LLMs (e.g., gpt-4, DeepSeek Coder) on EvoCodeBench and summarize some insights. EvoCodeBench reveals the actual abilities of these LLMs in real-world repositories. For example, the highest Pass@1 of gpt-4 on EvoCodeBench-2403 is only 20.74%. Besides, we evaluate LLMs in different domains and discover their comfort and strange domains. For example, gpt-4 performs best in most domains but falls behind others in the Internet domain. StarCoder 2-15B unexpectedly performs well in the Database domain and even outperforms 33B LLMs. EvoCodeBench has been released.

Open-domain code generation aims to generate code in a general-purpose programming language (such as Python) from natural language (NL) intents. Motivated by the intuition that developers usually retrieve resources on the web when writing code, we explore the effectiveness of incorporating two varieties of external knowledge into NL-to-code generation: automatically mined NL-code pairs from the online programming QA forum StackOverflow and programming language API documentation. Our evaluations show that combining the two sources with data augmentation and retrieval-based data re-sampling improves the current state-of-the-art by up to 2.2% absolute BLEU score on the code generation testbed CoNaLa. The code and resources are available at https://github.com/neulab/external-knowledge-codegen.

Automatically generating source code from natural language descriptions has been a growing field of research in recent years. However, current large-scale code generation models often encounter difficulties when selecting appropriate APIs for specific contexts. These models may generate APIs that do not meet requirements or refer to non-existent APIs in third-party libraries, especially for lesser-known or private libraries. Inspired by the process of human developers using tools to search APIs, we propose ToolCoder, a novel approach that integrates API search tools with existing models to assist in code generation and API selection. To teach our model to use tools, we introduce an automated data annotation method using ChatGPT to add tool usage information into the source code data and fine-tune code generation models. During inference, we integrate API search tools into the generation process so that our model can automatically use the search tool to get suggestions when selecting an API. Our experimental results demonstrate that ToolCoder exhibits excellent performance and generalization across five public and private library code generation benchmarks, with at least 6.21\% improvement on average pass@1 metrics and 9.64\% improvement on average pass@10 metrics compared to state-of-the-art methods. Furthermore, we show that our relatively small ToolCoder model is comparable to one of the current best models, GPT-3.5, highlighting the potential of incorporating programming tools into the code generation process.

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to extend their utility, empowering them to solve practical tasks. Existing work typically empowers LLMs as tool users with a manually designed workflow, where the LLM plans a series of tools in a step-by-step manner, and sequentially executes each tool to obtain intermediate results until deriving the final answer. However, they suffer from two challenges in realistic scenarios: (1) The handcrafted control flow is often ad-hoc and constraints the LLM to local planning; (2) The LLM is instructed to use only manually demonstrated tools or well-trained Python functions, which limits its generalization to new tools. In this work, we first propose Automatic Tool Chain (ATC), a framework that enables the LLM to act as a multi-tool user, which directly utilizes a chain of tools through programming. To scale up the scope of the tools, we next propose a black-box probing method. This further empowers the LLM as a tool learner that can actively discover and document tool usages, teaching themselves to properly master new tools. For a comprehensive evaluation, we build a challenging benchmark named ToolFlow, which diverges from previous benchmarks by its long-term planning scenarios and complex toolset. Experiments on both existing datasets and ToolFlow illustrate the superiority of our framework. Analysis on different settings also validates the effectiveness and the utility of our black-box probing algorithm.

We present a toolkit for creating low-cost Mixture-of-Domain-Experts (MOE) from trained models. The toolkit can be used for creating a mixture from models or from adapters. We perform extensive tests and offer guidance on defining the architecture of the resulting MOE using the toolkit. A public repository is available.

Recent research has demonstrated that Large Language Models (LLMs) can enhance their capabilities by utilizing external tools. However, three pivotal questions remain unanswered: (1) How effective are current LLMs in utilizing tools? (2) How can we enhance LLMs' ability to utilize tools? (3) What obstacles need to be overcome to leverage tools? To address these questions, we introduce API-Bank, a groundbreaking benchmark, specifically designed for tool-augmented LLMs. For the first question, we develop a runnable evaluation system consisting of 73 API tools. We annotate 314 tool-use dialogues with 753 API calls to assess the existing LLMs' capabilities in planning, retrieving, and calling APIs. For the second question, we construct a comprehensive training set containing 1,888 tool-use dialogues from 2,138 APIs spanning 1,000 distinct domains. Using this dataset, we train Lynx, a tool-augmented LLM initialized from Alpaca. Experimental results demonstrate that GPT-3.5 exhibits improved tool utilization compared to GPT-3, while GPT-4 excels in planning. However, there is still significant potential for further improvement. Moreover, Lynx surpasses Alpaca's tool utilization performance by more than 26 pts and approaches the effectiveness of GPT-3.5. Through error analysis, we highlight the key challenges for future research in this field to answer the third question.

Aspect-based summarization is the task of generating focused summaries based on specific points of interest. Such summaries aid efficient analysis of text, such as quickly understanding reviews or opinions from different angles. However, due to large differences in the type of aspects for different domains (e.g., sentiment, product features), the development of previous models has tended to be domain-specific. In this paper, we propose WikiAsp, a large-scale dataset for multi-domain aspect-based summarization that attempts to spur research in the direction of open-domain aspect-based summarization. Specifically, we build the dataset using Wikipedia articles from 20 different domains, using the section titles and boundaries of each article as a proxy for aspect annotation. We propose several straightforward baseline models for this task and conduct experiments on the dataset. Results highlight key challenges that existing summarization models face in this setting, such as proper pronoun handling of quoted sources and consistent explanation of time-sensitive events.

Large language models (LLMs) trained on general domain corpora showed remarkable results on natural language processing (NLP) tasks. However, previous research demonstrated LLMs trained using domain-focused corpora perform better on specialized tasks. Inspired by this pivotal insight, we developed INDUS, a comprehensive suite of LLMs tailored for the Earth science, biology, physics, heliophysics, planetary sciences and astrophysics domains and trained using curated scientific corpora drawn from diverse data sources. The suite of models include: (1) an encoder model trained using domain-specific vocabulary and corpora to address natural language understanding tasks, (2) a contrastive-learning-based general text embedding model trained using a diverse set of datasets drawn from multiple sources to address information retrieval tasks and (3) smaller versions of these models created using knowledge distillation techniques to address applications which have latency or resource constraints. We also created three new scientific benchmark datasets namely, CLIMATE-CHANGE-NER (entity-recognition), NASA-QA (extractive QA) and NASA-IR (IR) to accelerate research in these multi-disciplinary fields. Finally, we show that our models outperform both general-purpose encoders (RoBERTa) and existing domain-specific encoders (SciBERT) on these new tasks as well as existing benchmark tasks in the domains of interest.

