Daily Papers

Reward is critical to the evaluation and training of large language models (LLMs). However, existing rule-based or model-based reward methods struggle to generalize to GUI agents, where access to ground-truth trajectories or application databases is often unavailable, and static trajectory-based LLM-as-a-Judge approaches suffer from limited accuracy. To address these challenges, we propose ProRe, a proactive reward system that leverages a general-purpose reasoner and domain-specific evaluator agents (actors). The reasoner schedules targeted state probing tasks, which the evaluator agents then execute by actively interacting with the environment to collect additional observations. This enables the reasoner to assign more accurate and verifiable rewards to GUI agents. Empirical results on over 3K trajectories demonstrate that ProRe improves reward accuracy and F1 score by up to 5.3% and 19.4%, respectively. Furthermore, integrating ProRe with state-of-the-art policy agents yields a success rate improvement of up to 22.4%.

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic combination of LLM-based reasoning and large-scale evolutionary search to address complex real-world challenges. The core of FM Agent integrates several key innovations: 1) a cold-start initialization phase incorporating expert guidance, 2) a novel evolutionary sampling strategy for iterative optimization, 3) domain-specific evaluators that combine correctness, effectiveness, and LLM-supervised feedback, and 4) a distributed, asynchronous execution infrastructure built on Ray. Demonstrating broad applicability, our system has been evaluated across diverse domains, including operations research, machine learning, GPU kernel optimization, and classical mathematical problems. FM Agent reaches state-of-the-art results autonomously, without human interpretation or tuning -- 1976.3 on ALE-Bench (+5.2\%), 43.56\% on MLE-Bench (+4.0pp), up to 20x speedups on KernelBench, and establishes new state-of-the-art(SOTA) results on several classical mathematical problems. Beyond academic benchmarks, FM Agent shows considerable promise for both large-scale enterprise R\&D workflows and fundamental scientific research, where it can accelerate innovation, automate complex discovery processes, and deliver substantial engineering and scientific advances with broader societal impact.

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.

The integration of AI agents with Web3 ecosystems harnesses their complementary potential for autonomy and openness yet also introduces underexplored security risks, as these agents dynamically interact with financial protocols and immutable smart contracts. This paper investigates the vulnerabilities of AI agents within blockchain-based financial ecosystems when exposed to adversarial threats in real-world scenarios. We introduce the concept of context manipulation, a comprehensive attack vector that exploits unprotected context surfaces, including input channels, memory modules, and external data feeds. Through empirical analysis of ElizaOS, a decentralized AI agent framework for automated Web3 operations, we demonstrate how adversaries can manipulate context by injecting malicious instructions into prompts or historical interaction records, leading to unintended asset transfers and protocol violations which could be financially devastating. To quantify these vulnerabilities, we design CrAIBench, a Web3 domain-specific benchmark that evaluates the robustness of AI agents against context manipulation attacks across 150+ realistic blockchain tasks, including token transfers, trading, bridges and cross-chain interactions and 500+ attack test cases using context manipulation. We systematically assess attack and defense strategies, analyzing factors like the influence of security prompts, reasoning models, and the effectiveness of alignment techniques. Our findings show that prompt-based defenses are insufficient when adversaries corrupt stored context, achieving significant attack success rates despite these defenses. Fine-tuning-based defenses offer a more robust alternative, substantially reducing attack success rates while preserving utility on single-step tasks. This research highlights the urgent need to develop AI agents that are both secure and fiduciarily responsible.

Graphical user interface (GUI) agents can substantially improve productivity by automating frequently executed long-latency tasks on mobile devices. However, existing evaluation benchmarks are still constrained to limited applications, simple tasks, and coarse-grained metrics. To address this, we introduce AndroidLens, a challenging evaluation framework for mobile GUI agents, comprising 571 long-latency tasks in both Chinese and English environments, each requiring an average of more than 26 steps to complete. The framework features: (1) tasks derived from real-world user scenarios across 38 domains, covering complex types such as multi-constraint, multi-goal, and domain-specific tasks; (2) static evaluation that preserves real-world anomalies and allows multiple valid paths to reduce bias; and (3) dynamic evaluation that employs a milestone-based scheme for fine-grained progress measurement via Average Task Progress (ATP). Our evaluation indicates that even the best models reach only a 12.7% task success rate and 50.47% ATP. We also underscore key challenges in real-world environments, including environmental anomalies, adaptive exploration, and long-term memory retention.

Despite significant advancements in general-purpose AI agents, several challenges still hinder their practical application in real-world scenarios. First, the limited planning capabilities of Large Language Models (LLM) restrict AI agents from effectively solving complex tasks that require long-horizon planning. Second, general-purpose AI agents struggle to efficiently utilize domain-specific knowledge and human expertise. In this paper, we introduce the Standard Operational Procedure-guided Agent (SOP-agent), a novel framework for constructing domain-specific agents through pseudocode-style Standard Operational Procedures (SOPs) written in natural language. Formally, we represent a SOP as a decision graph, which is traversed to guide the agent in completing tasks specified by the SOP. We conduct extensive experiments across tasks in multiple domains, including decision-making, search and reasoning, code generation, data cleaning, and grounded customer service. The SOP-agent demonstrates excellent versatility, achieving performance superior to general-purpose agent frameworks and comparable to domain-specific agent systems. Additionally, we introduce the Grounded Customer Service Benchmark, the first benchmark designed to evaluate the grounded decision-making capabilities of AI agents in customer service scenarios based on SOPs.

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

Recent advances in LLMs, particularly in language reasoning and tool integration, have rapidly sparked the real-world development of Language Agents. Among these, travel planning represents a prominent domain, combining academic challenges with practical value due to its complexity and market demand. However, existing benchmarks fail to reflect the diverse, real-world requirements crucial for deployment. To address this gap, we introduce ChinaTravel, a benchmark specifically designed for authentic Chinese travel planning scenarios. We collect the travel requirements from questionnaires and propose a compositionally generalizable domain-specific language that enables a scalable evaluation process, covering feasibility, constraint satisfaction, and preference comparison. Empirical studies reveal the potential of neuro-symbolic agents in travel planning, achieving a constraint satisfaction rate of 27.9%, significantly surpassing purely neural models at 2.6%. Moreover, we identify key challenges in real-world travel planning deployments, including open language reasoning and unseen concept composition. These findings highlight the significance of ChinaTravel as a pivotal milestone for advancing language agents in complex, real-world planning scenarios.

AI for Industrial Asset Lifecycle Management aims to automate complex operational workflows -- such as condition monitoring, maintenance planning, and intervention scheduling -- to reduce human workload and minimize system downtime. Traditional AI/ML approaches have primarily tackled these problems in isolation, solving narrow tasks within the broader operational pipeline. In contrast, the emergence of AI agents and large language models (LLMs) introduces a next-generation opportunity: enabling end-to-end automation across the entire asset lifecycle. This paper envisions a future where AI agents autonomously manage tasks that previously required distinct expertise and manual coordination. To this end, we introduce AssetOpsBench -- a unified framework and environment designed to guide the development, orchestration, and evaluation of domain-specific agents tailored for Industry 4.0 applications. We outline the key requirements for such holistic systems and provide actionable insights into building agents that integrate perception, reasoning, and control for real-world industrial operations. The software is available at https://github.com/IBM/AssetOpsBench.

This paper presents FoFo, a pioneering benchmark for evaluating large language models' (LLMs) ability to follow complex, domain-specific formats, a crucial yet underexamined capability for their application as AI agents. Despite LLMs' advancements, existing benchmarks fail to assess their format-following proficiency adequately. FoFo fills this gap with a diverse range of real-world formats and instructions, developed through an AI-Human collaborative method. Our evaluation across both open-source (e.g., Llama 2, WizardLM) and closed-source (e.g., GPT-4, PALM2, Gemini) LLMs highlights three key findings: open-source models significantly lag behind closed-source ones in format adherence; LLMs' format-following performance is independent of their content generation quality; and LLMs' format proficiency varies across different domains. These insights suggest the need for specialized tuning for format-following skills and highlight FoFo's role in guiding the selection of domain-specific AI agents. FoFo is released here at https://github.com/SalesforceAIResearch/FoFo.

The advent of Deep Research agents has substantially reduced the time required for conducting extensive research tasks. However, these tasks inherently demand rigorous standards of factual accuracy and comprehensiveness, necessitating thorough evaluation before widespread adoption. In this paper, we propose ReportBench, a systematic benchmark designed to evaluate the content quality of research reports generated by large language models (LLMs). Our evaluation focuses on two critical dimensions: (1) the quality and relevance of cited literature, and (2) the faithfulness and veracity of the statements within the generated reports. ReportBench leverages high-quality published survey papers available on arXiv as gold-standard references, from which we apply reverse prompt engineering to derive domain-specific prompts and establish a comprehensive evaluation corpus. Furthermore, we develop an agent-based automated framework within ReportBench that systematically analyzes generated reports by extracting citations and statements, checking the faithfulness of cited content against original sources, and validating non-cited claims using web-based resources. Empirical evaluations demonstrate that commercial Deep Research agents such as those developed by OpenAI and Google consistently generate more comprehensive and reliable reports than standalone LLMs augmented with search or browsing tools. However, there remains substantial room for improvement in terms of the breadth and depth of research coverage, as well as factual consistency. The complete code and data will be released at the following link: https://github.com/ByteDance-BandAI/ReportBench

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.

Recent advancements in machine translation (MT) have significantly enhanced translation quality across various domains. However, the translation of literary texts remains a formidable challenge due to their complex language, figurative expressions, and cultural nuances. In this work, we introduce a novel multi-agent framework based on large language models (LLMs) for literary translation, implemented as a company called TransAgents, which mirrors traditional translation publication process by leveraging the collective capabilities of multiple agents, to address the intricate demands of translating literary works. To evaluate the effectiveness of our system, we propose two innovative evaluation strategies: Monolingual Human Preference (MHP) and Bilingual LLM Preference (BLP). MHP assesses translations from the perspective of monolingual readers of the target language, while BLP uses advanced LLMs to compare translations directly with the original texts. Empirical findings indicate that despite lower d-BLEU scores, translations from TransAgents are preferred by both human evaluators and LLMs over human-written references, particularly in genres requiring domain-specific knowledge. We also highlight the strengths and limitations of TransAgents through case studies and suggests directions for future research.

