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.

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy discovery remains a complex challenge, often requiring expertise in the various domains of materials science, thermodynamic simulations, and experimental analysis. Large Language Model (LLM) enabled agents can facilitate this endeavor by utilizing their extensive knowledge base to dispatch tool calls via Model Context Protocol (MCP) to perform actions such as Thermo-Calc property diagram calculations and lack of fusion process map generation. In addition, the multi-agent system developed in this work is able to effectively reason through complex user prompts and provide analysis on the printability of proposed alloys. These agents can dynamically adjust their task trajectory to the outcomes of tool call results, effectively enabling autonomous decision-making in practical environments. This work aims to utilize LLM enabled agents to automate and accelerate the task of alloy discovery within the field of additive manufacturing and showcase the benefits of adopting this multi-agent system.

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.

Retrieval Augmented Generation (RAG) has made significant strides in overcoming key limitations of large language models, such as hallucination, lack of contextual grounding, and issues with transparency. However, traditional RAG systems consist of three interconnected neural components - the retriever, re-ranker, and generator - whose internal reasoning processes remain opaque. This lack of transparency complicates interpretability, hinders debugging efforts, and erodes trust, especially in high-stakes domains where clear decision-making is essential. To address these challenges, we introduce the concept of Neurosymbolic RAG, which integrates symbolic reasoning using a knowledge graph with neural retrieval techniques. This new framework aims to answer two primary questions: (a) Can retrievers provide a clear and interpretable basis for document selection? (b) Can symbolic knowledge enhance the clarity of the retrieval process? We propose three methods to improve this integration. First is MAR (Knowledge Modulation Aligned Retrieval) that employs modulation networks to refine query embeddings using interpretable symbolic features, thereby making document matching more explicit. Second, KG-Path RAG enhances queries by traversing knowledge graphs to improve overall retrieval quality and interpretability. Lastly, Process Knowledge-infused RAG utilizes domain-specific tools to reorder retrieved content based on validated workflows. Preliminary results from mental health risk assessment tasks indicate that this neurosymbolic approach enhances both transparency and overall performance

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.

We present STAgent, an agentic large language model tailored for spatio-temporal understanding, designed to solve complex tasks such as constrained point-of-interest discovery and itinerary planning. STAgent is a specialized model capable of interacting with ten distinct tools within spatio-temporal scenarios, enabling it to explore, verify, and refine intermediate steps during complex reasoning. Notably, STAgent effectively preserves its general capabilities. We empower STAgent with these capabilities through three key contributions: (1) a stable tool environment that supports over ten domain-specific tools, enabling asynchronous rollout and training; (2) a hierarchical data curation framework that identifies high-quality data like a needle in a haystack, curating high-quality queries by retaining less than 1\% of the raw data, emphasizing both diversity and difficulty; and (3) a cascaded training recipe that starts with a seed SFT stage acting as a guardian to measure query difficulty, followed by a second SFT stage fine-tuned on queries with high certainty, and an ultimate RL stage that leverages data of low certainty. Initialized with Qwen3-30B-A3B to establish a strong SFT foundation and leverage insights into sample difficulty, STAgent yields promising performance on TravelBench while maintaining its general capabilities across a wide range of general benchmarks, thereby demonstrating the effectiveness of our proposed agentic model.

The recent paradigm shift toward large reasoning models (LRMs) as autonomous agents has intensified the demand for sophisticated, multi-turn tool-use capabilities. Yet, existing datasets and data-generation approaches are limited by static, predefined toolsets that cannot scale to the complexity of open-ended human-agent collaboration. To address this, we initially developed a framework for automated task-oriented multi-turn dialogue generation at scale, utilizing an LRM-based simulator to dynamically generate high-value, domain-specific tools to solve specified tasks. However, we observe that a purely task-oriented design often results in "solely task-solving" trajectories, where the agent completes the objective with minimal interaction, failing to generate the high turn-count conversations seen in realistic scenarios. To bridge this gap, we shift toward a user-oriented simulation paradigm. By decoupling task generation from a dedicated user simulator that mimics human behavioral rules - such as incremental request-making and turn-by-turn feedback - we facilitate more authentic, extended multi-turn dialogues that reflect the iterative nature of real-world problem solving. Our generation pipeline operates as a versatile, plug-and-play module capable of initiating generation from any state, ensuring high scalability in producing extended tool-use data. Furthermore, by facilitating multiple task completions within a single trajectory, it yields a high-density dataset that reflects the multifaceted demands of real-world human-agent interaction.

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.

Scientific reasoning inherently demands integrating sophisticated toolkits to navigate domain-specific knowledge. Yet, current benchmarks largely overlook agents' ability to orchestrate tools for such rigorous workflows. To bridge this gap, we introduce SciAgentGym, a scalable interactive environment featuring 1,780 domain-specific tools across four natural science disciplines, supported by a robust execution infrastructure. Complementing this, we present SciAgentBench, a tiered evaluation suite designed to stress-test agentic capabilities from elementary actions to long-horizon workflows. Our evaluation identifies a critical bottleneck: state-of-the-art models struggle with complex scientific tool-use. Even for a leading model like GPT-5, success rates drop sharply from 60.6% to 30.9% as interaction horizons extend, primarily due to failures in multi-step workflow execution. To address this, we propose SciForge, a data synthesis method that models the tool action space as a dependency graph to generate logic-aware training trajectories. By fine-tuning on these trajectories, our SciAgent-8B outperforms the significantly larger Qwen3-VL-235B-Instruct while exhibiting positive cross-domain transfer of scientific tool-use capabilities. These results underscore the promising potential of next-generation autonomous scientific agents.

Clinical reasoning demands multi-step interactions -- gathering patient history, ordering tests, interpreting results, and making safe treatment decisions -- yet a unified training environment provides the breadth of clinical domains and specialized tools to train generalizable medical AI agents through reinforcement learning remains elusive. We present a comprehensive empirical study of multi-turn agentic RL for medical AI, built on , a gymnasium-compatible environment spanning 10 clinical domains with 3.6K+ tasks, 135 domain-specific tools, and a knowledge base of 828K medical passages. Our analysis reveals that agentic multi-turn structure degrades into verbose single-turn monologues, characterized by monotonic length explosion and a simultaneous erosion of tool-use frequency. We characterize how this collapse, alongside distillation instability, stems from the misalignment of sparse terminal rewards with sequential clinical trajectories. We find that vanilla GRPO achieves strong final accuracy on some benchmarks but suffers from training instability, evidenced by significant oscillations in response length and prolonged convergence periods. To improve training efficiency and stability, we propose Turn-level Truncated On-Policy Distillation (TT-OPD), a self-distillation framework where a gradient-free EMA teacher leverages outcome-privileged information to provide dense, outcome-aware KL regularization at every conversation turn. TT-OPD achieves the best performance on 10 of 18 benchmarks with an average +3.9~pp improvement over the non-RL baseline with faster early convergence, controlled response length, and sustained multi-turn tool use.

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.