Distribution shift presents a significant challenge in machine learning, where models often underperform during the test stage when faced with a different distribution than the one they were trained on. This paper focuses on domain shifts, which occur when the model is applied to new domains that are different from the ones it was trained on, and propose a new approach called D^3G. Unlike previous methods that aim to learn a single model that is domain invariant, D^3G leverages domain similarities based on domain metadata to learn domain-specific models. Concretely, D^3G learns a set of training-domain-specific functions during the training stage and reweights them based on domain relations during the test stage. These domain relations can be directly obtained and learned from domain metadata. Under mild assumptions, we theoretically prove that using domain relations to reweight training-domain-specific functions achieves stronger out-of-domain generalization compared to the conventional averaging approach. Empirically, we evaluate the effectiveness of D^3G using real-world datasets for tasks such as temperature regression, land use classification, and molecule-protein binding affinity prediction. Our results show that D^3G consistently outperforms state-of-the-art methods.

Accurately identifying adversarial techniques in security texts is critical for effective cyber defense. However, existing methods face a fundamental trade-off: they either rely on generic models with limited domain precision or require resource-intensive pipelines that depend on large labeled datasets and task-specific optimizations, such as custom hard-negative mining and denoising, resources rarely available in specialized domains. We propose TechniqueRAG, a domain-specific retrieval-augmented generation (RAG) framework that bridges this gap by integrating off-the-shelf retrievers, instruction-tuned LLMs, and minimal text-technique pairs. Our approach addresses data scarcity by fine-tuning only the generation component on limited in-domain examples, circumventing the need for resource-intensive retrieval training. While conventional RAG mitigates hallucination by coupling retrieval and generation, its reliance on generic retrievers often introduces noisy candidates, limiting domain-specific precision. To address this, we enhance retrieval quality and domain specificity through zero-shot LLM re-ranking, which explicitly aligns retrieved candidates with adversarial techniques. Experiments on multiple security benchmarks demonstrate that TechniqueRAG achieves state-of-the-art performance without extensive task-specific optimizations or labeled data, while comprehensive analysis provides further insights.

Large language models have demonstrated remarkable potential in various tasks, however, there remains a significant scarcity of open-source models and data for specific domains. Previous works have primarily focused on manually specifying resources and collecting high-quality data on specific domains, which significantly consume time and effort. To address this limitation, we propose an efficient data collection method~Query of CC based on large language models. This method bootstraps seed information through a large language model and retrieves related data from public corpora. It not only collects knowledge-related data for specific domains but unearths the data with potential reasoning procedures. Through the application of this method, we have curated a high-quality dataset called~Knowledge Pile, encompassing four major domains, including stem and humanities sciences, among others. Experimental results demonstrate that~Knowledge Pile significantly improves the performance of large language models in mathematical and knowledge-related reasoning ability tests. To facilitate academic sharing, we open-source our dataset and code, providing valuable support to the academic community.

Although pre-trained language models have exhibited great flexibility and versatility with prompt-based few-shot learning, they suffer from the extensive parameter size and limited applicability for inference. Recent studies have suggested that PLMs be used as dataset generators and a tiny task-specific model be trained to achieve efficient inference. However, their applicability to various domains is limited because they tend to generate domain-specific datasets. In this work, we propose a novel approach to universal domain generalization that generates a dataset regardless of the target domain. This allows for generalization of the tiny task model to any domain that shares the label space, thus enhancing the real-world applicability of the dataset generation paradigm. Our experiments indicate that the proposed method accomplishes generalizability across various domains while using a parameter set that is orders of magnitude smaller than PLMs.

Large Language Models (LLMs) have shown promise in highly-specialized domains, however challenges are still present in aspects of accuracy and costs. These limitations restrict the usage of existing models in domain-specific tasks. While fine-tuning pre-trained models have shown promising results, this process can be computationally expensive and require massive datasets of the specialized application in hand. In this work, we bridge that gap. We have developed Phi-2-Legal and Mistral-Legal-7B, which are language models specifically designed for legal applications. These models are based on Phi-2 and Mistral-7B-v0.1, and have gone through continued pre-training with over 500 million tokens of legal texts. Our innovative approach significantly improves capabilities in legal tasks by using Large Language Models (LLMs) to convert raw training data into reading comprehension text. Our legal LLMs have demonstrated superior performance in legal benchmarks, even outperforming models trained on much larger datasets with more resources. This work emphasizes the effectiveness of continued pre-training on domain-specific texts, while using affordable LLMs for data conversion, which gives these models domain expertise while retaining general language understanding capabilities. While this work uses the legal domain as a test case, our method can be scaled and applied to any pre-training dataset, resulting in significant improvements across different tasks. These findings underscore the potential of domain-adaptive pre-training and reading comprehension for the development of highly effective domain-specific language models.

Pretraining large neural language models, such as BERT, has led to impressive gains on many natural language processing (NLP) tasks. However, most pretraining efforts focus on general domain corpora, such as newswire and Web. A prevailing assumption is that even domain-specific pretraining can benefit by starting from general-domain language models. In this paper, we challenge this assumption by showing that for domains with abundant unlabeled text, such as biomedicine, pretraining language models from scratch results in substantial gains over continual pretraining of general-domain language models. To facilitate this investigation, we compile a comprehensive biomedical NLP benchmark from publicly-available datasets. Our experiments show that domain-specific pretraining serves as a solid foundation for a wide range of biomedical NLP tasks, leading to new state-of-the-art results across the board. Further, in conducting a thorough evaluation of modeling choices, both for pretraining and task-specific fine-tuning, we discover that some common practices are unnecessary with BERT models, such as using complex tagging schemes in named entity recognition (NER). To help accelerate research in biomedical NLP, we have released our state-of-the-art pretrained and task-specific models for the community, and created a leaderboard featuring our BLURB benchmark (short for Biomedical Language Understanding & Reasoning Benchmark) at https://aka.ms/BLURB.

We present M2D2, a fine-grained, massively multi-domain corpus for studying domain adaptation in language models (LMs). M2D2 consists of 8.5B tokens and spans 145 domains extracted from Wikipedia and Semantic Scholar. Using ontologies derived from Wikipedia and ArXiv categories, we organize the domains in each data source into 22 groups. This two-level hierarchy enables the study of relationships between domains and their effects on in- and out-of-domain performance after adaptation. We also present a number of insights into the nature of effective domain adaptation in LMs, as examples of the new types of studies M2D2 enables. To improve in-domain performance, we show the benefits of adapting the LM along a domain hierarchy; adapting to smaller amounts of fine-grained domain-specific data can lead to larger in-domain performance gains than larger amounts of weakly relevant data. We further demonstrate a trade-off between in-domain specialization and out-of-domain generalization within and across ontologies, as well as a strong correlation between out-of-domain performance and lexical overlap between domains.