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 show that domain-general automatic evaluators can significantly improve the performance of agents for web navigation and device control. We experiment with multiple evaluation models that trade off between inference cost, modularity of design, and accuracy. We validate the performance of these models in several popular benchmarks for digital agents, finding between 74.4 and 92.9% agreement with oracle evaluation metrics. Finally, we use these evaluators to improve the performance of existing agents via fine-tuning and inference-time guidance. Without any additional supervision, we improve state-of-the-art performance by 29% on the popular benchmark WebArena, and achieve a 75% relative improvement in a challenging domain transfer scenario.

Chatbots are designed to carry out human-like conversations across different domains, such as general chit-chat, knowledge exchange, and persona-grounded conversations. To measure the quality of such conversational agents, a dialogue evaluator is expected to conduct assessment across domains as well. However, most of the state-of-the-art automatic dialogue evaluation metrics (ADMs) are not designed for multi-domain evaluation. We are motivated to design a general and robust framework, MDD-Eval, to address the problem. Specifically, we first train a teacher evaluator with human-annotated data to acquire a rating skill to tell good dialogue responses from bad ones in a particular domain and then, adopt a self-training strategy to train a new evaluator with teacher-annotated multi-domain data, that helps the new evaluator to generalize across multiple domains. MDD-Eval is extensively assessed on six dialogue evaluation benchmarks. Empirical results show that the MDD-Eval framework achieves a strong performance with an absolute improvement of 7% over the state-of-the-art ADMs in terms of mean Spearman correlation scores across all the evaluation benchmarks.

Retrieval-Augmented Generation (RAG) is a critical technique for grounding Large Language Models (LLMs) in factual evidence, yet evaluating RAG systems in specialized, safety-critical domains remains a significant challenge. Existing evaluation frameworks often rely on heuristic-based metrics that fail to capture domain-specific nuances and other works utilize LLM-as-a-Judge approaches that lack validated alignment with human judgment. This paper introduces RAGalyst, an automated, human-aligned agentic framework designed for the rigorous evaluation of domain-specific RAG systems. RAGalyst features an agentic pipeline that generates high-quality, synthetic question-answering (QA) datasets from source documents, incorporating an agentic filtering step to ensure data fidelity. The framework refines two key LLM-as-a-Judge metrics-Answer Correctness and Answerability-using prompt optimization to achieve a strong correlation with human annotations. Applying this framework to evaluate various RAG components across three distinct domains (military operations, cybersecurity, and bridge engineering), we find that performance is highly context-dependent. No single embedding model, LLM, or hyperparameter configuration proves universally optimal. Additionally, we provide an analysis on the most common low Answer Correctness reasons in RAG. These findings highlight the necessity of a systematic evaluation framework like RAGalyst, which empowers practitioners to uncover domain-specific trade-offs and make informed design choices for building reliable and effective RAG systems. RAGalyst is available on our Github.

Manual curation of evaluation datasets is struggling to keep up with the rapidly expanding capabilities and deployment scenarios of language models. Towards scalable model profiling, we introduce and validate a framework for evaluating LLMs, called Adaptive Evaluations. Adaptive evaluations use scaffolded language models (evaluator agents) to search through a target model's behavior on a domain dataset and create difficult questions (tasks) that can discover and probe the model's failure modes. We find that frontier models lack consistency when adaptively probed with our framework on a diverse suite of datasets and tasks, including but not limited to legal reasoning, forecasting, and online harassment. Generated questions pass human validity checks and often transfer to other models with different capability profiles, demonstrating that adaptive evaluations can also be used to create difficult domain-specific datasets.

Small Language Models (SLMs) offer compelling advantages in deployment cost and latency, but their accuracy often lags behind larger models, particularly for complex domain-specific tasks. While supervised fine-tuning can help bridge this performance gap, it requires substantial manual effort in data preparation and iterative optimization. We present PaDA-Agent (Pattern-guided Data Augmentation Agent), an evaluation-driven approach that streamlines the data augmentation process for SLMs through coordinated operations. Unlike state-of-the-art approaches that focus on model training errors only and generating error-correcting samples, PaDA-Agent discovers failure patterns from the validation data via evaluations and drafts targeted data augmentation strategies aiming to directly reduce the generalization gap. Our experimental results demonstrate significant improvements over state-of-the-art LLM-based data augmentation approaches for Llama 3.2 1B Instruct model fine-tuning.

Knowledge Graphs (KGs) are valuable tools for representing relationships between entities in a structured format. Traditionally, these knowledge bases are queried to extract specific information. However, question-answering (QA) over such KGs poses a challenge due to the intrinsic complexity of natural language compared to the structured format and the size of these graphs. Despite these challenges, the structured nature of KGs can provide a solid foundation for grounding the outputs of Large Language Models (LLMs), offering organizations increased reliability and control. Recent advancements in LLMs have introduced reasoning methods at inference time to improve their performance and maximize their capabilities. In this work, we propose integrating these reasoning strategies with KGs to anchor every step or "thought" of the reasoning chains in KG data. Specifically, we evaluate both agentic and automated search methods across several reasoning strategies, including Chain-of-Thought (CoT), Tree-of-Thought (ToT), and Graph-of-Thought (GoT), using GRBench, a benchmark dataset for graph reasoning with domain-specific graphs. Our experiments demonstrate that this approach consistently outperforms baseline models, highlighting the benefits of grounding LLM reasoning processes in structured KG data.

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.

The rapid rise of Large Language Models (LLMs)-based intelligent agents underscores the need for robust, scalable evaluation frameworks. Existing methods rely on static benchmarks and labor-intensive data collection, limiting practical assessment. We introduce \oursystemname, an open-source Model Context Protocol (MCP)-based framework that automates end-to-end task generation and deep evaluation of LLM agents across diverse domains. MCPEval standardizes metrics, seamlessly integrates with native agent tools, and eliminates manual effort in building evaluation pipelines. Empirical results across five real-world domains show its effectiveness in revealing nuanced, domain-specific performance. We publicly release MCPEval https://github.com/SalesforceAIResearch/MCPEval to promote reproducible and standardized LLM agent evaluation.

Retrieval-augmented generation (RAG) systems improve large language model outputs by incorporating external knowledge, enabling more informed and context-aware responses. However, the effectiveness and trustworthiness of these systems critically depends on how they are evaluated, particularly on whether the evaluation process captures real-world constraints like protecting sensitive information. While current evaluation efforts for RAG systems have primarily focused on the development of performance metrics, far less attention has been given to the design and quality of the underlying evaluation datasets, despite their pivotal role in enabling meaningful, reliable assessments. In this work, we introduce a novel multi-agent framework for generating synthetic QA datasets for RAG evaluation that prioritize semantic diversity and privacy preservation. Our approach involves: (1) a Diversity agent leveraging clustering techniques to maximize topical coverage and semantic variability, (2) a Privacy Agent that detects and mask sensitive information across multiple domains and (3) a QA curation agent that synthesizes private and diverse QA pairs suitable as ground truth for RAG evaluation. Extensive experiments demonstrate that our evaluation sets outperform baseline methods in diversity and achieve robust privacy masking on domain-specific datasets. This work offers a practical and ethically aligned pathway toward safer, more comprehensive RAG system evaluation, laying the foundation for future enhancements aligned with evolving AI regulations and compliance standards.

Most language-based assistants follow a reactive ask-and-respond paradigm, requiring users to explicitly state their needs. As a result, relevant but unexpressed needs often go unmet. Existing proactive agents attempt to address this gap either by eliciting further clarification, preserving this burden, or by extrapolating future needs from context, often leading to unnecessary or mistimed interventions. We introduce ProPer, Proactivity-driven Personalized agents, a novel two-agent architecture consisting of a Dimension Generating Agent (DGA) and a Response Generating Agent (RGA). DGA, a fine-tuned LLM agent, leverages explicit user data to generate multiple implicit dimensions (latent aspects relevant to the user's task but not considered by the user) or knowledge gaps. These dimensions are selectively filtered using a reranker based on quality, diversity, and task relevance. RGA then balances explicit and implicit dimensions to tailor personalized responses with timely and proactive interventions. We evaluate ProPer across multiple domains using a structured, gap-aware rubric that measures coverage, initiative appropriateness, and intent alignment. Our results show that ProPer improves quality scores and win rates across all domains, achieving up to 84% gains in single-turn evaluation and consistent dominance in multi-turn interactions.

The increasing adoption of agentic workflows across diverse domains brings a critical need to scalably and systematically evaluate the complex traces these systems generate. Current evaluation methods depend on manual, domain-specific human analysis of lengthy workflow traces - an approach that does not scale with the growing complexity and volume of agentic outputs. Error analysis in these settings is further complicated by the interplay of external tool outputs and language model reasoning, making it more challenging than traditional software debugging. In this work, we (1) articulate the need for robust and dynamic evaluation methods for agentic workflow traces, (2) introduce a formal taxonomy of error types encountered in agentic systems, and (3) present a set of 148 large human-annotated traces (TRAIL) constructed using this taxonomy and grounded in established agentic benchmarks. To ensure ecological validity, we curate traces from both single and multi-agent systems, focusing on real-world applications such as software engineering and open-world information retrieval. Our evaluations reveal that modern long context LLMs perform poorly at trace debugging, with the best Gemini-2.5-pro model scoring a mere 11% on TRAIL. Our dataset and code are made publicly available to support and accelerate future research in scalable evaluation for agentic workflows.