Even though demonstrating extraordinary capabilities in code generation and software issue resolving, AI agents' capabilities in the full software DevOps cycle are still unknown. Different from pure code generation, handling the DevOps cycle in real-world software, including developing, deploying, and managing, requires analyzing large-scale projects, understanding dynamic program behaviors, leveraging domain-specific tools, and making sequential decisions. However, existing benchmarks focus on isolated problems and lack environments and tool interfaces for DevOps. We introduce DevOps-Gym, the first end-to-end benchmark for evaluating AI agents across core DevOps workflows: build and configuration, monitoring, issue resolving, and test generation. DevOps-Gym includes 700+ real-world tasks collected from 30+ projects in Java and Go. We develop a semi-automated data collection mechanism with rigorous and non-trivial expert efforts in ensuring the task coverage and quality. Our evaluation of state-of-the-art models and agents reveals fundamental limitations: they struggle with issue resolving and test generation in Java and Go, and remain unable to handle new tasks such as monitoring and build and configuration. These results highlight the need for essential research in automating the full DevOps cycle with AI agents.

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.

Large language models (LLMs) have proven to work well in question-answering scenarios, but real-world applications often require access to tools for live information or actuation. For this, LLMs can be extended with tools, which are often defined in advance, also allowing for some fine-tuning for specific use cases. However, rapidly evolving software landscapes and individual services require the constant development and integration of new tools. Domain- or company-specific tools can greatly elevate the usefulness of an LLM, but such custom tools can be problematic to integrate, or the LLM may fail to reliably understand and use them. For this, we need strategies to define new tools and integrate them into the LLM dynamically, as well as robust and scalable zero-shot prompting methods that can make use of those tools in an efficient manner. In this paper, we present SAGE, a specialized conversational AI interface, based on the OPACA framework for tool discovery and execution. The integration with OPACA makes it easy to add new tools or services for the LLM to use, while SAGE itself presents rich extensibility and modularity. This not only provides the ability to seamlessly switch between different models (e.g. GPT, LLAMA), but also to add and select prompting methods, involving various setups of differently prompted agents for selecting and executing tools and evaluating the results. We implemented a number of task-solving strategies, making use of agentic concepts and prompting methods in various degrees of complexity, and evaluated those against a comprehensive set of benchmark services. The results are promising and highlight the distinct strengths and weaknesses of different task-solving strategies. Both SAGE and the OPACA framework, as well as the different benchmark services and results, are available as Open Source/Open Data on GitHub.

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.

Pavement condition assessment is essential for road safety and maintenance. Existing research has made significant progress. However, most studies focus on conventional computer vision tasks such as classification, detection, and segmentation. In real-world applications, pavement inspection requires more than visual recognition. It also requires quantitative analysis, explanation, and interactive decision support. Current datasets are limited. They focus on unimodal perception. They lack support for multi-turn interaction and fact-grounded reasoning. They also do not connect perception with vision-language analysis. To address these limitations, we introduce PaveBench, a large-scale benchmark for pavement distress perception and interactive vision-language analysis on real-world highway inspection images. PaveBench supports four core tasks: classification, object detection, semantic segmentation, and vision-language question answering. It provides unified task definitions and evaluation protocols. On the visual side, PaveBench provides large-scale annotations and includes a curated hard-distractor subset for robustness evaluation. It contains a large collection of real-world pavement images. On the multimodal side, we introduce PaveVQA, a real-image question answering (QA) dataset that supports single-turn, multi-turn, and expert-corrected interactions. It covers recognition, localization, quantitative estimation, and maintenance reasoning. We evaluate several state-of-the-art methods and provide a detailed analysis. We also present a simple and effective agent-augmented visual question answering framework that integrates domain-specific models as tools alongside vision-language models. The dataset is available at: https://huggingface.co/datasets/MML-Group/PaveBench.

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.

AI agents that interact with their environments through tools enable powerful applications, but in high-stakes business settings, unintended actions can cause unacceptable harm, such as privacy breaches and financial loss. Existing mitigations, such as training-based methods and neural guardrails, improve agent reliability but cannot provide guarantees. We study symbolic guardrails as a practical path toward strong safety and security guarantees for AI agents. Our three-part study includes a systematic review of 80 state-of-the-art agent safety and security benchmarks to identify the policies they evaluate, an analysis of which policy requirements can be guaranteed by symbolic guardrails, and an evaluation of how symbolic guardrails affect safety, security, and agent success on τ^2-Bench, CAR-bench, and MedAgentBench. We find that 85\% of benchmarks lack concrete policies, relying instead on underspecified high-level goals or common sense. Among the specified policies, 74\% of policy requirements can be enforced by symbolic guardrails, often using simple, low-cost mechanisms. These guardrails improve safety and security without sacrificing agent utility. Overall, our results suggest that symbolic guardrails are a practical and effective way to guarantee some safety and security requirements, especially for domain-specific AI agents. We release all codes and artifacts at https://github.com/hyn0027/agent-symbolic-guardrails.

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 integration of large language models (LLMs) with external tools has significantly expanded the capabilities of AI agents. However, as the diversity of both LLMs and tools increases, selecting the optimal model-tool combination becomes a high-dimensional optimization challenge. Existing approaches often rely on a single model or fixed tool-calling logic, failing to exploit the performance variations across heterogeneous model-tool pairs. In this paper, we present ATLAS (Adaptive Tool-LLM Alignment and Synergistic Invocation), a dual-path framework for dynamic tool usage in cross-domain complex reasoning. ATLAS operates via a dual-path approach: (1) training-free cluster-based routing that exploits empirical priors for domain-specific alignment, and (2) RL-based multi-step routing that explores autonomous trajectories for out-of-distribution generalization. Extensive experiments across 15 benchmarks demonstrate that our method outperforms closed-source models like GPT-4o, surpassing existing routing methods on both in-distribution (+10.1%) and out-of-distribution (+13.1%) tasks. Furthermore, our framework shows significant gains in visual reasoning by orchestrating specialized multi-modal tools.

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

Current financial large language models (FinLLMs) struggle with two critical limitations: the absence of objective evaluation metrics to assess the quality of stock analysis reports and a lack of depth in stock analysis, which impedes their ability to generate professional-grade insights. To address these challenges, this paper introduces FinSphere, a stock analysis agent, along with three major contributions: (1) AnalyScore, a systematic evaluation framework for assessing stock analysis quality, (2) Stocksis, a dataset curated by industry experts to enhance LLMs' stock analysis capabilities, and (3) FinSphere, an AI agent that can generate high-quality stock analysis reports in response to user queries. Experiments demonstrate that FinSphere achieves superior performance compared to both general and domain-specific LLMs, as well as existing agent-based systems, even when they are enhanced with real-time data access and few-shot guidance. The integrated framework, which combines real-time data feeds, quantitative tools, and an instruction-tuned LLM, yields substantial improvements in both analytical quality and practical applicability for real-world stock analysis.

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.