Conventional recommender systems (RSs) face challenges in precisely capturing users' fine-grained preferences. Large language models (LLMs) have shown capabilities in commonsense reasoning and leveraging external tools that may help address these challenges. However, existing LLM-based RSs suffer from hallucinations, misalignment between the semantic space of items and the behavior space of users, or overly simplistic control strategies (e.g., whether to rank or directly present existing results). To bridge these gap, we introduce ToolRec, a framework for LLM-empowered recommendations via tool learning that uses LLMs as surrogate users, thereby guiding the recommendation process and invoking external tools to generate a recommendation list that aligns closely with users' nuanced preferences. We formulate the recommendation process as a process aimed at exploring user interests in attribute granularity. The process factors in the nuances of the context and user preferences. The LLM then invokes external tools based on a user's attribute instructions and probes different segments of the item pool. We consider two types of attribute-oriented tools: rank tools and retrieval tools. Through the integration of LLMs, ToolRec enables conventional recommender systems to become external tools with a natural language interface. Extensive experiments verify the effectiveness of ToolRec, particularly in scenarios that are rich in semantic content.

We present ELTEX (Efficient LLM Token Extraction), a domain-driven framework for generating high-quality synthetic training data in specialized domains. While Large Language Models (LLMs) have shown impressive general capabilities, their performance in specialized domains like cybersecurity remains limited by the scarcity of domain-specific training data. ELTEX addresses this challenge by systematically integrating explicit domain indicator extraction with dynamic prompting to preserve critical domain knowledge throughout the generation process. We demonstrate ELTEX's effectiveness in the context of blockchain-related cyberattack detection, where we fine-tune Gemma-2B using various combinations of real and ELTEX-generated data. Our results show that the ELTEX-enhanced model achieves performance competitive with GPT-4 across both standard classification metrics and uncertainty calibration, while requiring significantly fewer computational resources. We release a curated synthetic dataset of social media texts for cyberattack detection in blockchain. Our work demonstrates that domain-driven synthetic data generation can effectively bridge the performance gap between resource-efficient models and larger architectures in specialized domains.

Metadata plays a critical role in indexing, documenting, and analyzing scientific literature, yet extracting it accurately and efficiently remains a challenging task. Traditional approaches often rely on rule-based or task-specific models, which struggle to generalize across domains and schema variations. In this paper, we present MeXtract, a family of lightweight language models designed for metadata extraction from scientific papers. The models, ranging from 0.5B to 3B parameters, are built by fine-tuning Qwen 2.5 counterparts. In their size family, MeXtract achieves state-of-the-art performance on metadata extraction on the MOLE benchmark. To further support evaluation, we extend the MOLE benchmark to incorporate model-specific metadata, providing an out-of-domain challenging subset. Our experiments show that fine-tuning on a given schema not only yields high accuracy but also transfers effectively to unseen schemas, demonstrating the robustness and adaptability of our approach. We release all the code, datasets, and models openly for the research community.

Semi-structured tables are ubiquitous. There has been a variety of tasks that aim to automatically interpret, augment, and query tables. Current methods often require pretraining on tables or special model architecture design, are restricted to specific table types, or have simplifying assumptions about tables and tasks. This paper makes the first step towards developing open-source large language models (LLMs) as generalists for a diversity of table-based tasks. Towards that end, we construct TableInstruct, a new dataset with a variety of realistic tables and tasks, for instruction tuning and evaluating LLMs. We further develop the first open-source generalist model for tables, TableLlama, by fine-tuning Llama 2 (7B) with LongLoRA to address the long context challenge. We experiment under both in-domain setting and out-of-domain setting. On 7 out of 8 in-domain tasks, TableLlama achieves comparable or better performance than the SOTA for each task, despite the latter often has task-specific design. On 6 out-of-domain datasets, it achieves 6-48 absolute point gains compared with the base model, showing that training on TableInstruct enhances the model's generalizability. We will open-source our dataset and trained model to boost future work on developing open generalist models for tables.

Selecting a suitable training dataset is crucial for both general-domain (e.g., GPT-3) and domain-specific (e.g., Codex) language models (LMs). We formalize this data selection problem as selecting a subset of a large raw unlabeled dataset to match a desired target distribution, given some unlabeled target samples. Due to the large scale and dimensionality of the raw text data, existing methods use simple heuristics to select data that are similar to a high-quality reference corpus (e.g., Wikipedia), or leverage experts to manually curate data. Instead, we extend the classic importance resampling approach used in low-dimensions for LM data selection. Crucially, we work in a reduced feature space to make importance weight estimation tractable over the space of text. To determine an appropriate feature space, we first show that KL reduction, a data metric that measures the proximity between selected data and the target in a feature space, has high correlation with average accuracy on 8 downstream tasks (r=0.89) when computed with simple n-gram features. From this observation, we present Data Selection with Importance Resampling (DSIR), an efficient and scalable algorithm that estimates importance weights in a reduced feature space (e.g., n-gram features in our instantiation) and selects data with importance resampling according to these weights. When training general-domain models (target is Wikipedia + books), DSIR improves over random selection and heuristic filtering baselines by 2--2.5% on the GLUE benchmark. When performing continued pretraining towards a specific domain, DSIR performs comparably to expert curated data across 8 target distributions.

In the landscape of publicly available patent retrieval datasets, the need for explicit indomain and out-of-domain labeling, multi-jurisdiction coverage, balanced query domain representation and manageable sizes that support sub document level experiments on moderate computational resources is often overlooked. To address these gaps, we propose DAPFAM, a new open access domain-aware patent retrieval dataset constructed at the simple-family level. The dataset contains 1,247 domain balanced full text query families and 45,336 full text target families. The dataset is enriched by clear relevance judgments (forward/backward citations as positive links, random negatives), as well as explicit in-domain or out-of-domain relationships via a novel proposed labelling scheme based on via International Patent Classification (IPC) codes, resulting in 49,869 evaluation pairs. The dataset is multi jurisdictional, requires little to no preprocessing for retrieval evaluation, and remains of a size manageable for entities with limited ressources allowing for sub document level retrieval experiments without excessive computational costs. We describe our three-step data-curation pipeline, present comprehensive dataset statistics, and provide baseline experiments using lexical and neural retrieval methods. Our baseline experiments highlight significant challenges in crossdomain patent retrieval. The dataset will be publicly available (for now the access link is this repository: https://osf.io/vbyzd/?view_only=1a40242e0d1941a58aa854af3e50cf6b).

Domain experts across engineering, healthcare, and education follow strict standards for producing quality content such as technical manuals, medication instructions, and children's reading materials. However, current works in controllable text generation have yet to explore using these standards as references for control. Towards this end, we introduce Standardize, a retrieval-style in-context learning-based framework to guide large language models to align with expert-defined standards. Focusing on English language standards in the education domain as a use case, we consider the Common European Framework of Reference for Languages (CEFR) and Common Core Standards (CCS) for the task of open-ended content generation. Our findings show that models can gain 40% to 100% increase in precise accuracy for Llama2 and GPT-4, respectively, demonstrating that the use of knowledge artifacts extracted from standards and integrating them in the generation process can effectively guide models to produce better standard-aligned content.