The Model Context Protocol has emerged as a transformative standard for connecting large language models to external data sources and tools, rapidly gaining adoption across major AI providers and development platforms. However, existing benchmarks are overly simplistic and fail to capture real application challenges such as long-horizon reasoning and large, unfamiliar tool spaces. To address this critical gap, we introduce MCP-Universe, the first comprehensive benchmark specifically designed to evaluate LLMs in realistic and hard tasks through interaction with real-world MCP servers. Our benchmark encompasses 6 core domains spanning 11 different MCP servers: Location Navigation, Repository Management, Financial Analysis, 3D Design, Browser Automation, and Web Searching. To ensure rigorous evaluation, we implement execution-based evaluators, including format evaluators for agent format compliance, static evaluators for time-invariant content matching, and dynamic evaluators that automatically retrieve real-time ground truth for temporally sensitive tasks. Through extensive evaluation of leading LLMs, we find that even SOTA models such as GPT-5 (43.72%), Grok-4 (33.33%) and Claude-4.0-Sonnet (29.44%) exhibit significant performance limitations. In addition, our benchmark poses a significant long-context challenge for LLM agents, as the number of input tokens increases rapidly with the number of interaction steps. Moreover, it introduces an unknown-tools challenge, as LLM agents often lack familiarity with the precise usage of the MCP servers. Notably, enterprise-level agents like Cursor cannot achieve better performance than standard ReAct frameworks. Beyond evaluation, we open-source our extensible evaluation framework with UI support, enabling researchers and practitioners to seamlessly integrate new agents and MCP servers while fostering innovation in the rapidly evolving MCP ecosystem.

Data visualization in the form of charts plays a pivotal role in data analysis, offering critical insights and aiding in informed decision-making. Automatic chart understanding has witnessed significant advancements with the rise of large foundation models in recent years. Foundation models, such as large language models, have revolutionized various natural language processing tasks and are increasingly being applied to chart understanding tasks. This survey paper provides a comprehensive overview of the recent developments, challenges, and future directions in chart understanding within the context of these foundation models. We review fundamental building blocks crucial for studying chart understanding tasks. Additionally, we explore various tasks and their evaluation metrics and sources of both charts and textual inputs. Various modeling strategies are then examined, encompassing both classification-based and generation-based approaches, along with tool augmentation techniques that enhance chart understanding performance. Furthermore, we discuss the state-of-the-art performance of each task and discuss how we can improve the performance. Challenges and future directions are addressed, highlighting the importance of several topics, such as domain-specific charts, lack of efforts in developing evaluation metrics, and agent-oriented settings. This survey paper serves as a comprehensive resource for researchers and practitioners in the fields of natural language processing, computer vision, and data analysis, providing valuable insights and directions for future research in chart understanding leveraging large foundation models. The studies mentioned in this paper, along with emerging new research, will be continually updated at: https://github.com/khuangaf/Awesome-Chart-Understanding.

The explosive growth in academic literature necessitates automated deep research (DR) agents, yet their evaluation remains a significant challenge. First, existing benchmarks often focus narrowly on retrieval while neglecting high-level planning and reasoning. Second, existing benchmarks favor general domains over the scientific domains that are the core application for DR agents. To address these gaps, we introduce Dr.Mi-Bench, a Modular-integrated benchmark for scientific DR agents. Grounded in academic literature, our benchmark uses a human-annotated dataset of 200 instances across 10 scientific domains, including both research and review papers. Besides, we also propose a Modular-integrated Evaluation Paradigm for DR Agents (Dr.Mi-Eval), a novel modular-integrated evaluation paradigm, which leverages the rich structure of academic papers to assess the core competencies of planning, retrieval, and reasoning through two complementary modes: an end-to-end evaluation for DR agents and an isolated evaluation for foundational LLMs as potential backbones. Experimental results reveal a fragmented performance landscape: agents exhibit specialized strengths but share critical weaknesses, most notably in performing the multi-source retrieval required for review-style tasks and performing consistently across diverse scientific fields. Moreover, improving high-level planning capability is the crucial factor for unlocking the reasoning potential of foundational LLMs as backbones. By exposing these actionable failure modes, Dr.Mi-Bench provides a diagnostic tool to guide the development of more reliable academic research assistants.

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

Large language models (LLMs) have been shown to perform better when scaffolded into agents with memory, tools, and feedback. Beyond this, self-evolving agents have emerged, but current work largely limits adaptation to prompt rewriting or failure retries. Therefore, we present ALITA-G, a self-evolution framework that transforms a general-purpose agent into a domain expert by systematically generating, abstracting, and curating Model Context Protocol (MCP) tools. In this framework, a generalist agent executes a curated suite of target-domain tasks and synthesizes candidate MCPs from successful trajectories. These are then abstracted to parameterized primitives and consolidated into an MCP Box. At inference time, ALITA-G performs retrieval-augmented MCP selection with the help of each tool's descriptions and use cases, before executing an agent equipped with the MCP Executor. Across several benchmarks GAIA, PathVQA, and Humanity's Last Exam, ALITA-G attains strong gains while reducing computation costs. On GAIA validation, it achieves 83.03% pass@1 and 89.09% pass@3, establishing a new state-of-the-art result while reducing mean tokens per example by approximately 15% relative to a strong baseline agent. ALITA-G thus provides a principled pathway from generalist capability to reusable, domain-specific competence, improving both accuracy and efficiency on complex reasoning tasks.

Embodied capabilities refer to a suite of fundamental abilities for an agent to perceive, comprehend, and interact with the physical world. While multimodal large language models (MLLMs) show promise as embodied agents, a thorough and systematic evaluation of their embodied capabilities remains underexplored, as existing benchmarks primarily focus on specific domains such as planning or spatial understanding. To bridge this gap, we introduce BEAR, a comprehensive and fine-grained benchmark that evaluates MLLMs on atomic embodied capabilities. BEAR comprises 4,469 interleaved image-video-text entries across 14 domains in 6 categories, including tasks from low-level pointing, trajectory understanding, spatial reasoning, to high-level planning. Extensive evaluation results of 20 representative MLLMs reveal their persistent limitations across all domains of embodied capabilities. To tackle the shortfall, we propose BEAR-Agent, a multimodal conversable agent that integrates pretrained vision models to strengthen MLLM perception, 3D understanding, and planning capabilities. It substantially enhances MLLM performance across diverse embodied capabilities on BEAR, yielding a 9.12% absolute gain and a relative improvement of 17.5% on GPT-5. Furthermore, our experiments indicate that improving MLLM embodied capabilities can benefit embodied tasks in simulated environments. Project website: https://bear-official66.github.io/

Therapeutic development is a costly and high-risk endeavor that is often plagued by high failure rates. To address this, we introduce TxGemma, a suite of efficient, generalist large language models (LLMs) capable of therapeutic property prediction as well as interactive reasoning and explainability. Unlike task-specific models, TxGemma synthesizes information from diverse sources, enabling broad application across the therapeutic development pipeline. The suite includes 2B, 9B, and 27B parameter models, fine-tuned from Gemma-2 on a comprehensive dataset of small molecules, proteins, nucleic acids, diseases, and cell lines. Across 66 therapeutic development tasks, TxGemma achieved superior or comparable performance to the state-of-the-art generalist model on 64 (superior on 45), and against state-of-the-art specialist models on 50 (superior on 26). Fine-tuning TxGemma models on therapeutic downstream tasks, such as clinical trial adverse event prediction, requires less training data than fine-tuning base LLMs, making TxGemma suitable for data-limited applications. Beyond these predictive capabilities, TxGemma features conversational models that bridge the gap between general LLMs and specialized property predictors. These allow scientists to interact in natural language, provide mechanistic reasoning for predictions based on molecular structure, and engage in scientific discussions. Building on this, we further introduce Agentic-Tx, a generalist therapeutic agentic system powered by Gemini 2.5 that reasons, acts, manages diverse workflows, and acquires external domain knowledge. Agentic-Tx surpasses prior leading models on the Humanity's Last Exam benchmark (Chemistry & Biology) with 52.3% relative improvement over o3-mini (high) and 26.7% over o3-mini (high) on GPQA (Chemistry) and excels with improvements of 6.3% (ChemBench-Preference) and 2.4% (ChemBench-Mini) over o3-mini (high).

Large Language Models (LLMs) are increasingly used as evaluators in natural language processing tasks, a paradigm known as LLM-as-a-Judge (LaaJ). While effective in general domains, LaaJs pose significant challenges in domain-specific contexts, where annotated data is scarce and expert evaluation is costly. In such cases, meta-evaluation is often performed using metrics that have not been validated for the specific domain in which they are applied. As a result, it becomes difficult to determine which metrics effectively identify LaaJ quality, and further, what threshold indicates sufficient evaluator performance. In this work, we introduce LaaJMeter, a simulation-based framework for controlled meta-evaluation of LaaJs. LaaJMeter enables engineers to generate synthetic data representing virtual models and judges, allowing systematic analysis of evaluation metrics under realistic conditions. This helps practitioners validate and refine LaaJs for specific evaluation tasks: they can test whether their metrics correctly distinguish between better and worse (virtual) LaaJs, and estimate appropriate thresholds for evaluator adequacy. We demonstrate the utility of LaaJMeter in a code translation task involving a legacy programming language, showing how different metrics vary in sensitivity to evaluator quality. Our results highlight the limitations of common metrics and the importance of principled metric selection. LaaJMeter provides a scalable and extensible solution for assessing LaaJs in low-resource settings, contributing to the broader effort to ensure trustworthy and reproducible evaluation in NLP.

Evaluation of large language models (LLMs) has raised great concerns in the community due to the issue of data contamination. Existing work designed evaluation protocols using well-defined algorithms for specific tasks, which cannot be easily extended to diverse scenarios. Moreover, current evaluation benchmarks can only provide the overall benchmark results and cannot support a fine-grained and multifaceted analysis of LLMs' abilities. In this paper, we propose meta probing agents (MPA), a general dynamic evaluation protocol inspired by psychometrics to evaluate LLMs. MPA is the key component of DyVal 2, which naturally extends the previous DyVal~zhu2023dyval. MPA designs the probing and judging agents to automatically transform an original evaluation problem into a new one following psychometric theory on three basic cognitive abilities: language understanding, problem solving, and domain knowledge. These basic abilities are also dynamically configurable, allowing multifaceted analysis. We conducted extensive evaluations using MPA and found that most LLMs achieve poorer performance, indicating room for improvement. Our multifaceted analysis demonstrated the strong correlation between the basic abilities and an implicit Matthew effect on model size, i.e., larger models possess stronger correlations of the abilities. MPA can also be used as a data augmentation approach to enhance LLMs. Code is available at: https://github.com/microsoft/promptbench.