The connoisseurship of antique Chinese porcelain demands extensive historical expertise, material understanding, and aesthetic sensitivity, making it difficult for non-specialists to engage. To democratize cultural-heritage understanding and assist expert connoisseurship, we introduce CiQi-Agent -- a domain-specific Porcelain Connoisseurship Agent for intelligent analysis of antique Chinese porcelain. CiQi-Agent supports multi-image porcelain inputs and enables vision tool invocation and multimodal retrieval-augmented generation, performing fine-grained connoisseurship analysis across six attributes: dynasty, reign period, kiln site, glaze color, decorative motif, and vessel shape. Beyond attribute classification, it captures subtle visual details, retrieves relevant domain knowledge, and integrates visual and textual evidence to produce coherent, explainable connoisseurship descriptions. To achieve this capability, we construct a large-scale, expert-annotated dataset CiQi-VQA, comprising 29,596 porcelain specimens, 51,553 images, and 557,940 visual question--answering pairs, and further establish a comprehensive benchmark CiQi-Bench aligned with the previously mentioned six attributes. CiQi-Agent is trained through supervised fine-tuning, reinforcement learning, and a tool-augmented reasoning framework that integrates two categories of tools: a vision tool and multimodal retrieval tools. Experimental results show that CiQi-Agent (7B) outperforms all competitive open- and closed-source models across all six attributes on CiQi-Bench, achieving on average 12.2\% higher accuracy than GPT-5. The model and dataset have been released and are publicly available at https://huggingface.co/datasets/SII-Monument-Valley/CiQi-VQA.

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.

Function-calling agents -- large language models that invoke tools and APIs -- require high-quality, domain-specific training data spanning executable environments, backing databases, and diverse multi-turn trajectories. We introduce EigenData, an integrated, self-evolving platform that automates the full data lifecycle through a multi-agent architecture. A top-level orchestrator, EigenCore, coordinates three specialized sub-systems: DatabaseAgent for realistic domain database construction, CodingAgent for verified executable environment generation with iterative test-debug loops, and DataAgent for multi-turn trajectory synthesis with self-evolving prompt optimization. Cross-component feedback ensures consistency across all artifacts. We apply EigenData to audit and repair the Berkeley Function-Calling Leaderboard (BFCL-V3), identifying systematic errors in function schemas, implementations, and reference trajectories, automatically correcting them through coordinated schema refinement, code-level bug fixes, and trajectory modification, and introducing an outcome-aware evaluation protocol that assesses task success via database-state correctness rather than turn-level trajectory matching. We demonstrate that the repaired benchmark, coupled with outcome-aware metrics, produces model rankings substantially better correlated with human judgments of functional correctness.

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.

Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort to identify emerging patterns in how these systems can be used across the scientific research lifecycle. We organize the projects into two complementary categories: Knowledge Infrastructure, systems that structure, retrieve, synthesize, and validate scientific information; and Action Systems, systems that execute, coordinate, or automate scientific work across computational and experimental environments. The submissions reveal a shift from single-purpose LLM tools toward integrated, multi-agent workflows that combine retrieval, reasoning, tool use, and domain-specific validation. Prominent themes include retrieval-augmented generation as grounding infrastructure, persistent structured knowledge representations, multimodal and multilingual scientific inputs, and early progress toward laboratory-integrated closed-loop systems. Together, these results suggest that LLMs are evolving from general-purpose assistants into composable infrastructure for scientific reasoning and action. This work provides a community snapshot of that transition and a practical taxonomy for understanding emerging LLM-enabled workflows in materials science and chemistry.

Multimodal Large Language Models have shown promising capabilities in bridging visual and textual reasoning, yet their reasoning capabilities in Open-Vocabulary Human-Object Interaction (OV-HOI) are limited by cross-modal hallucinations and occlusion-induced ambiguity. To address this, we propose ImagineAgent, an agentic framework that harmonizes cognitive reasoning with generative imagination for robust visual understanding. Specifically, our method innovatively constructs cognitive maps that explicitly model plausible relationships between detected entities and candidate actions. Subsequently, it dynamically invokes tools including retrieval augmentation, image cropping, and diffusion models to gather domain-specific knowledge and enriched visual evidence, thereby achieving cross-modal alignment in ambiguous scenarios. Moreover, we propose a composite reward that balances prediction accuracy and tool efficiency. Evaluations on SWIG-HOI and HICO-DET datasets demonstrate our SOTA performance, requiring approximately 20\% of training data compared to existing methods, validating our robustness and efficiency.

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.

Vision-language foundation models (VLMs) show promise for diverse imaging tasks but often underperform on medical benchmarks. Prior efforts to improve performance include model finetuning, which requires large domain-specific datasets and significant compute, or manual prompt engineering, which is hard to generalize and often inaccessible to medical institutions seeking to deploy these tools. These challenges motivate interest in approaches that draw on a model's embedded knowledge while abstracting away dependence on human-designed prompts to enable scalable, weight-agnostic performance improvements. To explore this, we adapt the Declarative Self-improving Python (DSPy) framework for structured automated prompt optimization in medical vision-language systems through a comprehensive, formal evaluation. We implement prompting pipelines for five medical imaging tasks across radiology, gastroenterology, and dermatology, evaluating 10 open-source VLMs with four prompt optimization techniques. Optimized pipelines achieved a median relative improvement of 53% over zero-shot prompting baselines, with the largest gains ranging from 300% to 3,400% on tasks where zero-shot performance is low. These results highlight the substantial potential of applying automated prompt optimization to medical AI systems, demonstrating significant gains for vision-based applications requiring accurate clinical image interpretation. By reducing dependence on prompt design to elicit intended outputs, these techniques allow clinicians to focus on patient care and clinical decision-making. Furthermore, our experiments offer scalability and preserve data privacy, demonstrating performance improvement on open-source VLMs. We publicly release our evaluation pipelines to support reproducible research on specialized medical tasks, available at https://github.com/DaneshjouLab/prompt-triage-lab.

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.

Industrial asset operations workflows are latency-sensitive because a single user query may require coordination over sensor data, work orders, failure modes, forecasting tools, and domain-specific agents. We evaluate this problem on AssetOpsBench (AOB), an industrial agent benchmark whose plan-execute pipeline exposes repeated overhead from tool discovery, LLM planning, MCP tool execution, and final summarization. Existing LLM caching techniques such as KV-cache reuse and embedding-based semantic caching were designed for chatbot serving and break down when output validity depends on time, asset, or sensor parameters. We propose two complementary optimization layers for AOB plan-execute pipelines: a temporal semantic cache and a set of MCP workflow optimizations combining disk-backed tool-discovery caching and dependency-aware parallel step execution. MCP workflow optimizations corresponded to a 1.67x speedup and reduced median end-to-end latency by about 40.0% while the temporal-cache benchmark achieved a median of 30.6x speedup on cache hits. Beyond the speedup, our results expose a concrete failure mode of pure semantic caching for parameter-rich industrial queries, providing a critical analysis of how caching choices interact with evaluation correctness in MCP-backed agent benchmarks.

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.