Recently, an increasing number of AI-driven programming assistants powered by code LLMs have been integrated into various real-world software development environments, significantly boosting developer productivity. However, existing code generation benchmarks primarily focus on general-purpose scenarios, leaving the code generation performance of LLMs for specific application domains largely unknown. In this paper, we introduce a new benchmark, MultiCodeBench, to fill this gap. MultiCodeBench comprises 2,400 programming tasks, covering 12 popular software development domains and 15 programming languages. Specifically, we perform in-depth research to identify these 12 application domains. Given that each domain may involve multiple technical frameworks, and that different frameworks present distinct challenges in the coding process, we categorize the commonly used frameworks and platforms within each domain. We then sample programming problems from GitHub repositories related to these subdomains. To ensure the quality of the tasks and mitigate data leakage issues, we invite annotators to rewrite the docstrings for each task in MultiCodeBench. Additionally, we build a static analysis-based dependency parsing tool to extract the dependencies in the ground truth for each task, enabling deeper performance analysis. Through extensive experiments on MultiCodeBench with eleven representative mainstream LLMs, we reveal the code generation performance of the LLMs across different application domains, providing practical insights for developers in downstream fields when selecting LLMs. Furthermore, we analyze the reasons behind the models' failures in completing software application development tasks, offering guidance for model developers to enhance domain-specific code generation capabilities.

Training keyphrase generation (KPG) models require a large amount of annotated data, which can be prohibitively expensive and often limited to specific domains. In this study, we first demonstrate that large distribution shifts among different domains severely hinder the transferability of KPG models. We then propose a three-stage pipeline, which gradually guides KPG models' learning focus from general syntactical features to domain-related semantics, in a data-efficient manner. With Domain-general Phrase pre-training, we pre-train Sequence-to-Sequence models with generic phrase annotations that are widely available on the web, which enables the models to generate phrases in a wide range of domains. The resulting model is then applied in the Transfer Labeling stage to produce domain-specific pseudo keyphrases, which help adapt models to a new domain. Finally, we fine-tune the model with limited data with true labels to fully adapt it to the target domain. Our experiment results show that the proposed process can produce good-quality keyphrases in new domains and achieve consistent improvements after adaptation with limited in-domain annotated data. All code and datasets are available at https://github.com/memray/OpenNMT-kpg-release.

Domain specificity of embedding models is critical for effective performance. However, existing benchmarks, such as FinMTEB, are primarily designed for high-resource languages, leaving low-resource settings, such as Korean, under-explored. Directly translating established English benchmarks often fails to capture the linguistic and cultural nuances present in low-resource domains. In this paper, titled TWICE: What Advantages Can Low-Resource Domain-Specific Embedding Models Bring? A Case Study on Korea Financial Texts, we introduce KorFinMTEB, a novel benchmark for the Korean financial domain, specifically tailored to reflect its unique cultural characteristics in low-resource languages. Our experimental results reveal that while the models perform robustly on a translated version of FinMTEB, their performance on KorFinMTEB uncovers subtle yet critical discrepancies, especially in tasks requiring deeper semantic understanding, that underscore the limitations of direct translation. This discrepancy highlights the necessity of benchmarks that incorporate language-specific idiosyncrasies and cultural nuances. The insights from our study advocate for the development of domain-specific evaluation frameworks that can more accurately assess and drive the progress of embedding models in low-resource settings.

Large Language Models (LLMs) are widely applied to downstream domains. However, current LLMs for high-stakes domain tasks, such as financial investment and legal QA, typically generate brief answers without reasoning processes and explanations. This limits users' confidence in making decisions based on their responses. While original CoT shows promise, it lacks self-correction mechanisms during reasoning. This work introduces Domaino1s, which enhances LLMs' reasoning capabilities on domain tasks through supervised fine-tuning and tree search. We construct CoT-stock-2k and CoT-legal-2k datasets for fine-tuning models that activate domain-specific reasoning steps based on their judgment. Additionally, we propose Selective Tree Exploration to spontaneously explore solution spaces and sample optimal reasoning paths to improve performance. We also introduce PROOF-Score, a new metric for evaluating domain models' explainability, complementing traditional accuracy metrics with richer assessment dimensions. Extensive experiments on stock investment recommendation and legal reasoning QA tasks demonstrate Domaino1s's leading performance and explainability. Our code is available at https://anonymous.4open.science/r/Domaino1s-006F/.

Spreadsheets are a vital tool for end-user data management. Using large language models for formula authoring assistance in these environments can be difficult, as these models are expensive to train and challenging to deploy due to their size (up to billions of parameters). We present FLAME, a transformer-based model trained exclusively on Excel formulas that leverages domain insights to achieve competitive performance while being substantially smaller (60M parameters) and training on two orders of magnitude less data. We curate a training dataset using sketch deduplication, introduce an Excel-specific formula tokenizer, and use domain-specific versions of masked span prediction and noisy auto-encoding as pre-training objectives. We evaluate FLAME on formula repair, formula completion, and similarity-based formula retrieval. FLAME can outperform much larger models, such as the Davinci (175B) and Cushman (12B) variants of Codex and CodeT5 (220M), in 10 of 14 evaluation settings for the repair and completion tasks. For formula retrieval, FLAME outperforms CodeT5, CodeBERT, and GraphCodeBERT.

Large language models (LLMs) can learn to perform a wide range of natural language tasks from just a handful of in-context examples. However, for generating strings from highly structured languages (e.g., semantic parsing to complex domain-specific languages), it is challenging for the LLM to generalize from just a few exemplars. We explore grammar prompting as a simple approach for enabling LLMs to use external knowledge and domain-specific constraints, expressed through a grammar expressed in Backus--Naur Form (BNF), during in-context learning. Grammar prompting augments each demonstration example with a specialized grammar that is minimally sufficient for generating the particular output example, where the specialized grammar is a subset of the full DSL grammar. For inference, the LLM first predicts a BNF grammar given a test input, and then generates the output according to the rules of the grammar. Experiments demonstrate that grammar prompting can enable LLMs to perform competitively on a diverse set of DSL generation tasks, including semantic parsing (SMCalFlow, Overnight, GeoQuery), PDDL planning, and even molecule generation (SMILES).

Embedding models play a crucial role in representing and retrieving information across various NLP applications. Recent advancements in Large Language Models (LLMs) have further enhanced the performance of embedding models, which are trained on massive amounts of text covering almost every domain. These models are often benchmarked on general-purpose datasets like Massive Text Embedding Benchmark (MTEB), where they demonstrate superior performance. However, a critical question arises: Is the development of domain-specific embedding models necessary when general-purpose models are trained on vast corpora that already include specialized domain texts? In this paper, we empirically investigate this question, choosing the finance domain as an example. We introduce the Finance Massive Text Embedding Benchmark (FinMTEB), a counterpart to MTEB that consists of financial domain-specific text datasets. We evaluate the performance of seven state-of-the-art embedding models on FinMTEB and observe a significant performance drop compared to their performance on MTEB. To account for the possibility that this drop is driven by FinMTEB's higher complexity, we propose four measures to quantify dataset complexity and control for this factor in our analysis. Our analysis provides compelling evidence that state-of-the-art embedding models struggle to capture domain-specific linguistic and semantic patterns, even when trained on large general-purpose corpora. This study sheds light on the necessity of developing domain-specific embedding models in the LLM era, offering valuable insights for researchers and practitioners.