Recently, there has been a growing trend of utilizing Large Language Model (LLM) to evaluate the quality of other LLMs. Many studies have employed proprietary close-source models, especially GPT4, as the evaluator. Alternatively, other works have fine-tuned judge models based on open-source LLMs as the evaluator. In this study, we conduct an empirical study of different judge models on their evaluation capability. Our findings indicate that although the fine-tuned judge models achieve high accuracy on in-domain test sets, even surpassing GPT4, they are inherently task-specific classifiers, and their generalizability and fairness severely underperform GPT4.

Evaluation of language model outputs on structured writing tasks is typically conducted with a number of desirable criteria presented to human evaluators or large language models (LLMs). For instance, on a prompt like "Help me draft an academic talk on coffee intake vs research productivity", a model response may be evaluated for criteria like accuracy and coherence. However, high-quality responses should do more than just satisfy basic task requirements. An effective response to this query should include quintessential features of an academic talk, such as a compelling opening, clear research questions, and a takeaway. To help identify these implicit criteria, we introduce EvalAgent, a novel framework designed to automatically uncover nuanced and task-specific criteria. EvalAgent first mines expert-authored online guidance. It then uses this evidence to propose diverse, long-tail evaluation criteria that are grounded in reliable external sources. Our experiments demonstrate that the grounded criteria produced by EvalAgent are often implicit (not directly stated in the user's prompt), yet specific (high degree of lexical precision). Further, EvalAgent criteria are often not satisfied by initial responses but they are actionable, such that responses can be refined to satisfy them. Finally, we show that combining LLM-generated and EvalAgent criteria uncovers more human-valued criteria than using LLMs alone.

Over the recent years, the emergence of large language models (LLMs) has given rise to a proliferation of domain-specific models that are intended to reflect the particularities of linguistic context and content as a correlate of the originating domain. This paper details the conception, design, training and evaluation of DAEDRA, a LLM designed to detect regulatory-relevant outcomes (mortality, ER attendance and hospitalisation) in adverse event reports elicited through passive reporting (PR). While PR is a highly cost-efficient way of eliciting information from a wide and diverse audience -- typically including not only physicians and healthcare providers but also patients, family members and other lay stakeholders --, this diversity makes PR corpora difficult to analyse. Generic language models may not capture the complex clinical dimensions while specific clinical or biomedical models may not perform well on lay reports. To evaluate the utility of a subdomain-specific language model, an adaptive training approach was adapted, wherein base language model candidates were evaluated on a subset of the corpus, and the best performer was trained on the entire corpus. This yielded a small but significant improvement in F_1 (+1%), precision (+2.5%) and recall (+3.8%), at a relatively low training cost and a single-day training time. Subdomain-specific LLMs continue to be viable options for better results when analysing highly specialised corpora.

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized context of pharmaceutical research. This limitation prevents practitioners from making full use of the latest AI developments in drug discovery. To address this challenge, we introduce DrugAgent, a multi-agent framework that automates machine learning (ML) programming for drug discovery tasks. DrugAgent employs an LLM Planner that formulates high-level ideas and an LLM Instructor that identifies and integrates domain knowledge when implementing those ideas. We present case studies on three representative drug discovery tasks. Our results show that DrugAgent consistently outperforms leading baselines, including a relative improvement of 4.92% in ROC-AUC compared to ReAct for drug-target interaction (DTI). DrugAgent is publicly available at https://anonymous.4open.science/r/drugagent-5C42/.

Due to the cumbersome nature of human evaluation and limitations of code-based evaluation, Large Language Models (LLMs) are increasingly being used to assist humans in evaluating LLM outputs. Yet LLM-generated evaluators simply inherit all the problems of the LLMs they evaluate, requiring further human validation. We present a mixed-initiative approach to ``validate the validators'' -- aligning LLM-generated evaluation functions (be it prompts or code) with human requirements. Our interface, EvalGen, provides automated assistance to users in generating evaluation criteria and implementing assertions. While generating candidate implementations (Python functions, LLM grader prompts), EvalGen asks humans to grade a subset of LLM outputs; this feedback is used to select implementations that better align with user grades. A qualitative study finds overall support for EvalGen but underscores the subjectivity and iterative process of alignment. In particular, we identify a phenomenon we dub criteria drift: users need criteria to grade outputs, but grading outputs helps users define criteria. What is more, some criteria appears dependent on the specific LLM outputs observed (rather than independent criteria that can be defined a priori), raising serious questions for approaches that assume the independence of evaluation from observation of model outputs. We present our interface and implementation details, a comparison of our algorithm with a baseline approach, and implications for the design of future LLM evaluation assistants.

High-dimensional decision-making tasks, such as business partner selection, involve evaluating large candidate pools with heterogeneous numerical, categorical, and textual features. While large language models (LLMs) offer strong in-context reasoning capabilities, single-agent or debate-style systems often struggle with scalability and consistency in such settings. We propose PartnerMAS, a hierarchical multi-agent framework that decomposes evaluation into three layers: a Planner Agent that designs strategies, Specialized Agents that perform role-specific assessments, and a Supervisor Agent that integrates their outputs. To support systematic evaluation, we also introduce a curated benchmark dataset of venture capital co-investments, featuring diverse firm attributes and ground-truth syndicates. Across 140 cases, PartnerMAS consistently outperforms single-agent and debate-based multi-agent baselines, achieving up to 10--15\% higher match rates. Analysis of agent reasoning shows that planners are most responsive to domain-informed prompts, specialists produce complementary feature coverage, and supervisors play an important role in aggregation. Our findings demonstrate that structured collaboration among LLM agents can generate more robust outcomes than scaling individual models, highlighting PartnerMAS as a promising framework for high-dimensional decision-making in data-rich domains.

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

Chatbots are expected to be knowledgeable across multiple domains, e.g. for daily chit-chat, exchange of information, and grounding in emotional situations. To effectively measure the quality of such conversational agents, a model-based automatic dialogue evaluation metric (ADEM) is expected to perform well across multiple domains. Despite significant progress, an ADEM that works well in one domain does not necessarily generalize to another. This calls for a dedicated network architecture for domain generalization. To tackle the multi-domain dialogue evaluation task, we propose a Panel of Experts (PoE), a multitask network that consists of a shared transformer encoder and a collection of lightweight adapters. The shared encoder captures the general knowledge of dialogues across domains, while each adapter specializes in one specific domain and serves as a domain expert. To validate the idea, we construct a high-quality multi-domain dialogue dataset leveraging data augmentation and pseudo-labeling. The PoE network is comprehensively assessed on 16 dialogue evaluation datasets spanning a wide range of dialogue domains. It achieves state-of-the-art performance in terms of mean Spearman correlation over all the evaluation datasets. It exhibits better zero-shot generalization than existing state-of-the-art ADEMs and the ability to easily adapt to new domains with few-shot transfer learning.

Agents based on large language models (LLMs) have demonstrated effectiveness in solving a wide range of tasks by integrating LLMs with key modules such as planning, memory, and tool usage. Increasingly, customers are adopting LLM agents across a variety of commercial applications critical to reliability, including support for mental well-being, chemical synthesis, and software development. Nevertheless, our observations and daily use of LLM agents indicate that they are prone to making erroneous plans, especially when the tasks are complex and require long-term planning. In this paper, we propose PDoctor, a novel and automated approach to testing LLM agents and understanding their erroneous planning. As the first work in this direction, we formulate the detection of erroneous planning as a constraint satisfiability problem: an LLM agent's plan is considered erroneous if its execution violates the constraints derived from the user inputs. To this end, PDoctor first defines a domain-specific language (DSL) for user queries and synthesizes varying inputs with the assistance of the Z3 constraint solver. These synthesized inputs are natural language paragraphs that specify the requirements for completing a series of tasks. Then, PDoctor derives constraints from these requirements to form a testing oracle. We evaluate PDoctor with three mainstream agent frameworks and two powerful LLMs (GPT-3.5 and GPT-4). The results show that PDoctor can effectively detect diverse errors in agent planning and provide insights and error characteristics that are valuable to both agent developers and users. We conclude by discussing potential alternative designs and directions to extend PDoctor.

Large Language Model agents are reshaping the industrial landscape. However, most practical agents remain human-designed because tasks differ widely, making them labor-intensive to build. This situation poses a central question: can we automatically create and adapt domain agents in the wild? While several recent approaches have sought to automate agent creation, they typically treat agent generation as a black-box procedure and rely solely on final performance metrics to guide the process. Such strategies overlook critical evidence explaining why an agent succeeds or fails, and often require high computational costs. To address these limitations, we propose ReCreate, an experience-driven framework for the automatic creation of domain agents. ReCreate systematically leverages agent interaction histories, which provide rich concrete signals on both the causes of success or failure and the avenues for improvement. Specifically, we introduce an agent-as-optimizer paradigm that effectively learns from experience via three key components: (i) an experience storage and retrieval mechanism for on-demand inspection; (ii) a reasoning-creating synergy pipeline that maps execution experience into scaffold edits; and (iii) hierarchical updates that abstract instance-level details into reusable domain patterns. In experiments across diverse domains, ReCreate consistently outperforms human-designed agents and existing automated agent generation methods, even when starting from minimal seed scaffolds.

Agents are rapidly advancing in automating digital work, but enterprises face a harder challenge: moving beyond prototypes to deployed systems that deliver measurable business value. This path is complicated by fragmented frameworks, slow development, and the absence of standardized evaluation practices. Generalist agents have emerged as a promising direction, excelling on academic benchmarks and offering flexibility across task types, applications, and modalities. Yet, evidence of their use in production enterprise settings remains limited. This paper reports IBM's experience developing and piloting the Computer Using Generalist Agent (CUGA), which has been open-sourced for the community (https://github.com/cuga-project/cuga-agent). CUGA adopts a hierarchical planner--executor architecture with strong analytical foundations, achieving state-of-the-art performance on AppWorld and WebArena. Beyond benchmarks, it was evaluated in a pilot within the Business-Process-Outsourcing talent acquisition domain, addressing enterprise requirements for scalability, auditability, safety, and governance. To support assessment, we introduce BPO-TA, a 26-task benchmark spanning 13 analytics endpoints. In preliminary evaluations, CUGA approached the accuracy of specialized agents while indicating potential for reducing development time and cost. Our contribution is twofold: presenting early evidence of generalist agents operating at enterprise scale, and distilling technical and organizational lessons from this initial pilot. We outline requirements and next steps for advancing research-grade architectures like CUGA into robust, enterprise-ready systems.