We show that training AI agents on high-fidelity reinforcement learning environments produces capabilities that generalize beyond the training distribution. We introduce CoreCraft, the first environment in EnterpriseBench, Surge AI's suite of agentic RL environments. CoreCraft is a fully operational enterprise simulation of a customer support organization, comprising over 2,500 entities across 14 entity types with 23 unique tools, designed to measure whether AI agents can perform the multi-step, domain-specific work that real jobs demand. Frontier models such as GPT-5.2 and Claude Opus 4.6 solve fewer than 30% of tasks when all expert-authored rubric criteria must be satisfied. Using this environment, we train GLM 4.6 with Group Relative Policy Optimization (GRPO) and adaptive clipping. After a single epoch of training, the model improves from 25.37% to 36.76% task pass rate on held-out evaluation tasks. More importantly, these gains transfer to out-of-distribution benchmarks: +4.5% on BFCL Parallel, +7.4% on Tau2-Bench Retail, and +6.8% on Tool Decathlon (Pass@1). We believe three environment properties are consistent with the observed transfer: task-centric world building that optimizes for diverse, challenging tasks; expert-authored rubrics enabling reliable reward computation; and enterprise workflows that reflect realistic professional patterns. Our results suggest that environment quality, diversity, and realism are key factors enabling generalizable agent capabilities.

Citations are the bedrock of scientific authority, yet their integrity is compromised by widespread miscitations: ranging from nuanced distortions to fabricated references. Systematic citation verification is currently unfeasible; manual review cannot scale to modern publishing volumes, while existing automated tools are restricted by abstract-only analysis or small-scale, domain-specific datasets in part due to the "paywall barrier" of full-text access. We introduce BibAgent, a scalable, end-to-end agentic framework for automated citation verification. BibAgent integrates retrieval, reasoning, and adaptive evidence aggregation, applying distinct strategies for accessible and paywalled sources. For paywalled references, it leverages a novel Evidence Committee mechanism that infers citation validity via downstream citation consensus. To support systematic evaluation, we contribute a 5-category Miscitation Taxonomy and MisciteBench, a massive cross-disciplinary benchmark comprising 6,350 miscitation samples spanning 254 fields. Our results demonstrate that BibAgent outperforms state-of-the-art Large Language Model (LLM) baselines in citation verification accuracy and interpretability, providing scalable, transparent detection of citation misalignments across the scientific literature.

DeepSearch paradigms have become a core enabler for deep reasoning models, allowing them to invoke external search tools to access up-to-date, domain-specific knowledge beyond parametric boundaries, thereby enhancing the depth and factual reliability of reasoning. Building upon this foundation, recent advances in reinforcement learning (RL) have further empowered models to autonomously and strategically control search tool usage, optimizing when and how to query external knowledge sources. Yet, these RL-driven DeepSearch systems often reveal a see-saw trade-off between accuracy and efficiency-frequent tool invocations can improve factual correctness but lead to unnecessary computational overhead and diminished efficiency. To address this challenge, we propose LightSearcher, an efficient RL framework that incorporates textual experiential memory by learning contrastive reasoning trajectories to generate interpretable summaries of successful reasoning patterns. In addition, it employs an adaptive reward shaping mechanism that penalizes redundant tool calls only in correct-answer scenarios. This design effectively balances the inherent accuracy-efficiency trade-off in DeepSearch paradigms. Experiments on four multi-hop QA benchmarks show that LightSearcher maintains accuracy comparable to SOTA baseline ReSearch, while reducing search tool invocations by 39.6%, inference time by 48.6%, and token consumption by 21.2%, demonstrating its superior efficiency.

Large Language Models (LLMs) are increasingly being integrated into software development processes, with the potential to transform team workflows and productivity. This paper investigates how LLMs affect team collaboration throughout the Software Development Life Cycle (SDLC). We reframe and update a prior study with recent developments as of 2025, incorporating new literature and case studies. We outline the problem of collaboration hurdles in SDLC and explore how LLMs can enhance productivity, communication, and decision-making in a team context. Through literature review, industry examples, a team survey, and two case studies, we assess the impact of LLM-assisted tools (such as code generation assistants and AI-powered project management agents) on collaborative software engineering practices. Our findings indicate that LLMs can significantly improve efficiency (by automating repetitive tasks and documentation), enhance communication clarity, and aid cross-functional collaboration, while also introducing new challenges like model limitations and privacy concerns. We discuss these benefits and challenges, present research questions guiding the investigation, evaluate threats to validity, and suggest future research directions including domain-specific model customization, improved integration into development tools, and robust strategies for ensuring trust and security.

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.

Precise delineation of meningiomas is crucial for effective radiotherapy (RT) planning, directly influencing treatment efficacy and preservation of adjacent healthy tissues. While automated deep learning approaches have demonstrated considerable potential, achieving consistently accurate clinical segmentation remains challenging due to tumor heterogeneity. Interactive Medical Image Segmentation (IMIS) addresses this challenge by integrating advanced AI techniques with clinical input. However, generic segmentation tools, despite widespread applicability, often lack the specificity required for clinically critical and disease-specific tasks like meningioma RT planning. To overcome these limitations, we introduce Interactive-MEN-RT, a dedicated IMIS tool specifically developed for clinician-assisted 3D meningioma segmentation in RT workflows. The system incorporates multiple clinically relevant interaction methods, including point annotations, bounding boxes, lasso tools, and scribbles, enhancing usability and clinical precision. In our evaluation involving 500 contrast-enhanced T1-weighted MRI scans from the BraTS 2025 Meningioma RT Segmentation Challenge, Interactive-MEN-RT demonstrated substantial improvement compared to other segmentation methods, achieving Dice similarity coefficients of up to 77.6\% and Intersection over Union scores of 64.8\%. These results emphasize the need for clinically tailored segmentation solutions in critical applications such as meningioma RT planning. The code is publicly available at: https://github.com/snuh-rad-aicon/Interactive-MEN-RT

We introduce DLT-Corpus, the largest domain-specific text collection for Distributed Ledger Technology (DLT) research to date: 2.98 billion tokens from 22.12 million documents spanning scientific literature (37,440 publications), United States Patent and Trademark Office (USPTO) patents (49,023 filings), and social media (22 million posts). Existing Natural Language Processing (NLP) resources for DLT focus narrowly on cryptocurrencies price prediction and smart contracts, leaving domain-specific language under explored despite the sector's ~$3 trillion market capitalization and rapid technological evolution. We demonstrate DLT-Corpus' utility by analyzing technology emergence patterns and market-innovation correlations. Findings reveal that technologies originate in scientific literature before reaching patents and social media, following traditional technology transfer patterns. While social media sentiment remains overwhelmingly bullish even during crypto winters, scientific and patent activity grow independently of market fluctuations, tracking overall market expansion in a virtuous cycle where research precedes and enables economic growth that funds further innovation. We publicly release the full DLT-Corpus; LedgerBERT, a domain-adapted model achieving 23% improvement over BERT-base on a DLT-specific Named Entity Recognition (NER) task; and all associated tools and code.

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.