Pretraining Large Language Models (LLMs) on large corpora of textual data is now a standard paradigm. When using these LLMs for many downstream applications, it is common to additionally bake in new knowledge (e.g., time-critical news, or private domain knowledge) into the pretrained model either through RAG-based-prompting, or fine-tuning. However, the optimal methodology for the model to gain such new knowledge remains an open question. In this paper, we present Retrieval Augmented FineTuning (RAFT), a training recipe that improves the model's ability to answer questions in a "open-book" in-domain settings. In RAFT, given a question, and a set of retrieved documents, we train the model to ignore those documents that don't help in answering the question, which we call, distractor documents. RAFT accomplishes this by citing verbatim the right sequence from the relevant document that would help answer the question. This coupled with RAFT's chain-of-thought-style response helps improve the model's ability to reason. In domain-specific RAG, RAFT consistently improves the model's performance across PubMed, HotpotQA, and Gorilla datasets, presenting a post-training recipe to improve pre-trained LLMs to in-domain RAG. RAFT's code and demo are open-sourced at github.com/ShishirPatil/gorilla.

In this work, we discuss a recently popular type of recommender system: an LLM-based coding assistant. Connecting the task of providing code recommendations in multiple formats to traditional RecSys challenges, we outline several similarities and differences due to domain specifics. We emphasize the importance of providing relevant context to an LLM for this use case and discuss lessons learned from context enhancements & offline and online evaluation of such AI-assisted coding systems.

In recent times Large Language Models have exhibited tremendous capabilities, especially in the areas of mathematics, code generation and general-purpose reasoning. However for specialized domains especially in applications that require parsing and analyzing large chunks of numeric or tabular data even state-of-the-art (SOTA) models struggle. In this paper, we introduce a new approach to solving domain-specific tabular data analysis tasks by presenting a unique RAG workflow that mitigates the scalability issues of existing tabular LLM solutions. Specifically, we present Tabular Embedding Model (TEM), a novel approach to fine-tune embedding models for tabular Retrieval-Augmentation Generation (RAG) applications. Embedding models form a crucial component in the RAG workflow and even current SOTA embedding models struggle as they are predominantly trained on textual datasets and thus underperform in scenarios involving complex tabular data. The evaluation results showcase that our approach not only outperforms current SOTA embedding models in this domain but also does so with a notably smaller and more efficient model structure.

We present the KL3M tokenizers, a family of specialized tokenizers for legal, financial, and governmental text. Despite established work on tokenization, specialized tokenizers for professional domains remain understudied. Our paper offers two main contributions to this area. First, we introduce domain-specific BPE tokenizers for legal, financial, and governmental text. Our kl3m-004-128k-cased tokenizer uses 9-17% fewer tokens than GPT-4o and Llama3 for domain-specific documents, despite having a smaller vocabulary. For specialized terminology, our cased tokenizer is even more efficient, using up to 83% fewer tokens for legal terms and 39% fewer tokens for financial terms. Second, we develop character-level BPE tokenizers (4K, 8K, and 16K vocabulary sizes) for text correction tasks like OCR post-processing. These tokenizers keep consistent token boundaries between error-containing and correct text, making it easier for models to learn correction patterns. These tokenizers help professional applications by fitting more text in context windows, reducing computational needs, and preserving the meaning of domain-specific terms. Our analysis shows these efficiency gains directly benefit the processing of long legal and financial documents. We release all tokenizers and code through GitHub and Hugging Face to support further research in specialized tokenization.

Language model applications are becoming increasingly popular and complex, often including features like tool usage and retrieval augmentation. However, existing frameworks for such applications are often opinionated, deciding for developers how their prompts ought to be formatted and imposing limitations on customizability and reproducibility. To solve this we present Kani: a lightweight, flexible, and model-agnostic open-source framework for building language model applications. Kani helps developers implement a variety of complex features by supporting the core building blocks of chat interaction: model interfacing, chat management, and robust function calling. All Kani core functions are easily overridable and well documented to empower developers to customize functionality for their own needs. Kani thus serves as a useful tool for researchers, hobbyists, and industry professionals alike to accelerate their development while retaining interoperability and fine-grained control.

Large language models (LLMs) have displayed massive improvements in reason- ing and decision-making skills and can hold natural conversations with users. Many recent works seek to augment LLM-based assistants with external tools so they can access private or up-to-date information and carry out actions on behalf of users. To better measure the performance of these assistants, this paper introduces ToolTalk, a benchmark consisting of complex user intents re- quiring multi-step tool usage specified through dialogue. ToolTalk contains 28 tools grouped into 7 plugins, and includes a complete simulated implementa- tion of each tool, allowing for fully automated evaluation of assistants that rely on execution feedback. ToolTalk also emphasizes tools that externally affect the world rather than only tools for referencing or searching information. We evaluate GPT-3.5 and GPT-4 on ToolTalk resulting in success rates of 26% and 50% respectively. Our analysis of the errors reveals three major categories and suggests some future directions for improvement. We release ToolTalk at https://github.com/microsoft/ToolTalk.

Current general-purpose large language models (LLMs) commonly exhibit knowledge hallucination and insufficient domain-specific adaptability in domain-specific tasks, limiting their effectiveness in specialized question answering scenarios. Retrieval-augmented generation (RAG) effectively tackles these challenges by integrating external knowledge to enhance accuracy and relevance. However, traditional RAG still faces limitations in domain knowledge accuracy and context modeling.To enhance domain-specific question answering performance, this work focuses on a graph-based RAG framework, emphasizing the critical role of knowledge graph quality during the generation process. We propose DSRAG (Domain-Specific RAG), a multimodal knowledge graph-driven retrieval-augmented generation framework designed for domain-specific applications. Our approach leverages domain-specific documents as the primary knowledge source, integrating heterogeneous information such as text, images, and tables to construct a multimodal knowledge graph covering both conceptual and instance layers. Building on this foundation, we introduce semantic pruning and structured subgraph retrieval mechanisms, combining knowledge graph context and vector retrieval results to guide the language model towards producing more reliable responses. Evaluations using the Langfuse multidimensional scoring mechanism show that our method excels in domain-specific question answering, validating the efficacy of integrating multimodal knowledge graphs with retrieval-augmented generation.