The vision of a broadly capable and goal-directed agent, such as an Internet-browsing agent in the digital world and a household humanoid in the physical world, has rapidly advanced, thanks to the generalization capability of foundation models. Such a generalist agent needs to have a large and diverse skill repertoire, such as finding directions between two travel locations and buying specific items from the Internet. If each skill needs to be specified manually through a fixed set of human-annotated instructions, the agent's skill repertoire will necessarily be limited due to the quantity and diversity of human-annotated instructions. In this work, we address this challenge by proposing Proposer-Agent-Evaluator, an effective learning system that enables foundation model agents to autonomously discover and practice skills in the wild. At the heart of PAE is a context-aware task proposer that autonomously proposes tasks for the agent to practice with context information of the environment such as user demos or even just the name of the website itself for Internet-browsing agents. Then, the agent policy attempts those tasks with thoughts and actual grounded operations in the real world with resulting trajectories evaluated by an autonomous VLM-based success evaluator. The success evaluation serves as the reward signal for the agent to refine its policies through RL. We validate PAE on challenging vision-based web navigation, using both real-world and self-hosted websites from WebVoyager and WebArena.To the best of our knowledge, this work represents the first effective learning system to apply autonomous task proposal with RL for agents that generalizes real-world human-annotated benchmarks with SOTA performances. Our open-source checkpoints and code can be found in https://yanqval.github.io/PAE/

Understanding and reasoning on the web-scale scientific literature is a crucial touchstone for large language model (LLM) based agents designed to support complex knowledge-intensive tasks. However, existing works are mainly restricted to tool-free tasks within isolated papers, largely due to the lack of a benchmark for cross-paper reasoning and multi-tool orchestration in real research scenarios. In this work, we propose PaperArena, an evaluation benchmark for agents to address real-world research questions that typically require integrating information across multiple papers with the assistance of external tools. Given a research question, agents should integrate diverse formats across multiple papers through reasoning and interacting with appropriate tools, thereby producing a well-grounded answer. To support standardized evaluation, we provide a modular and extensible platform for agent execution, offering tools such as multimodal parsing, context retrieval, and programmatic computation. Experimental results reveal that even the most advanced LLM powering a well-established agent system achieves merely 38.78% average accuracy. On the hard subset, accuracy drops to only 18.47%, highlighting great potential for improvement. We also present several empirical findings, including that all agents tested exhibit inefficient tool usage, often invoking more tools than necessary to solve a task. We invite the community to adopt PaperArena to develop and evaluate more capable agents for scientific discovery. Our code and data are available https://github.com/Melmaphother/PaperArena.

To enhance the efficiency of GUI agents on various platforms like smartphones and computers, a hybrid paradigm that combines flexible GUI operations with efficient shortcuts (e.g., API, deep links) is emerging as a promising direction. However, a framework for systematically benchmarking these hybrid agents is still underexplored. To take the first step in bridging this gap, we introduce MAS-Bench, a benchmark that pioneers the evaluation of GUI-shortcut hybrid agents with a specific focus on the mobile domain. Beyond merely using predefined shortcuts, MAS-Bench assesses an agent's capability to autonomously generate shortcuts by discovering and creating reusable, low-cost workflows. It features 139 complex tasks across 11 real-world applications, a knowledge base of 88 predefined shortcuts (APIs, deep-links, RPA scripts), and 7 evaluation metrics. The tasks are designed to be solvable via GUI-only operations, but can be significantly accelerated by intelligently embedding shortcuts. Experiments show that hybrid agents achieve significantly higher success rates and efficiency than their GUI-only counterparts. This result also demonstrates the effectiveness of our method for evaluating an agent's shortcut generation capabilities. MAS-Bench fills a critical evaluation gap, providing a foundational platform for future advancements in creating more efficient and robust intelligent agents.

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.

Multi-Modal Large Language Models (MLLMs), despite being successful, exhibit limited generality and often fall short when compared to specialized models. Recently, LLM-based agents have been developed to address these challenges by selecting appropriate specialized models as tools based on user inputs. However, such advancements have not been extensively explored within the medical domain. To bridge this gap, this paper introduces the first agent explicitly designed for the medical field, named Multi-modal Medical Agent (MMedAgent). We curate an instruction-tuning dataset comprising six medical tools solving seven tasks across five modalities, enabling the agent to choose the most suitable tools for a given task. Comprehensive experiments demonstrate that MMedAgent achieves superior performance across a variety of medical tasks compared to state-of-the-art open-source methods and even the closed-source model, GPT-4o. Furthermore, MMedAgent exhibits efficiency in updating and integrating new medical tools. Codes and models are all available.

Despite the utility of Large Language Models (LLMs) across a wide range of tasks and scenarios, developing a method for reliably evaluating LLMs across varied contexts continues to be challenging. Modern evaluation approaches often use LLMs to assess responses generated by LLMs. However, the meta-evaluation conducted to assess the effectiveness of these LLMs as evaluators is typically constrained by the coverage of existing benchmarks or requires extensive human annotation. This underscores the urgency of methods for scalable meta-evaluation that can effectively, reliably, and efficiently evaluate the performance of LLMs as evaluators across diverse tasks and scenarios, particularly in potentially new, user-defined scenarios. To fill this gap, we propose ScaleEval, an agent-debate-assisted meta-evaluation framework that leverages the capabilities of multiple communicative LLM agents. This framework supports multi-round discussions to assist human annotators in discerning the most capable LLMs as evaluators, which significantly eases their workload in cases that used to require large-scale annotations during meta-evaluation. We release the code for our framework, which is publicly available at: https://github.com/GAIR-NLP/scaleeval.

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

Automatic evaluation with large language models, commonly known as LLM-as-a-judge, is now standard across reasoning and alignment tasks. Despite evaluating many samples in deployment, these evaluators typically (i) treat each case independently, missing the opportunity to accumulate experience, and (ii) rely on a single fixed prompt for all cases, neglecting the need for sample-specific evaluation criteria. We introduce Learning While Evaluating (LWE), a framework that allows evaluators to improve sequentially at inference time without requiring training or validation sets. LWE maintains an evolving meta-prompt that (i) produces sample-specific evaluation instructions and (ii) refines itself through self-generated feedback. Furthermore, we propose Selective LWE, which updates the meta-prompt only on self-inconsistent cases, focusing computation where it matters most. This selective approach retains the benefits of sequential learning while being far more cost-effective. Across two pairwise comparison benchmarks, Selective LWE outperforms strong baselines, empirically demonstrating that evaluators can improve during sequential testing with a simple selective update, learning most from the cases they struggle with.

Recent advances in Language Model (LM) agents and tool use, exemplified by applications like ChatGPT Plugins, enable a rich set of capabilities but also amplify potential risks - such as leaking private data or causing financial losses. Identifying these risks is labor-intensive, necessitating implementing the tools, manually setting up the environment for each test scenario, and finding risky cases. As tools and agents become more complex, the high cost of testing these agents will make it increasingly difficult to find high-stakes, long-tailed risks. To address these challenges, we introduce ToolEmu: a framework that uses an LM to emulate tool execution and enables the testing of LM agents against a diverse range of tools and scenarios, without manual instantiation. Alongside the emulator, we develop an LM-based automatic safety evaluator that examines agent failures and quantifies associated risks. We test both the tool emulator and evaluator through human evaluation and find that 68.8% of failures identified with ToolEmu would be valid real-world agent failures. Using our curated initial benchmark consisting of 36 high-stakes tools and 144 test cases, we provide a quantitative risk analysis of current LM agents and identify numerous failures with potentially severe outcomes. Notably, even the safest LM agent exhibits such failures 23.9% of the time according to our evaluator, underscoring the need to develop safer LM agents for real-world deployment.

Scientific Research, vital for improving human life, is hindered by its inherent complexity, slow pace, and the need for specialized experts. To enhance its productivity, we propose a ResearchAgent, a large language model-powered research idea writing agent, which automatically generates problems, methods, and experiment designs while iteratively refining them based on scientific literature. Specifically, starting with a core paper as the primary focus to generate ideas, our ResearchAgent is augmented not only with relevant publications through connecting information over an academic graph but also entities retrieved from an entity-centric knowledge store based on their underlying concepts, mined and shared across numerous papers. In addition, mirroring the human approach to iteratively improving ideas with peer discussions, we leverage multiple ReviewingAgents that provide reviews and feedback iteratively. Further, they are instantiated with human preference-aligned large language models whose criteria for evaluation are derived from actual human judgments. We experimentally validate our ResearchAgent on scientific publications across multiple disciplines, showcasing its effectiveness in generating novel, clear, and valid research ideas based on human and model-based evaluation results.

In natural language processing applied to the clinical domain, utilizing large language models has emerged as a promising avenue for error detection and correction on clinical notes, a knowledge-intensive task for which annotated data is scarce. This paper presents MedReAct'N'MedReFlex, which leverages a suite of four LLM-based medical agents. The MedReAct agent initiates the process by observing, analyzing, and taking action, generating trajectories to guide the search to target a potential error in the clinical notes. Subsequently, the MedEval agent employs five evaluators to assess the targeted error and the proposed correction. In cases where MedReAct's actions prove insufficient, the MedReFlex agent intervenes, engaging in reflective analysis and proposing alternative strategies. Finally, the MedFinalParser agent formats the final output, preserving the original style while ensuring the integrity of the error correction process. One core component of our method is our RAG pipeline based on our ClinicalCorp corpora. Among other well-known sources containing clinical guidelines and information, we preprocess and release the open-source MedWiki dataset for clinical RAG application. Our results demonstrate the central role of our RAG approach with ClinicalCorp leveraged through the MedReAct'N'MedReFlex framework. It achieved the ninth rank on the MEDIQA-CORR 2024 final leaderboard.