Patient-generated text such as secure messages, surveys, and interviews contains rich expressions of the patient voice (PV), reflecting communicative behaviors and social determinants of health (SDoH). Traditional qualitative coding frameworks are labor intensive and do not scale to large volumes of patient-authored messages across health systems. Existing machine learning (ML) and natural language processing (NLP) approaches provide partial solutions but often treat patient-centered communication (PCC) and SDoH as separate tasks or rely on models not well suited to patient-facing language. We introduce PVminer, a domain-adapted NLP framework for structuring patient voice in secure patient-provider communication. PVminer formulates PV detection as a multi-label, multi-class prediction task integrating patient-specific BERT encoders (PV-BERT-base and PV-BERT-large), unsupervised topic modeling for thematic augmentation (PV-Topic-BERT), and fine-tuned classifiers for Code, Subcode, and Combo-level labels. Topic representations are incorporated during fine-tuning and inference to enrich semantic inputs. PVminer achieves strong performance across hierarchical tasks and outperforms biomedical and clinical pre-trained baselines, achieving F1 scores of 82.25% (Code), 80.14% (Subcode), and up to 77.87% (Combo). An ablation study further shows that author identity and topic-based augmentation each contribute meaningful gains. Pre-trained models, source code, and documentation will be publicly released, with annotated datasets available upon request for research use.

Adapting LLM agents to domain-specific tool calling remains notably brittle under evolving interfaces. Prompt and schema engineering is easy to deploy but often fragile under distribution shift and strict parsers, while continual parameter-efficient fine-tuning improves reliability at the cost of training, maintenance, and potential forgetting. We identify a critical Lazy Agent failure mode where tool necessity is nearly perfectly decodable from mid-layer activations, yet the model remains conservative in entering tool mode, revealing a representation-behavior gap. We propose Activation Steering Adapter (ASA), a training-free, inference-time controller that performs a single-shot mid-layer intervention and targets tool domains via a router-conditioned mixture of steering vectors with a probe-guided signed gate to amplify true intent while suppressing spurious triggers. On MTU-Bench with Qwen2.5-1.5B, ASA improves strict tool-use F1 from 0.18 to 0.50 while reducing the false positive rate from 0.15 to 0.05, using only about 20KB of portable assets and no weight updates.

Tool-integrated agents that interleave reasoning with API calls are promising for complex tasks, yet aligning them for high-stakes, domain-specific deployment remains challenging: existing reinforcement learning approaches rely on coarse binary rewards that cannot distinguish tool selection errors from malformed parameters. We present ToolRLA, a three-stage post-training pipeline (SFT -> GRPO -> DPO) for domain-specific tool agents. The core contribution is a fine-grained reward function with multiplicative correctness decomposition spanning four dimensions -- format validity, tool selection, parameter accuracy, and regulatory compliance -- that encodes domain priority orderings as inductive biases in the reward landscape. Deployed on a financial advisory copilot (80+ advisors, 1,200+ daily queries), ToolRLA achieves over three months: a 47% improvement in task completion rate (62%->91%), a 63% reduction in tool invocation errors (38%->14%), and a 93% reduction in regulatory violations (12%->0.8%), within sub-2-second latency. Ablation studies show the multiplicative reward design accounts for 7 percentage points of improvement over additive alternatives. Generalization is further validated on ToolBench and API-Bank.

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

The emergence of tool-calling-based agent systems introduces a more evidence-driven paradigm for pathology image analysis in contrast to the coarse-grained text-image diagnostic approaches. With the recent large-scale experimental adoption of spatial transcriptomics technologies, molecularly validated pathological diagnosis is becoming increasingly open and accessible. In this work, we propose LAMMI-Pathology (LVLM-Agent System for Molecularly Informed Medical Intelligence in Pathology), a scalable agent framework for domain-specific agent tool-calling. LAMMI-Pathology adopts a tool-centric, bottom-up architecture in which customized domain-adaptive tools serve as the foundation. These tools are clustered by domain style to form component agents, which are then coordinated through a top-level planner hierarchically, avoiding excessively long context lengths that could induce task drift. Based on that, we introduce a novel trajectory construction mechanism based on Atomic Execution Nodes (AENs), which serve as reliable and composable units for building semi-simulated reasoning trajectories that capture credible agent-tool interactions. Building on this foundation, we develop a trajectory-aware fine-tuning strategy that aligns the planner's decision-making process with these multi-step reasoning trajectories, thereby enhancing inference robustness in pathology understanding and its adaptive use of the customized toolset.

AEC drawings encode geometry and semantics through symbols, layout conventions, and dense annotation, yet it remains unclear whether modern multimodal and vision-language models can reliably interpret this graphical language. We present AECV-Bench, a benchmark for evaluating multimodal and vision-language models on realistic AEC artefacts via two complementary use cases: (i) object counting on 120 high-quality floor plans (doors, windows, bedrooms, toilets), and (ii) drawing-grounded document QA spanning 192 question-answer pairs that test text extraction (OCR), instance counting, spatial reasoning, and comparative reasoning over common drawing regions. Object-counting performance is reported using per-field exact-match accuracy and MAPE results, while document-QA performance is reported using overall accuracy and per-category breakdowns with an LLM-as-a-judge scoring pipeline and targeted human adjudication for edge cases. Evaluating a broad set of state-of-the-art models under a unified protocol, we observe a stable capability gradient; OCR and text-centric document QA are strongest (up to 0.95 accuracy), spatial reasoning is moderate, and symbol-centric drawing understanding - especially reliable counting of doors and windows - remains unsolved (often 0.40-0.55 accuracy) with substantial proportional errors. These results suggest that current systems function well as document assistants but lack robust drawing literacy, motivating domain-specific representations and tool-augmented, human-in-the-loop workflows for an efficient AEC automation.

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.

Autonomous agents based on large language models (LLMs) are rapidly evolving to handle multi-turn tasks, but ensuring their trustworthiness remains a critical challenge. A fundamental pillar of this trustworthiness is calibration, which refers to an agent's ability to express confidence that reliably reflects its actual performance. While calibration is well-established for static models, its dynamics in tool-integrated agentic workflows remain underexplored. In this work, we systematically investigate verbalized calibration in tool-use agents, revealing a fundamental confidence dichotomy driven by tool type. Specifically, our pilot study identifies that evidence tools (e.g., web search) systematically induce severe overconfidence due to inherent noise in retrieved information, while verification tools (e.g., code interpreters) can ground reasoning through deterministic feedback and mitigate miscalibration. To robustly improve calibration across tool types, we propose a reinforcement learning (RL) fine-tuning framework that jointly optimizes task accuracy and calibration, supported by a holistic benchmark of reward designs. We demonstrate that our trained agents not only achieve superior calibration but also exhibit robust generalization from local training environments to noisy web settings and to distinct domains such as mathematical reasoning. Our results highlight the necessity of domain-specific calibration strategies for tool-use agents. More broadly, this work establishes a foundation for building self-aware agents that can reliably communicate uncertainty in high-stakes, real-world deployments.