One of the most reliable ways to create deployable models for specialized tasks is to obtain an adequate amount of high-quality task-specific data. However, for specialized tasks, often such datasets do not exist. Existing methods address this by creating such data from large language models (LLMs) and then distilling such knowledge into smaller models. However, these methods are limited by the quality of the LLMs output, and tend to generate repetitive or incorrect data. In this work, we present Retrieval Based Distillation (ReBase), a method that first retrieves data from rich online sources and then transforms them into domain-specific data. This method greatly enhances data diversity. Moreover, ReBase generates Chain-of-Thought reasoning and distills the reasoning capacity of LLMs. We test our method on 4 benchmarks and results show that our method significantly improves performance by up to 7.8% on SQuAD, 1.37% on MNLI, and 1.94% on BigBench-Hard.

Ontologies and taxonomies of research fields are critical for managing and organising scientific knowledge, as they facilitate efficient classification, dissemination and retrieval of information. However, the creation and maintenance of such ontologies are expensive and time-consuming tasks, usually requiring the coordinated effort of multiple domain experts. Consequently, ontologies in this space often exhibit uneven coverage across different disciplines, limited inter-domain connectivity, and infrequent updating cycles. In this study, we investigate the capability of several large language models to identify semantic relationships among research topics within three academic domains: biomedicine, physics, and engineering. The models were evaluated under three distinct conditions: zero-shot prompting, chain-of-thought prompting, and fine-tuning on existing ontologies. Additionally, we assessed the cross-domain transferability of fine-tuned models by measuring their performance when trained in one domain and subsequently applied to a different one. To support this analysis, we introduce PEM-Rel-8K, a novel dataset consisting of over 8,000 relationships extracted from the most widely adopted taxonomies in the three disciplines considered in this study: MeSH, PhySH, and IEEE. Our experiments demonstrate that fine-tuning LLMs on PEM-Rel-8K yields excellent performance across all disciplines.

Code benchmarks such as HumanEval are widely adopted to evaluate the capabilities of Large Language Models (LLMs), providing insights into their strengths and weaknesses. However, current benchmarks primarily exercise LLMs' capability on common coding tasks (e.g., bubble sort, greatest common divisor), leaving domain-specific coding tasks (e.g., computation, system, cryptography) unexplored. To fill this gap, we propose a multi-domain code benchmark, DOMAINEVAL, designed to evaluate LLMs' coding capabilities thoroughly. Our pipeline works in a fully automated manner, enabling a push-bottom construction from code repositories into formatted subjects under study. Interesting findings are observed by evaluating 12 representative LLMs against DOMAINEVAL. We notice that LLMs are generally good at computation tasks while falling short on cryptography and system coding tasks. The performance gap can be as much as 68.94% (80.94% - 12.0%) in some LLMs. We also observe that generating more samples can increase the overall performance of LLMs, while the domain bias may even increase. The contributions of this study include a code generation benchmark dataset DOMAINEVAL, encompassing six popular domains, a fully automated pipeline for constructing code benchmarks, and an identification of the limitations of LLMs in code generation tasks based on their performance on DOMAINEVAL, providing directions for future research improvements. The leaderboard is available at https://domaineval.github.io/.

Language models have proven to be very useful when adapted to specific domains. Nonetheless, little research has been done on the adaptation of domain-specific BERT models in the French language. In this paper, we focus on creating a language model adapted to French legal text with the goal of helping law professionals. We conclude that some specific tasks do not benefit from generic language models pre-trained on large amounts of data. We explore the use of smaller architectures in domain-specific sub-languages and their benefits for French legal text. We prove that domain-specific pre-trained models can perform better than their equivalent generalised ones in the legal domain. Finally, we release JuriBERT, a new set of BERT models adapted to the French legal domain.

Tool learning has emerged as a promising direction by extending Large Language Models' (LLMs) capabilities with external tools. Existing tool learning studies primarily focus on the general-purpose tool-use capability, which addresses explicit user requirements in instructions. However, they overlook the importance of personalized tool-use capability, leading to an inability to handle implicit user preferences. To address the limitation, we first formulate the task of personalized tool learning, which integrates user's interaction history towards personalized tool usage. To fill the gap of missing benchmarks, we construct PEToolBench, featuring diverse user preferences reflected in interaction history under three distinct personalized settings, and encompassing a wide range of tool-use scenarios. Moreover, we propose a framework PEToolLLaMA to adapt LLMs to the personalized tool learning task, which is trained through supervised fine-tuning and direct preference optimization. Extensive experiments on PEToolBench demonstrate the superiority of PEToolLLaMA over existing LLMs.

External tool integration through function-calling is essential for practical language model applications, yet most multilingual models lack reliable tool-use capabilities in non-English languages. Even state-of-the-art multilingual models struggle with determining when to use tools and generating the structured outputs required for function calls, often exhibiting language confusion when prompted in lower-resource languages. This work presents a methodology for adapting existing language models to enable robust tool use in any target language, using Bulgarian as a case study. The approach involves continued training of the BgGPT model series (2.6B, 9B, 27B parameters) on a novel bilingual dataset of 10,035 function-calling examples designed to support standardized protocols like MCP (Model Context Protocol). The research introduces TUCAN (Tool-Using Capable Assistant Navigator), which achieves up to 28.75% improvement in function-calling accuracy over base models while preserving core language understanding, as verified on established Bulgarian benchmarks. Beyond accuracy gains, TUCAN models demonstrate production-ready response formatting with clean, parsable function calls, contrasting with the verbose and inconsistent outputs of base models. The models, evaluation framework, and dataset are released to enable replication for other languages. This work demonstrates a practical approach for extending tool-augmented capabilities beyond English-centric systems.

We introduce AnyTool, a large language model agent designed to revolutionize the utilization of a vast array of tools in addressing user queries. We utilize over 16,000 APIs from Rapid API, operating under the assumption that a subset of these APIs could potentially resolve the queries. AnyTool primarily incorporates three elements: an API retriever with a hierarchical structure, a solver aimed at resolving user queries using a selected set of API candidates, and a self-reflection mechanism, which re-activates AnyTool if the initial solution proves impracticable. AnyTool is powered by the function calling feature of GPT-4, eliminating the need for training external modules. We also revisit the evaluation protocol introduced by previous works and identify a limitation in this protocol that leads to an artificially high pass rate. By revising the evaluation protocol to better reflect practical application scenarios, we introduce an additional benchmark, termed AnyToolBench. Experiments across various datasets demonstrate the superiority of our AnyTool over strong baselines such as ToolLLM and a GPT-4 variant tailored for tool utilization. For instance, AnyTool outperforms ToolLLM by +35.4% in terms of average pass rate on ToolBench. Code will be available at https://github.com/dyabel/AnyTool.