Large Language Models (LLMs) are increasingly relied upon to evaluate text outputs of other LLMs, thereby influencing leaderboards and development decisions. However, concerns persist over the accuracy of these assessments and the potential for misleading conclusions. In this work, we investigate the effectiveness of LLMs as evaluators for text generation tasks. We propose FBI, a novel framework designed to examine the proficiency of Evaluator LLMs in assessing four critical abilities in other LLMs: factual accuracy, instruction following, coherence in long-form writing, and reasoning proficiency. By introducing targeted perturbations in answers generated by LLMs, that clearly impact one of these key capabilities, we test whether an Evaluator LLM can detect these quality drops. By creating a total of 2400 perturbed answers covering 22 perturbation categories, we conduct a comprehensive study using different evaluation strategies on five prominent LLMs commonly used as evaluators in the literature. Our findings reveal significant shortcomings in current Evaluator LLMs, which failed to identify quality drops in over 50\% of cases on average. Single-answer and pairwise evaluations demonstrated notable limitations, whereas reference-based evaluations showed comparatively better performance. These results underscore the unreliable nature of current Evaluator LLMs and advocate for cautious implementation in practical applications. Code and data are available at https://github.com/AI4Bharat/FBI.

Data science agents promise to accelerate discovery and insight-generation by turning data into executable analyses and findings. Yet existing data science benchmarks fall short due to fragmented evaluation interfaces that make cross-benchmark comparison difficult, narrow task coverage and a lack of rigorous data grounding. In particular, we show that a substantial portion of tasks in current benchmarks can be solved without using the actual data. To address these limitations, we introduce DSGym, a standardized framework for evaluating and training data science agents in self-contained execution environments. Unlike static benchmarks, DSGym provides a modular architecture that makes it easy to add tasks, agent scaffolds, and tools, positioning it as a live, extensible testbed. We curate DSGym-Tasks, a holistic task suite that standardizes and refines existing benchmarks via quality and shortcut solvability filtering. We further expand coverage with (1) DSBio: expert-derived bioinformatics tasks grounded in literature and (2) DSPredict: challenging prediction tasks spanning domains such as computer vision, molecular prediction, and single-cell perturbation. Beyond evaluation, DSGym enables agent training via execution-verified data synthesis pipeline. As a case study, we build a 2,000-example training set and trained a 4B model in DSGym that outperforms GPT-4o on standardized analysis benchmarks. Overall, DSGym enables rigorous end-to-end measurement of whether agents can plan, implement, and validate data analyses in realistic scientific context.

As research in large language models (LLMs) continues to accelerate, LLM-based evaluation has emerged as a scalable and cost-effective alternative to human evaluations for comparing the ever increasing list of models. This paper investigates the efficacy of these "LLM evaluators", particularly in using them to assess instruction following, a metric that gauges how closely generated text adheres to the given instruction. We introduce a challenging meta-evaluation benchmark, LLMBar, designed to test the ability of an LLM evaluator in discerning instruction-following outputs. The authors manually curated 419 pairs of outputs, one adhering to instructions while the other diverging, yet may possess deceptive qualities that mislead an LLM evaluator, e.g., a more engaging tone. Contrary to existing meta-evaluation, we discover that different evaluators (i.e., combinations of LLMs and prompts) exhibit distinct performance on LLMBar and even the highest-scoring ones have substantial room for improvement. We also present a novel suite of prompting strategies that further close the gap between LLM and human evaluators. With LLMBar, we hope to offer more insight into LLM evaluators and foster future research in developing better instruction-following models.

Recently, extensive deep learning architectures and pretraining strategies have been explored to support downstream protein applications. Additionally, domain-specific models incorporating biological knowledge have been developed to enhance performance in specialized tasks. In this work, we introduce Protap, a comprehensive benchmark that systematically compares backbone architectures, pretraining strategies, and domain-specific models across diverse and realistic downstream protein applications. Specifically, Protap covers five applications: three general tasks and two novel specialized tasks, i.e., enzyme-catalyzed protein cleavage site prediction and targeted protein degradation, which are industrially relevant yet missing from existing benchmarks. For each application, Protap compares various domain-specific models and general architectures under multiple pretraining settings. Our empirical studies imply that: (i) Though large-scale pretraining encoders achieve great results, they often underperform supervised encoders trained on small downstream training sets. (ii) Incorporating structural information during downstream fine-tuning can match or even outperform protein language models pretrained on large-scale sequence corpora. (iii) Domain-specific biological priors can enhance performance on specialized downstream tasks. Code and datasets are publicly available at https://github.com/Trust-App-AI-Lab/protap.

Large Language Model (LLM) integrations into applications like Microsoft365 suite and Google Workspace for creating/processing documents, emails, presentations, etc. has led to considerable enhancements in productivity and time savings. But as these integrations become more more complex, it is paramount to ensure that the quality of output from the LLM-integrated applications are relevant and appropriate for use. Identifying the need to develop robust evaluation approaches for natural language generation, wherein references/ground labels doesn't exist or isn't amply available, this paper introduces a novel framework called "SAGEval" which utilizes a critiquing Agent to provide feedback on scores generated by LLM evaluators. We show that the critiquing Agent is able to rectify scores from LLM evaluators, in absence of references/ground-truth labels, thereby reducing the need for labeled data even for complex NLG evaluation scenarios, like the generation of JSON-structured forms/surveys with responses in different styles like multiple choice, likert ratings, single choice questions, etc.

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

Large Language Models (LLMs) have 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.

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

Model-based evaluation is at the heart of successful model development -- as a reward model for training, and as a replacement for human evaluation. To train such evaluators, the standard approach is to collect a large amount of human preference judgments over model responses, which is costly and the data becomes stale as models improve. In this work, we present an approach that aims to im-prove evaluators without human annotations, using synthetic training data only. Starting from unlabeled instructions, our iterative self-improvement scheme generates contrasting model outputs and trains an LLM-as-a-Judge to produce reasoning traces and final judgments, repeating this training at each new iteration using the improved predictions. Without any labeled preference data, our Self-Taught Evaluator can improve a strong LLM (Llama3-70B-Instruct) from 75.4 to 88.3 (88.7 with majority vote) on RewardBench. This outperforms commonly used LLM judges such as GPT-4 and matches the performance of the top-performing reward models trained with labeled examples.

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.

The formidable capacity for zero- or few-shot decision-making in language agents encourages us to pose a compelling question: Can language agents be alternatives to PPO agents in traditional sequential decision-making tasks? To investigate this, we first take environments collected in OpenAI Gym as our testbeds and ground them to textual environments that construct the TextGym simulator. This allows for straightforward and efficient comparisons between PPO agents and language agents, given the widespread adoption of OpenAI Gym. To ensure a fair and effective benchmarking, we introduce 5 levels of scenario for accurate domain-knowledge controlling and a unified RL-inspired framework for language agents. Additionally, we propose an innovative explore-exploit-guided language (EXE) agent to solve tasks within TextGym. Through numerical experiments and ablation studies, we extract valuable insights into the decision-making capabilities of language agents and make a preliminary evaluation of their potential to be alternatives to PPO in classical sequential decision-making problems. This paper sheds light on the performance of language agents and paves the way for future research in this exciting domain. Our code is publicly available at~https://github.com/mail-ecnu/Text-Gym-Agents.

Comprehensive, unbiased, and comparable evaluation of modern generalist policies is uniquely challenging: existing approaches for robot benchmarking typically rely on heavy standardization, either by specifying fixed evaluation tasks and environments, or by hosting centralized ''robot challenges'', and do not readily scale to evaluating generalist policies across a broad range of tasks and environments. In this work, we propose RoboArena, a new approach for scalable evaluation of generalist robot policies in the real world. Instead of standardizing evaluations around fixed tasks, environments, or locations, we propose to crowd-source evaluations across a distributed network of evaluators. Importantly, evaluators can freely choose the tasks and environments they evaluate on, enabling easy scaling of diversity, but they are required to perform double-blind evaluations over pairs of policies. Then, by aggregating preference feedback from pairwise comparisons across diverse tasks and environments, we can derive a ranking of policies. We instantiate our approach across a network of evaluators at seven academic institutions using the DROID robot platform. Through more than 600 pairwise real-robot evaluation episodes across seven generalist policies, we demonstrate that our crowd-sourced approach can more accurately rank the performance of existing generalist policies than conventional, centralized evaluation approaches, while being more scalable, resilient, and trustworthy. We open our evaluation network to the community and hope that it can enable more accessible comparisons of generalist robot policies.

Molecular dynamics (MD) simulations are essential for understanding atomic-scale behaviors in materials science, yet writing LAMMPS scripts remains highly specialized and time-consuming tasks. Although LLMs show promise in code generation and domain-specific question answering, their performance in MD scenarios is limited by scarce domain data, the high deployment cost of state-of-the-art LLMs, and low code executability. Building upon our prior MDAgent, we present MDAgent2, the first end-to-end framework capable of performing both knowledge Q&A and code generation within the MD domain. We construct a domain-specific data-construction pipeline that yields three high-quality datasets spanning MD knowledge, question answering, and code generation. Based on these datasets, we adopt a three stage post-training strategy--continued pre-training (CPT), supervised fine-tuning (SFT), and reinforcement learning (RL)--to train two domain-adapted models, MD-Instruct and MD-Code. Furthermore, we introduce MD-GRPO, a closed-loop RL method that leverages simulation outcomes as reward signals and recycles low-reward trajectories for continual refinement. We further build MDAgent2-RUNTIME, a deployable multi-agent system that integrates code generation, execution, evaluation, and self-correction. Together with MD-EvalBench proposed in this work, the first benchmark for LAMMPS code generation and question answering, our models and system achieve performance surpassing several strong baselines.This work systematically demonstrates the adaptability and generalization capability of large language models in industrial simulation tasks, laying a methodological foundation for automatic code generation in AI for Science and industrial-scale simulations. URL: https://github.com/FredericVAN/PKU_MDAgent2

The dream to create AI assistants as capable and versatile as the fictional J.A.R.V.I.S from Iron Man has long captivated imaginations. With the evolution of (multi-modal) large language models ((M)LLMs), this dream is closer to reality, as (M)LLM-based Agents using computing devices (e.g., computers and mobile phones) by operating within the environments and interfaces (e.g., Graphical User Interface (GUI)) provided by operating systems (OS) to automate tasks have significantly advanced. This paper presents a comprehensive survey of these advanced agents, designated as OS Agents. We begin by elucidating the fundamentals of OS Agents, exploring their key components including the environment, observation space, and action space, and outlining essential capabilities such as understanding, planning, and grounding. We then examine methodologies for constructing OS Agents, focusing on domain-specific foundation models and agent frameworks. A detailed review of evaluation protocols and benchmarks highlights how OS Agents are assessed across diverse tasks. Finally, we discuss current challenges and identify promising directions for future research, including safety and privacy, personalization and self-evolution. This survey aims to consolidate the state of OS Agents research, providing insights to guide both academic inquiry and industrial development. An open-source GitHub repository is maintained as a dynamic resource to foster further innovation in this field. We present a 9-page version of our work, accepted by ACL 2025, to provide a concise overview to the domain.