Training tool-augmented LLMs has emerged as a promising approach to enhancing language models' capabilities for complex tasks. The current supervised fine-tuning paradigm relies on constructing extensive domain-specific datasets to train models. However, this approach often struggles to generalize effectively to unfamiliar or intricate tool-use scenarios. Recently, reinforcement learning (RL) paradigm can endow LLMs with superior reasoning and generalization abilities. In this work, we address a key question: Can the pure RL be used to effectively elicit a model's intrinsic reasoning capabilities and enhance the tool-agnostic generalization? We propose a dynamic generalization-guided reward design for rule-based RL, which progressively shifts rewards from exploratory to exploitative tool-use patterns. Based on this design, we introduce the Tool-Zero series models. These models are trained to enable LLMs to autonomously utilize general tools by directly scaling up RL from Zero models (i.e., base models without post-training). Experimental results demonstrate that our models achieve over 7% performance improvement compared to both SFT and RL-with-SFT models under the same experimental settings. These gains are consistently replicated across cross-dataset and intra-dataset evaluations, validating the effectiveness and robustness of our methods.

Recent advances in large language models (LLMs) have demonstrated remarkable capabilities in reasoning and tool utilization. However, the generalization of tool-augmented reinforcement learning (RL) across diverse domains remains underexplored. In this work, we investigate the cross-domain generalization of an LLM agent equipped with a code interpreter tool, which is exclusively trained on mathematical problem-solving tasks. Despite the restricted training domain, we evaluate the agent's performance across several distinct reasoning domains. The results reveal that RL-based tool usage learned from mathematical tasks can be effectively transferred to complex tasks in other domains, enabling great task performance and high token efficiency. To facilitate this cross-domain transfer, we propose a Tool Generalization Reinforcement Learning (TGRL) framework designed to promote domain-agnostic learning and skill migration, encompassing: (i) a standardized tool interface that abstracts domain-specific nuances through consistent formatting and explicit termination, fostering transferable invocation patterns; (ii) a dual-component reward system that decomposes rewards to incentivize generalizable behaviors like tool efficiency and reasoning abstraction, ensuring alignment and robustness across domain shifts; and (iii) an XML-based prompt template that separates thinking, tool calls, and responses to encourage modular, domain-invariant planning and coherent multi-turn interactions. Extensive experiments across diverse benchmarks validate our approach, achieving state-of-the-art performance and highlighting the cross-domain potential of Tool RL for LLM reasoning.

The integration of Large Language Models (LLMs) into the financial domain is driving a paradigm shift from passive information retrieval to dynamic, agentic interaction. While general-purpose tool learning has witnessed a surge in benchmarks, the financial sector, characterized by high stakes, strict compliance, and rapid data volatility, remains critically underserved. Existing financial evaluations predominantly focus on static textual analysis or document-based QA, ignoring the complex reality of tool execution. Conversely, general tool benchmarks lack the domain-specific rigor required for finance, often relying on toy environments or a negligible number of financial APIs. To bridge this gap, we introduce FinToolBench, the first real-world, runnable benchmark dedicated to evaluating financial tool learning agents. Unlike prior works limited to a handful of mock tools, FinToolBench establishes a realistic ecosystem coupling 760 executable financial tools with 295 rigorous, tool-required queries. We propose a novel evaluation framework that goes beyond binary execution success, assessing agents on finance-critical dimensions: timeliness, intent type, and regulatory domain alignment. Furthermore, we present FATR, a finance-aware tool retrieval and reasoning baseline that enhances stability and compliance. By providing the first testbed for auditable, agentic financial execution, FinToolBench sets a new standard for trustworthy AI in finance. The tool manifest, execution environment, and evaluation code will be open-sourced to facilitate future research.

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.

Recent progress in large language models (LLMs) has enabled tool-augmented agents capable of solving complex real-world tasks through step-by-step reasoning. However, existing evaluations often focus on general-purpose or multimodal scenarios, leaving a gap in domain-specific benchmarks that assess tool-use capabilities in complex remote sensing use cases. We present ThinkGeo, an agentic benchmark designed to evaluate LLM-driven agents on remote sensing tasks via structured tool use and multi-step planning. Inspired by tool-interaction paradigms, ThinkGeo includes human-curated queries spanning a wide range of real-world applications such as urban planning, disaster assessment and change analysis, environmental monitoring, transportation analysis, aviation monitoring, recreational infrastructure, and industrial site analysis. Queries are grounded in satellite or aerial imagery, including both optical RGB and SAR data, and require agents to reason through a diverse toolset. We implement a ReAct-style interaction loop and evaluate both open and closed-source LLMs (e.g., GPT-4o, Qwen2.5) on 486 structured agentic tasks with 1,778 expert-verified reasoning steps. The benchmark reports both step-wise execution metrics and final answer correctness. Our analysis reveals notable disparities in tool accuracy and planning consistency across models. ThinkGeo provides the first extensive testbed for evaluating how tool-enabled LLMs handle spatial reasoning in remote sensing.

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.

The rise of agentic systems that combine orchestration, tool use, and conversational capabilities, has been more visible by the recent advent of large language models (LLMs). While open-domain frameworks exist, applying them in private domains remains difficult due to heterogeneous tool formats, domain-specific jargon, restricted accessibility of APIs, and complex governance. Conventional solutions, such as fine-tuning on synthetic dialogue data, are burdensome and brittle under domain shifts, and risk degrading general performance. In this light, we introduce a framework for private-domain multi-agent conversational systems that avoids training and data generation by adopting behavior modeling and documentation. Our design simply assumes an orchestrator, a tool-calling agent, and a general chat agent, with tool integration defined through structured specifications and domain-informed instructions. This approach enables scalable adaptation to private tools and evolving contexts without continual retraining. The framework supports practical use cases, including lightweight deployment of multi-agent systems, leveraging API specifications as retrieval resources, and generating synthetic dialogue for evaluation -- providing a sustainable method for aligning agent behavior with domain expertise in private conversational ecosystems.

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.

We introduce SciEvalKit, a unified benchmarking toolkit designed to evaluate AI models for science across a broad range of scientific disciplines and task capabilities. Unlike general-purpose evaluation platforms, SciEvalKit focuses on the core competencies of scientific intelligence, including Scientific Multimodal Perception, Scientific Multimodal Reasoning, Scientific Multimodal Understanding, Scientific Symbolic Reasoning, Scientific Code Generation, Science Hypothesis Generation and Scientific Knowledge Understanding. It supports six major scientific domains, spanning from physics and chemistry to astronomy and materials science. SciEvalKit builds a foundation of expert-grade scientific benchmarks, curated from real-world, domain-specific datasets, ensuring that tasks reflect authentic scientific challenges. The toolkit features a flexible, extensible evaluation pipeline that enables batch evaluation across models and datasets, supports custom model and dataset integration, and provides transparent, reproducible, and comparable results. By bridging capability-based evaluation and disciplinary diversity, SciEvalKit offers a standardized yet customizable infrastructure to benchmark the next generation of scientific foundation models and intelligent agents. The toolkit is open-sourced and actively maintained to foster community-driven development and progress in AI4Science.