Few-Shot Cross-Domain NER is the process of leveraging knowledge from data-rich source domains to perform entity recognition on data scarce target domains. Most previous state-of-the-art (SOTA) approaches use pre-trained language models (PLMs) for cross-domain NER. However, these models are often domain specific. To successfully use these models for new target domains, we need to modify either the model architecture or perform model finetuning using data from the new domains. Both of these result in the creation of entirely new NER models for each target domain which is infeasible for practical scenarios. Recently,several works have attempted to use LLMs to solve Few-Shot Cross-Domain NER. However, most of these are either too expensive for practical purposes or struggle to follow LLM prompt instructions. In this paper, we propose IF-WRANER (Instruction Finetuned Word-embedding based Retrieval Augmented large language model for Named Entity Recognition), a retrieval augmented LLM, finetuned for the NER task. By virtue of the regularization techniques used during LLM finetuning and the adoption of word-level embedding over sentence-level embedding during the retrieval of in-prompt examples, IF-WRANER is able to outperform previous SOTA Few-Shot Cross-Domain NER approaches. We have demonstrated the effectiveness of our model by benchmarking its performance on the open source CrossNER dataset, on which it shows more than 2% F1 score improvement over the previous SOTA model. We have deployed the model for multiple customer care domains of an enterprise. Accurate entity prediction through IF-WRANER helps direct customers to automated workflows for the domains, thereby reducing escalations to human agents by almost 15% and leading to millions of dollars in yearly savings for the company.

Large language models (LLMs) have the remarkable ability to solve new tasks with just a few examples, but they need access to the right tools. Retrieval Augmented Generation (RAG) addresses this problem by retrieving a list of relevant tools for a given task. However, RAG's tool retrieval step requires all the required information to be explicitly present in the query. This is a limitation, as semantic search, the widely adopted tool retrieval method, can fail when the query is incomplete or lacks context. To address this limitation, we propose Context Tuning for RAG, which employs a smart context retrieval system to fetch relevant information that improves both tool retrieval and plan generation. Our lightweight context retrieval model uses numerical, categorical, and habitual usage signals to retrieve and rank context items. Our empirical results demonstrate that context tuning significantly enhances semantic search, achieving a 3.5-fold and 1.5-fold improvement in Recall@K for context retrieval and tool retrieval tasks respectively, and resulting in an 11.6% increase in LLM-based planner accuracy. Additionally, we show that our proposed lightweight model using Reciprocal Rank Fusion (RRF) with LambdaMART outperforms GPT-4 based retrieval. Moreover, we observe context augmentation at plan generation, even after tool retrieval, reduces hallucination.

Generic pre-trained neural networks may struggle to produce good results in specialized domains like finance and insurance. This is due to a domain mismatch between training data and downstream tasks, as in-domain data are often scarce due to privacy constraints. In this work, we compare different pre-training strategies for LayoutLM. We show that using domain-relevant documents improves results on a named-entity recognition (NER) problem using a novel dataset of anonymized insurance-related financial documents called Payslips. Moreover, we show that we can achieve competitive results using a smaller and faster model.

Specializing LLMs in various domain-specific tasks has emerged as a critical step towards achieving high performance. However, the construction and annotation of datasets in specific domains are always very costly. Apart from using superior and expensive closed-source LLM APIs to construct datasets, some open-source models have become strong enough to handle dataset construction in many scenarios. Thus, we present a family of data augmentation models designed to significantly improve the efficiency for model fine-tuning. These models, trained based on sufficiently small LLMs, support key functionalities with low inference costs: instruction expansion, instruction refinement, and instruction-response pair expansion. To fulfill this goal, we first construct an automatic data collection system with seed datasets generated from both public repositories and our in-house datasets. This system leverages powerful LLMs to expand, refine and re-write the instructions and responses, incorporating quality assessment techniques. Following this, we introduce the training process of our models, which effectively distills task-solving and text synthesis abilities from teacher LLMs. Finally, we demonstrate how we integrate these functionalities into a machine learning platform to support low-cost LLM fine-tuning from both dataset preparation and training perspectives for users. Experiments and an application study prove the effectiveness of our approach.

The growing demand for Domain-Specific Architecture (DSA) has driven the development of Agile Hardware Development Methodology (AHDM). Hardware Construction Language (HCL) like Chisel offers high-level abstraction features, making it an ideal language for HCL-Based AHDM. While Large Language Models (LLMs) excel in code generation tasks, they still face challenges with Chisel generation, particularly regarding syntax correctness and design variability. Recent reasoning models have significantly enhanced code generation capabilities through test-time scaling techniques. However, we found that reasoning models without domain adaptation cannot bring substantial benefits to Chisel code generation tasks. This paper presents ChiseLLM, a solution comprising data processing and transformation, prompt-guided reasoning trace synthesis, and domain-adapted model training. We constructed high-quality datasets from public RTL code resources and guided the model to adopt structured thinking patterns through prompt enhancement methods. Experiments demonstrate that our ChiseLLM-7B and ChiseLLM-32B models improved syntax correctness by 18.85% and 26.32% respectively over base models, while increasing variability design ability by 47.58% compared to baseline reasoning models. Our datasets and models are publicly available, providing high-performance, cost-effective models for HCL-Based AHDM, and offering an effective baseline for future research. Github repository: https://github.com/observerw/ChiseLLM

We study question answering in the domain of radio regulations, a legally sensitive and high-stakes area. We propose a telecom-specific Retrieval-Augmented Generation (RAG) pipeline and introduce, to our knowledge, the first multiple-choice evaluation set for this domain, constructed from authoritative sources using automated filtering and human validation. To assess retrieval quality, we define a domain-specific retrieval metric, under which our retriever achieves approximately 97% accuracy. Beyond retrieval, our approach consistently improves generation accuracy across all tested models. In particular, while naively inserting documents without structured retrieval yields only marginal gains for GPT-4o (less than 1%), applying our pipeline results in nearly a 12% relative improvement. These findings demonstrate that carefully targeted grounding provides a simple yet strong baseline and an effective domain-specific solution for regulatory question answering. All code and evaluation scripts, along with our derived question-answer dataset, are available at https://github.com/Zakaria010/Radio-RAG.

Domain specific question answering is an evolving field that requires specialized solutions to address unique challenges. In this paper, we show that a hybrid approach combining a fine-tuned dense retriever with keyword based sparse search methods significantly enhances performance. Our system leverages a linear combination of relevance signals, including cosine similarity from dense retrieval, BM25 scores, and URL host matching, each with tunable boost parameters. Experimental results indicate that this hybrid method outperforms our single-retriever system, achieving improved accuracy while maintaining robust contextual grounding. These findings suggest that integrating multiple retrieval methodologies with weighted scoring effectively addresses the complexities of domain specific question answering in enterprise settings.