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.

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

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

Deep Research Agents (DRAs) have demonstrated remarkable capabilities in autonomous information retrieval and report generation, showing great potential to assist humans in complex research tasks. Current evaluation frameworks primarily rely on LLM-generated references or LLM-derived evaluation dimensions. While these approaches offer scalability, they often lack the reliability of expert-verified content and struggle to provide objective, fine-grained assessments of critical dimensions. To bridge this gap, we introduce Wiki Live Challenge (WLC), a live benchmark that leverages the newest Wikipedia Good Articles (GAs) as expert-level references. Wikipedia's strict standards for neutrality, comprehensiveness, and verifiability serve as a great challenge for DRAs, with GAs representing the pinnacle of which. We curate a dataset of 100 recent Good Articles and propose Wiki Eval, a comprehensive evaluation framework comprising a fine-grained evaluation method with 39 criteria for writing quality and rigorous metrics for factual verifiability. Extensive experiments on various DRA systems demonstrate a significant gap between current DRAs and human expert-level Wikipedia articles, validating the effectiveness of WLC in advancing agent research. We release our benchmark at https://github.com/WangShao2000/Wiki_Live_Challenge

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

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

LLM-as-a-Judge has emerged as a promising tool for automatically evaluating generated outputs, but its reliability is often undermined by potential biases in judgment. Existing efforts to mitigate these biases face key limitations: in-context learning-based methods fail to address rooted biases due to the evaluator's limited capacity for self-reflection, whereas fine-tuning is not applicable to all evaluator types, especially closed-source models. To address this challenge, we introduce the Reasoning-based Bias Detector (RBD), which is a plug-in module that identifies biased evaluations and generates structured reasoning to guide evaluator self-correction. Rather than modifying the evaluator itself, RBD operates externally and engages in an iterative process of bias detection and feedback-driven revision. To support its development, we design a complete pipeline consisting of biased dataset construction, supervision collection, distilled reasoning-based fine-tuning of RBD, and integration with LLM evaluators. We fine-tune four sizes of RBD models, ranging from 1.5B to 14B, and observe consistent performance improvements across all scales. Experimental results on 4 bias types--verbosity, position, bandwagon, and sentiment--evaluated using 8 LLM evaluators demonstrate RBD's strong effectiveness. For example, the RBD-8B model improves evaluation accuracy by an average of 18.5% and consistency by 10.9%, and surpasses prompting-based baselines and fine-tuned judges by 12.8% and 17.2%, respectively. These results highlight RBD's effectiveness and scalability. Additional experiments further demonstrate its strong generalization across biases and domains, as well as its efficiency.

In domains such as biomedicine, materials, and finance, high-stakes deployment of large language models (LLMs) requires injecting private, domain-specific knowledge that is proprietary, fast-evolving, and under-represented in public pretraining. However, the two dominant paradigms for private knowledge injection each have pronounced drawbacks: fine-tuning is expensive to iterate, and continual updates risk catastrophic forgetting and general-capability regression; retrieval-augmented generation (RAG) keeps the base model intact but is brittle in specialized private corpora due to chunk-induced evidence fragmentation, retrieval drift, and long-context pressure that yields query-dependent prompt inflation. Inspired by how multimodal LLMs align heterogeneous modalities into a shared semantic space, we propose Generation-Augmented Generation (GAG), which treats private expertise as an additional expert modality and injects it via a compact, representation-level interface aligned to the frozen base model, avoiding prompt-time evidence serialization while enabling plug-and-play specialization and scalable multi-domain composition with reliable selective activation. Across two private scientific QA benchmarks (immunology adjuvant and catalytic materials) and mixed-domain evaluations, GAG improves specialist performance over strong RAG baselines by 15.34% and 14.86% on the two benchmarks, respectively, while maintaining performance on six open general benchmarks and enabling near-oracle selective activation for scalable multi-domain deployment.

Recently, there has been a significant upsurge of interest in leveraging large language models (LLMs) to assist scientific discovery. However, most LLMs only focus on general science, while they lack domain-specific knowledge, such as chemical molecules and amino acid sequences. To bridge these gaps, we introduce SciDFM, a mixture-of-experts LLM, which is trained from scratch and is able to conduct college-level scientific reasoning and understand molecules and amino acid sequences. We collect a large-scale training corpus containing numerous scientific papers and books from different disciplines as well as data from domain-specific databases. We further fine-tune the pre-trained model on lots of instruction data to improve performances on downstream benchmarks. From experiment results, we show that SciDFM achieves strong performance on general scientific benchmarks such as SciEval and SciQ, and it reaches a SOTA performance on domain-specific benchmarks among models of similar size. We further analyze the expert layers and show that the results of expert selection vary with data from different disciplines. To benefit the broader research community, we open-source SciDFM at https://huggingface.co/OpenDFM/SciDFM-MoE-A5.6B-v1.0.

LLM-as-a-Judge and reward models are widely used alternatives of multiple-choice questions or human annotators for large language model (LLM) evaluation. Their efficacy shines in evaluating long-form responses, serving a critical role as evaluators of leaderboards and as proxies to align LLMs via reinforcement learning. However, despite their popularity, their effectiveness outside of English remains largely unexplored. In this paper, we conduct a comprehensive analysis on automated evaluators, reporting key findings on their behavior in a non-English environment. First, we discover that English evaluation capabilities significantly influence language-specific capabilities, often more than the language proficiency itself, enabling evaluators trained in English to easily transfer their skills to other languages. Second, we identify critical shortcomings, where LLMs fail to detect and penalize errors, such as factual inaccuracies, cultural misrepresentations, and the presence of unwanted language. Finally, we release Kudge, the first non-English meta-evaluation dataset containing 5,012 human annotations in Korean.

We introduce Mind2Web, the first dataset for developing and evaluating generalist agents for the web that can follow language instructions to complete complex tasks on any website. Existing datasets for web agents either use simulated websites or only cover a limited set of websites and tasks, thus not suitable for generalist web agents. With over 2,000 open-ended tasks collected from 137 websites spanning 31 domains and crowdsourced action sequences for the tasks, Mind2Web provides three necessary ingredients for building generalist web agents: 1) diverse domains, websites, and tasks, 2) use of real-world websites instead of simulated and simplified ones, and 3) a broad spectrum of user interaction patterns. Based on Mind2Web, we conduct an initial exploration of using large language models (LLMs) for building generalist web agents. While the raw HTML of real-world websites are often too large to be fed to LLMs, we show that first filtering it with a small LM significantly improves the effectiveness and efficiency of LLMs. Our solution demonstrates a decent level of performance, even on websites or entire domains the model has never seen before, but there is still a substantial room to improve towards truly generalizable agents. We open-source our dataset, model implementation, and trained models (https://osu-nlp-group.github.io/Mind2Web) to facilitate further research on building a generalist agent for the web.

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.

Evaluating language models and AI agents remains fundamentally challenging because static benchmarks fail to capture real-world uncertainty, distribution shift, and the gap between isolated task accuracy and human-aligned decision-making under evolving conditions. This paper introduces TruthTensor, a novel, reproducible evaluation paradigm that measures reasoning models not only as prediction engines but as human-imitation systems operating in socially-grounded, high-entropy environments. Building on forward-looking, contamination-free tasks, our framework anchors evaluation to live prediction markets and combines probabilistic scoring to provide a holistic view of model behavior. TruthTensor complements traditional correctness metrics with drift-centric diagnostics and explicit robustness checks for reproducibility. It specify human vs. automated evaluation roles, annotation protocols, and statistical testing procedures to ensure interpretability and replicability of results. In experiments across 500+ real markets (political, economic, cultural, technological), TruthTensor demonstrates that models with similar forecast accuracy can diverge markedly in calibration, drift, and risk-sensitivity, underscoring the need to evaluate models along multiple axes (accuracy, calibration, narrative stability, cost, and resource efficiency). TruthTensor therefore operationalizes modern evaluation best practices, clear hypothesis framing, careful metric selection, transparent compute/cost reporting, human-in-the-loop validation, and open, versioned evaluation contracts, to produce defensible assessments of LLMs in real-world decision contexts. We publicly released TruthTensor at https://truthtensor.com.

Large language models (LLMs) are widely used as reference-free evaluators via prompting, but this "LLM-as-a-Judge" paradigm is costly, opaque, and sensitive to prompt design. In this work, we investigate whether smaller models can serve as efficient evaluators by leveraging internal representations instead of surface generation. We uncover a consistent empirical pattern: small LMs, despite with weak generative ability, encode rich evaluative signals in their hidden states. This motivates us to propose the Semantic Capacity Asymmetry Hypothesis: evaluation requires significantly less semantic capacity than generation and can be grounded in intermediate representations, suggesting that evaluation does not necessarily need to rely on large-scale generative models but can instead leverage latent features from smaller ones. Our findings motivate a paradigm shift from LLM-as-a-Judge to Representation-as-a-Judge, a decoding-free evaluation strategy that probes internal model structure rather than relying on prompted output. We instantiate this paradigm through INSPECTOR, a probing-based framework that predicts aspect-level evaluation scores from small model representations. Experiments on reasoning benchmarks (GSM8K, MATH, GPQA) show that INSPECTOR substantially outperforms prompting-based small LMs and closely approximates full LLM judges, while offering a more efficient, reliable, and interpretable alternative for scalable evaluation.