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.

Intrusion Detection and Prevention Systems (IDS/IPS) in large enterprises can generate hundreds of thousands of alerts per hour, overwhelming analysts with logs requiring rapidly evolving expertise. Conventional machine-learning detectors reduce alert volume but still yield many false positives, while standard Retrieval-Augmented Generation (RAG) pipelines often retrieve irrelevant context and fail to justify predictions. We present CyberRAG, a modular agent-based RAG framework that delivers real-time classification, explanation, and structured reporting for cyber-attacks. A central LLM agent orchestrates: (i) fine-tuned classifiers specialized by attack family; (ii) tool adapters for enrichment and alerting; and (iii) an iterative retrieval-and-reason loop that queries a domain-specific knowledge base until evidence is relevant and self-consistent. Unlike traditional RAG, CyberRAG adopts an agentic design that enables dynamic control flow and adaptive reasoning. This architecture autonomously refines threat labels and natural-language justifications, reducing false positives and enhancing interpretability. It is also extensible: new attack types can be supported by adding classifiers without retraining the core agent. CyberRAG was evaluated on SQL Injection, XSS, and SSTI, achieving over 94\% accuracy per class and a final classification accuracy of 94.92\% through semantic orchestration. Generated explanations reached 0.94 in BERTScore and 4.9/5 in GPT-4-based expert evaluation, with robustness preserved against adversarial and unseen payloads. These results show that agentic, specialist-oriented RAG can combine high detection accuracy with trustworthy, SOC-ready prose, offering a flexible path toward partially automated cyber-defense workflows.

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.

Large language models (LLMs) increasingly rely on external tools and APIs to execute complex tasks specified in natural language. Evaluating such tool calling capabilities in realistic enterprise settings is challenging: APIs are often proprietary, heterogeneous, and difficult to share, limiting reproducible benchmarks. To address this, we introduce Live API Bench, a comprehensive benchmark constructed by transforming NL2SQL datasets into interactive API environments. Our pipeline converts SQL queries from BIRD SQL into executable API sequences across three formulations SLOT, SEL, and REST covering minimal general purpose operations, domain specific multi step tasks, and function oriented RESTful interactions, respectively. The benchmark spans 11 databases with over 2,500 invocable tools, paired with human authored queries, ground truth API sequences, and verified final answers. Live API Bench enables systematic evaluation of core challenges in tool use, including error handling, sequential reasoning, parameter generation, response parsing, and robustness across diverse domains. We evaluate 10 LLMs and 4 ReACT agents, observing low task completion rates (7 to 47pct), which improve modestly to 50pct under interactive agent settings, highlighting substantial scope for improving LLM tool calling performance. We release all code and data associated with this paper.

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

Large language models (LLMs) have demonstrated remarkable tool-use capabilities, yet their application to power system operations remains largely unexplored. This paper presents Grid-Mind, a domain-specific LLM agent that interprets natural-language interconnection requests and autonomously orchestrates multi-fidelity power system simulations. The LLM-first architecture positions the language model as the central decision-making entity, employing an eleven-tool registry to execute Connection Impact Assessment (CIA) studies spanning steadystate power flow, N-1 contingency analysis, transient stability, and electromagnetic transient screening. A violation inspector grounds every decision in quantitative simulation outputs, while a three-layer anti-hallucination defence mitigates numerical fabrication risk through forced capacity-tool routing and post-response grounding validation. A prompt-level self-correction mechanism extracts distilled lessons from agent failures, yielding progressive accuracy improvements without model retraining. End-to-end evaluation on 50 IEEE 118-bus scenarios (DeepSeek-V3, 2026-02-23) achieved 84.0% tool-selection accuracy and 100% parsing accuracy. A separate 56-scenario self-correction suite passed 49 of 56 cases (87.5%) with a mean score of 89.3. These results establish a reproducible baseline for continued refinement while maintaining auditable, simulation-grounded decision support.

As large language models (LLMs) become high-privilege agents in risk-sensitive settings, they introduce systemic threats beyond hallucination, where minor compliance errors can cause critical data leaks. However, existing benchmarks focus on rule-based QA, lacking agentic execution modeling, overlooking compliance drift in adversarial interactions, and relying on binary safety metrics that fail to capture behavioral degradation. To bridge these gaps, we present CNFinBench, a comprehensive benchmark spanning 29 subtasks grounded in the triad of expertise, autonomy, and integrity. It assesses domain-specific capabilities through certified regulatory corpora and professional financial tasks, reconstructs end-to-end agent workflows from requirement parsing to tool verification, and simulates multi-turn adversarial attacks that induce behavioral compliance drift. To quantify safety degradation, we introduce the Harmful Instruction Compliance Score (HICS), a multi-dimensional safety metric that integrates risk-type-specific deductions, multi-turn consistency tracking, and severity-adjusted penalty scaling based on fine-grained violation triggers. Evaluations over 22 open-/closed-source models reveal: LLMs perform well in applied tasks yet lack robust rule understanding, suffer a 15.4-point drop single modules to full execution chains, and collapse rapidly in multi-turn attacks, with average violations surging by 172.3% in Round 2. CNFinBench is available at https://cnfinbench.opencompass.org.cn and https://github.com/VertiAIBench/CNFinBench.

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.

Large language model (LLM) agents augmented with external tools often struggle as number of tools grow large and become domain-specific. In such settings, ambiguous tool descriptions and under-specified agent instructions frequently lead to tool mis-selection and incorrect slot/value instantiation. We hypothesize that this is due to two root causes: generic, one-size-fits-all prompts that ignore tool-specific nuances, and underspecified tool schemas that lack clear guidance on when and how to use each tool and how to format its parameters. We introduce Joint Tool-Prompt Reflective Optimization (JTPRO), a framework for improving tool-calling reliability in trace-supervised settings by iteratively using rollout-driven reflection to co-optimize global instructions and per-tool schema/argument descriptions for accurate tool selection and argument instantiation in large tool inventories. JTPRO is designed to preserve only tool-local cues needed for correct disambiguation and slot filling. We evaluate JTPRO across multi-tool benchmarks, which account for different number of tools using three metrics: Tool Selection Accuracy (TSA), Slot Filling Accuracy(SFA), and Overall Success Rate(OSR) (correct tool + correct slots + correct values). JTPRO consistently outperforms strong baselines, including CoT-style agents, and reflective prompt optimizers such as GEPA by 5%-20% (relative) on OSR. Ablations show that joint optimization of instructions and tool schemas is more effective and robust than optimizing either component in isolation.

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.