Large language models (LLMs) have demonstrated strong capabilities in language understanding and reasoning, yet they remain limited when tackling real-world tasks that require up-to-date knowledge, precise operations, or specialized tool use. To address this, we propose Tool-R1, a reinforcement learning framework that enables LLMs to perform general, compositional, and multi-step tool use by generating executable Python code. Tool-R1 supports integration of user-defined tools and standard libraries, with variable sharing across steps to construct coherent workflows. An outcome-based reward function, combining LLM-based answer judgment and code execution success, guides policy optimization. To improve training efficiency, we maintain a dynamic sample queue to cache and reuse high-quality trajectories, reducing the overhead of costly online sampling. Experiments on the GAIA benchmark show that Tool-R1 substantially improves both accuracy and robustness, achieving about 10\% gain over strong baselines, with larger improvements on complex multi-step tasks. These results highlight the potential of Tool-R1 for enabling reliable and efficient tool-augmented reasoning in real-world applications. Our code will be available at https://github.com/YBYBZhang/Tool-R1.

This technical report details a novel approach to combining reasoning and retrieval augmented generation (RAG) within a single, lean language model architecture. While existing RAG systems typically rely on large-scale models and external APIs, our work addresses the increasing demand for performant and privacy-preserving solutions deployable in resource-constrained or secure environments. Building on recent developments in test-time scaling and small-scale reasoning models, we develop a retrieval augmented conversational agent capable of interpreting complex, domain-specific queries using a lightweight backbone model. Our system integrates a dense retriever with fine-tuned Qwen2.5-Instruct models, using synthetic query generation and reasoning traces derived from frontier models (e.g., DeepSeek-R1) over a curated corpus, in this case, the NHS A-to-Z condition pages. We explore the impact of summarisation-based document compression, synthetic data design, and reasoning-aware fine-tuning on model performance. Evaluation against both non-reasoning and general-purpose lean models demonstrates that our domain-specific fine-tuning approach yields substantial gains in answer accuracy and consistency, approaching frontier-level performance while remaining feasible for local deployment. All implementation details and code are publicly released to support reproducibility and adaptation across domains.

Recently, the development of large language models (LLMs) has attracted wide attention in academia and industry. Deploying LLMs to real scenarios is one of the key directions in the current Internet industry. In this paper, we present a novel pipeline to apply LLMs for domain-specific question answering (QA) that incorporates domain knowledge graphs (KGs), addressing an important direction of LLM application. As a real-world application, the content generated by LLMs should be user-friendly to serve the customers. Additionally, the model needs to utilize domain knowledge properly to generate reliable answers. These two issues are the two major difficulties in the LLM application as vanilla fine-tuning can not adequately address them. We think both requirements can be unified as the model preference problem that needs to align with humans to achieve practical application. Thus, we introduce Knowledgeable Preference AlignmenT (KnowPAT), which constructs two kinds of preference set called style preference set and knowledge preference set respectively to tackle the two issues. Besides, we design a new alignment objective to align the LLM preference with human preference, aiming to train a better LLM for real-scenario domain-specific QA to generate reliable and user-friendly answers. Adequate experiments and comprehensive with 15 baseline methods demonstrate that our KnowPAT is an outperforming pipeline for real-scenario domain-specific QA with LLMs. Our code is open-source at https://github.com/zjukg/KnowPAT.

Retrieval Augmented Generation (RAG) system is important in domains such as e-commerce, which has many long-tail entities and frequently updated information. Most existing works adopt separate modules for retrieval and generation, which may be suboptimal since the retrieval task and the generation task cannot benefit from each other to improve performance. We propose a novel Backbone Shared RAG framework (BSharedRAG). It first uses a domain-specific corpus to continually pre-train a base model as a domain-specific backbone model and then trains two plug-and-play Low-Rank Adaptation (LoRA) modules based on the shared backbone to minimize retrieval and generation losses respectively. Experimental results indicate that our proposed BSharedRAG outperforms baseline models by 5% and 13% in Hit@3 upon two datasets in retrieval evaluation and by 23% in terms of BLEU-3 in generation evaluation. Our codes, models, and dataset are available at https://bsharedrag.github.io.

Recent code large language models (LLMs) have shown promising performance in generating standalone functions but face limitations in repository-level code generation due to their lack of awareness of repository-level dependencies (e.g., user-defined attributes), resulting in dependency errors such as undefined-variable and no-member errors. In this work, we introduce ToolGen, an approach that integrates autocompletion tools into the code LLM generation process to address these dependencies. ToolGen comprises two main phases: Trigger Insertion and Model Fine-tuning (Offline), and Tool-integrated Code Generation (Online). During the offline phase, ToolGen augments functions within a given code corpus with a special mark token, indicating positions to trigger autocompletion tools. These augmented functions, along with their corresponding docstrings, are then used to fine-tune a selected code LLM. In the online phase, ToolGen iteratively generates functions by predicting tokens step-by-step using the fine-tuned LLM. Whenever a mark token is encountered, ToolGen invokes the autocompletion tool to suggest code completions and selects the most appropriate one. We conduct comprehensive experiments to evaluate ToolGen's effectiveness in repository-level code generation. To facilitate this evaluation, we create a benchmark comprising 680 real-world code repositories and introduce two new repository-level metrics: Dependency Coverage and Static Validity Rate. The results demonstrate that ToolGen significantly improves Dependency Coverage by 15.2% to 45.8% and Static Validity Rate by 10.9% to 42.2% across three distinct code LLMs, while maintaining competitive performance in widely-recognized similarity metrics. Furthermore, our generalizability evaluation confirms ToolGen's consistent performance when applied to diverse code LLMs, including various model architectures and scales.

Virtual assistants such as Google Assistant, Amazon Alexa, and Apple Siri enable users to interact with a large number of services and APIs on the web using natural language. In this work, we investigate two methods for Natural Language Generation (NLG) using a single domain-independent model across a large number of APIs. First, we propose a schema-guided approach which conditions the generation on a schema describing the API in natural language. Our second method investigates the use of a small number of templates, growing linearly in number of slots, to convey the semantics of the API. To generate utterances for an arbitrary slot combination, a few simple templates are first concatenated to give a semantically correct, but possibly incoherent and ungrammatical utterance. A pre-trained language model is subsequently employed to rewrite it into coherent, natural sounding text. Through automatic metrics and human evaluation, we show that our method improves over strong baselines, is robust to out-of-domain inputs and shows improved sample efficiency.

We present SParC, a dataset for cross-domainSemanticParsing inContext that consists of 4,298 coherent question sequences (12k+ individual questions annotated with SQL queries). It is obtained from controlled user interactions with 200 complex databases over 138 domains. We provide an in-depth analysis of SParC and show that it introduces new challenges compared to existing datasets. SParC demonstrates complex contextual dependencies, (2) has greater semantic diversity, and (3) requires generalization to unseen domains due to its cross-domain nature and the unseen databases at test time. We experiment with two state-of-the-art text-to-SQL models adapted to the context-dependent, cross-domain setup. The best model obtains an exact match accuracy of 20.2% over all questions and less than10% over all interaction sequences, indicating that the cross-domain setting and the con-textual phenomena of the dataset present significant challenges for future research. The dataset, baselines, and leaderboard are released at https://yale-lily.github.io/sparc.