AI agents are expected to perform professional work across hundreds of occupational domains (from emergency department triage to nuclear reactor safety monitoring to customs import processing), yet existing benchmarks can only evaluate agents in the few domains where public environments exist. We introduce OccuBench, a benchmark covering 100 real-world professional task scenarios across 10 industry categories and 65 specialized domains, enabled by Language World Models (LWMs) that simulate domain-specific environments through LLM-driven tool response generation. Our multi-agent synthesis pipeline automatically produces evaluation instances with guaranteed solvability, calibrated difficulty, and document-grounded diversity. OccuBench evaluates agents along two complementary dimensions: task completion across professional domains and environmental robustness under controlled fault injection (explicit errors, implicit data degradation, and mixed faults). We evaluate 15 frontier models across 8 model families and find that: (1) no single model dominates all industries, as each has a distinct occupational capability profile; (2) implicit faults (truncated data, missing fields) are harder than both explicit errors (timeouts, 500s) and mixed faults, because they lack overt error signals and require the agent to independently detect data degradation; (3) larger models, newer generations, and higher reasoning effort consistently improve performance. GPT-5.2 improves by 27.5 points from minimal to maximum reasoning effort; and (4) strong agents are not necessarily strong environment simulators. Simulator quality is critical for LWM-based evaluation reliability. OccuBench provides the first systematic cross-industry evaluation of AI agents on professional occupational tasks.

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.

In January 2026, the open-source agent framework OpenClaw and the agent-only social network Moltbook produced a large-scale dataset of autonomous AI-to-AI interaction, attracting six academic publications within fourteen days. This study conducts a multivocal literature review of that ecosystem and presents ClawdLab, an open-source platform for autonomous scientific research, as a design science response to the architectural failure modes identified. The literature documents emergent collective phenomena, security vulnerabilities spanning 131 agent skills and over 15,200 exposed control panels, and five recurring architectural patterns. ClawdLab addresses these failure modes through hard role restrictions, structured adversarial critique, PI-led governance, multi-model orchestration, and domain-specific evidence requirements encoded as protocol constraints that ground validation in computational tool outputs rather than social consensus; the architecture provides emergent Sybil resistance as a structural consequence. A three-tier taxonomy distinguishes single-agent pipelines, predetermined multi-agent workflows, and fully decentralised systems, analysing why leading AI co-scientist platforms remain confined to the first two tiers. ClawdLab's composable third-tier architecture, in which foundation models, capabilities, governance, and evidence requirements are independently modifiable, enables compounding improvement as the broader AI ecosystem advances.

Recent advances in LLM-based multi-agent systems (MAS) show that workflows composed of multiple LLM agents with distinct roles, tools, and communication patterns can outperform single-LLM baselines on complex tasks. However, most frameworks are homogeneous, where all agents share the same base LLM and differ only in prompts, tools, and positions in the workflow. This raises the question of whether such workflows can be simulated by a single agent through multi-turn conversations. We investigate this across seven benchmarks spanning coding, mathematics, general question answering, domain-specific reasoning, and real-world planning and tool use. Our results show that a single agent can reach the performance of homogeneous workflows with an efficiency advantage from KV cache reuse, and can even match the performance of an automatically optimized heterogeneous workflow. Building on this finding, we propose OneFlow, an algorithm that automatically tailors workflows for single-agent execution, reducing inference costs compared to existing automatic multi-agent design frameworks without trading off accuracy. These results position the single-LLM implementation of multi-agent workflows as a strong baseline for MAS research. We also note that single-LLM methods cannot capture heterogeneous workflows due to the lack of KV cache sharing across different LLMs, highlighting future opportunities in developing truly heterogeneous multi-agent systems.

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.

The development of domain-specific languages (DSLs) is a laborious and iterative process that seems to naturally lean to the use of generative artificial intelligence. We design and prototype DSL Assistant, a tool that integrates generative language models to support the development of DSLs. DSL Assistant uses OpenAI's assistant API with GPT-4o to generate DSL grammars and example instances. To reflect real-world use, DSL Assistant supports several different interaction modes for evolving a DSL design, and includes automatic error repair. Our experiments show that DSL Assistant helps users to create and modify DSLs. However, the quality of the generated DSLs depends on the specific domain and the followed interaction patterns.

Tool calling has become increasingly popular for Large Language Models (LLMs). However, for large tool sets, the resulting tokens would exceed the LLM's context window limit, making it impossible to include every tool. Hence, an external retriever is used to provide LLMs with the most relevant tools for a query. Existing retrieval models rank tools based on the similarity between a user query and a tool description (TD). This leads to suboptimal retrieval as user requests are often poorly aligned with the language of TD. To remedy the issue, we propose ToolDreamer, a framework to condition retriever models to fetch tools based on hypothetical (synthetic) TD generated using an LLM, i.e., description of tools that the LLM feels will be potentially useful for the query. The framework enables a more natural alignment between queries and tools within the language space of TD's. We apply ToolDreamer on the ToolRet dataset and show that our method improves the performance of sparse and dense retrievers with and without training, thus showcasing its flexibility. Through our proposed framework, our aim is to offload a portion of the reasoning burden to the retriever so that the LLM may effectively handle a large collection of tools without inundating its context window.

Large Language Models (LLMs) have shown remarkable success in supporting a wide range of knowledge-intensive tasks. In specialized domains, there is growing interest in leveraging LLMs to assist subject matter experts with domain-specific challenges. However, deploying LLMs as SaaS solutions raises data privacy concerns, while many open-source models demand significant computational resources for effective domain adaptation and deployment. A promising alternative is to develop smaller, domain-specialized LLMs, though this approach is often constrained by the lack of high-quality domain-specific training data. In this work, we address these limitations by presenting a cost-efficient and scalable training pipeline that combines guided synthetic data generation from a small seed corpus with bottom-up domain data curation. Our pipeline integrates Domain-Adaptive Pretraining (DAPT), Domain-specific Supervised Fine-tuning (DSFT), and Direct Preference Optimization (DPO) to train effective small-scale models for specialized use cases. We demonstrate this approach through DiagnosticSLM, a 3B-parameter domain-specific model tailored for fault diagnosis, root cause analysis, and repair recommendation in industrial settings. To evaluate model performance, we introduce four domain-specific benchmarks: multiple-choice questions (DiagnosticMCQ), question answering (DiagnosticQA), sentence completion (DiagnosticComp), and summarization (DiagnosticSum). DiagnosticSLM achieves up to 25% accuracy improvement over open-source models of comparable or larger size (2B-9B) on the MCQ task, while also outperforming or matching them in other tasks, demonstrating effective domain-specific reasoning and generalization capabilities.

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.

We introduce Domain-specific Masks for Generalization, a model for improving both in-domain and out-of-domain generalization performance. For domain generalization, the goal is to learn from a set of source domains to produce a single model that will best generalize to an unseen target domain. As such, many prior approaches focus on learning representations which persist across all source domains with the assumption that these domain agnostic representations will generalize well. However, often individual domains contain characteristics which are unique and when leveraged can significantly aid in-domain recognition performance. To produce a model which best generalizes to both seen and unseen domains, we propose learning domain specific masks. The masks are encouraged to learn a balance of domain-invariant and domain-specific features, thus enabling a model which can benefit from the predictive power of specialized features while retaining the universal applicability of domain-invariant features. We demonstrate competitive performance compared to naive baselines and state-of-the-art methods on both PACS and DomainNet.