The emergence of LLM-based agents represents a paradigm shift in AI, enabling autonomous systems to plan, reason, use tools, and maintain memory while interacting with dynamic environments. This paper provides the first comprehensive survey of evaluation methodologies for these increasingly capable agents. We systematically analyze evaluation benchmarks and frameworks across four critical dimensions: (1) fundamental agent capabilities, including planning, tool use, self-reflection, and memory; (2) application-specific benchmarks for web, software engineering, scientific, and conversational agents; (3) benchmarks for generalist agents; and (4) frameworks for evaluating agents. Our analysis reveals emerging trends, including a shift toward more realistic, challenging evaluations with continuously updated benchmarks. We also identify critical gaps that future research must address-particularly in assessing cost-efficiency, safety, and robustness, and in developing fine-grained, and scalable evaluation methods. This survey maps the rapidly evolving landscape of agent evaluation, reveals the emerging trends in the field, identifies current limitations, and proposes directions for future research.

Continual Test-Time Adaptation (CTTA) seeks to adapt source pre-trained models to continually changing, unseen target domains. While existing CTTA methods assume structured domain changes with uniform durations, real-world environments often exhibit dynamic patterns where domains recur with varying frequencies and durations. Current approaches, which adapt the same parameters across different domains, struggle in such dynamic conditions-they face convergence issues with brief domain exposures, risk forgetting previously learned knowledge, or misapplying it to irrelevant domains. To remedy this, we propose DPCore, a method designed for robust performance across diverse domain change patterns while ensuring computational efficiency. DPCore integrates three key components: Visual Prompt Adaptation for efficient domain alignment, a Prompt Coreset for knowledge preservation, and a Dynamic Update mechanism that intelligently adjusts existing prompts for similar domains while creating new ones for substantially different domains. Extensive experiments on four benchmarks demonstrate that DPCore consistently outperforms various CTTA methods, achieving state-of-the-art performance in both structured and dynamic settings while reducing trainable parameters by 99% and computation time by 64% compared to previous approaches.

This position paper emphasizes the critical gap in the evaluation of Explainable AI (XAI) due to the lack of standardized and reliable metrics, which diminishes its practical value, trustworthiness, and ability to meet regulatory requirements. Current evaluation methods are often fragmented, subjective, and biased, making them prone to manipulation and complicating the assessment of complex models. A central issue is the absence of a ground truth for explanations, complicating comparisons across various XAI approaches. To address these challenges, we advocate for widespread research into developing robust, context-sensitive evaluation metrics. These metrics should be resistant to manipulation, relevant to each use case, and based on human judgment and real-world applicability. We also recommend creating domain-specific evaluation benchmarks that align with the user and regulatory needs of sectors such as healthcare and finance. By encouraging collaboration among academia, industry, and regulators, we can create standards that balance flexibility and consistency, ensuring XAI explanations are meaningful, trustworthy, and compliant with evolving regulations.

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

Large Language Models (LLMs) have demonstrated impressive performance across diverse domains, yet they still encounter challenges such as insufficient domain-specific knowledge, biases, and hallucinations. This underscores the need for robust evaluation methodologies to accurately assess LLM-based applications. Traditional evaluation methods, which rely on word overlap or text embeddings, are inadequate for capturing the nuanced semantic information necessary to evaluate dynamic, open-ended text generation. Recent research has explored leveraging LLMs to mimic human reasoning and decision-making processes for evaluation purposes known as LLM-as-a-judge framework. However, these existing frameworks have two significant limitations. First, they lack the flexibility to adapt to different text styles, including various answer and ground truth styles, thereby reducing their generalization performance. Second, the evaluation scores produced by these frameworks are often skewed and hard to interpret, showing a low correlation with human judgment. To address these challenges, we propose a novel dynamic multi-agent system that automatically designs personalized LLM judges for various natural language generation applications. This system iteratively refines evaluation prompts and balances the trade-off between the adaptive requirements of downstream tasks and the alignment with human perception. Our experimental results show that the proposed multi-agent LLM Judge framework not only enhances evaluation accuracy compared to existing methods but also produces evaluation scores that better align with human perception.

The automatic evaluation of instruction following typically involves using large language models (LLMs) to assess response quality. However, there is a lack of comprehensive evaluation of these LLM-based evaluators across two dimensions: the base LLMs and the evaluation protocols. Therefore, we present a thorough meta-evaluation of instruction following, including 25 base LLMs and 15 recently proposed evaluation protocols, on 4 human-annotated datasets, assessing the evaluation accuracy of the LLM-evaluators. Our evaluation allows us to identify the best-performing base LLMs and evaluation protocols with a high degree of robustness. Moreover, our large-scale evaluation reveals: (1) Base LLM performance ranking remains largely consistent across evaluation protocols, with less capable LLMs showing greater improvement from protocol enhancements; (2) Robust evaluation of evaluation protocols requires many base LLMs with varying capability levels, as protocol effectiveness can depend on the base LLM used; (3) Evaluation results on different datasets are not always consistent, so a rigorous evaluation requires multiple datasets with distinctive features. We release our meta-evaluation suite ReIFE, which provides the codebase and evaluation result collection for more than 500 LLM-evaluator configurations, to support future research in instruction-following evaluation.

The evaluation of large language models (LLMs) has traditionally relied on static benchmarks, a paradigm that poses two major limitations: (1) predefined test sets lack adaptability to diverse application domains, and (2) standardized evaluation protocols often fail to capture fine-grained assessments of domain-specific knowledge and contextual reasoning abilities. To overcome these challenges, we propose GuessArena, an adaptive evaluation framework grounded in adversarial game-based interactions. Inspired by the interactive structure of the Guess Who I Am? game, our framework seamlessly integrates dynamic domain knowledge modeling with progressive reasoning assessment to improve evaluation fidelity. Empirical studies across five vertical domains-finance, healthcare, manufacturing, information technology, and education-demonstrate that GuessArena effectively distinguishes LLMs in terms of domain knowledge coverage and reasoning chain completeness. Compared to conventional benchmarks, our method provides substantial advantages in interpretability, scalability, and scenario adaptability.

Large language models (LLMs) are commonly used as evaluators in tasks (e.g., reward modeling, LLM-as-a-judge), where they act as proxies for human preferences or judgments. This leads to the need for meta-evaluation: evaluating the credibility of LLMs as evaluators. However, existing benchmarks primarily focus on English, offering limited insight into LLMs' effectiveness as evaluators in non-English contexts. To address this, we introduce MM-Eval, a multilingual meta-evaluation benchmark that covers 18 languages across six categories. MM-Eval evaluates various dimensions, including language-specific challenges like linguistics and language hallucinations. Evaluation results show that both proprietary and open-source language models have considerable room for improvement. Further analysis reveals a tendency for these models to assign middle-ground scores to low-resource languages. We publicly release our benchmark and code.

LLM-as-a-Judge has revolutionized AI evaluation by leveraging large language models for scalable assessments. However, as evaluands become increasingly complex, specialized, and multi-step, the reliability of LLM-as-a-Judge has become constrained by inherent biases, shallow single-pass reasoning, and the inability to verify assessments against real-world observations. This has catalyzed the transition to Agent-as-a-Judge, where agentic judges employ planning, tool-augmented verification, multi-agent collaboration, and persistent memory to enable more robust, verifiable, and nuanced evaluations. Despite the rapid proliferation of agentic evaluation systems, the field lacks a unified framework to navigate this shifting landscape. To bridge this gap, we present the first comprehensive survey tracing this evolution. Specifically, we identify key dimensions that characterize this paradigm shift and establish a developmental taxonomy. We organize core methodologies and survey applications across general and professional domains. Furthermore, we analyze frontier challenges and identify promising research directions, ultimately providing a clear roadmap for the next generation of agentic evaluation.

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.

Recent advancements in large language models (LLMs) have sparked optimism about their potential to accelerate scientific discovery, with a growing number of works proposing research agents that autonomously generate and validate new ideas. Despite this, no evaluations have shown that LLM systems can take the very first step of producing novel, expert-level ideas, let alone perform the entire research process. We address this by establishing an experimental design that evaluates research idea generation while controlling for confounders and performs the first head-to-head comparison between expert NLP researchers and an LLM ideation agent. By recruiting over 100 NLP researchers to write novel ideas and blind reviews of both LLM and human ideas, we obtain the first statistically significant conclusion on current LLM capabilities for research ideation: we find LLM-generated ideas are judged as more novel (p < 0.05) than human expert ideas while being judged slightly weaker on feasibility. Studying our agent baselines closely, we identify open problems in building and evaluating research agents, including failures of LLM self-evaluation and their lack of diversity in generation. Finally, we acknowledge that human judgements of novelty can be difficult, even by experts, and propose an end-to-end study design which recruits researchers to execute these ideas into full projects, enabling us to study whether these novelty and feasibility judgements result in meaningful differences in research outcome.

This paper presents synthetic Preference Optimization (PO) datasets generated using multi-agent workflows and evaluates the effectiveness and potential of these workflows in the dataset generation process. PO dataset generation requires two modules: (1) response evaluation, and (2) response generation. In the response evaluation module, the responses from Large Language Models (LLMs) are evaluated and ranked - a task typically carried out by human annotators that we automate using LLMs. We assess the response evaluation module in a 2 step process. In step 1, we assess LLMs as evaluators using three distinct prompting strategies. In step 2, we apply the winning prompting strategy to compare the performance of LLM-as-a-Judge, LLMs-as-a-Jury, and LLM Debate. In each step, we use inter-rater agreement using Cohen's Kappa between human annotators and LLMs. For the response generation module, we compare different configurations for the LLM Feedback Loop using the identified LLM evaluator configuration. We use the win rate (the fraction of times a generation framework is selected as the best by an LLM evaluator) to determine the best multi-agent configuration for generation. After identifying the best configurations for both modules, we use models from the GPT, Gemma, and Llama families to generate our PO datasets using the above pipeline. We generate two types of PO datasets, one to improve the generation capabilities of individual LLM and the other to improve the multi-agent workflow. Our evaluation shows that GPT-4o-as-a-Judge is more consistent across datasets when the candidate responses do not include responses from the GPT family. Additionally, we find that the LLM Feedback Loop, with Llama as the generator and Gemma as the reviewer, achieves a notable 71.8% and 73.8% win rate over single-agent Llama and Gemma, respectively.

The recent development on large multimodal models (LMMs), especially GPT-4V(ision) and Gemini, has been quickly expanding the capability boundaries of multimodal models beyond traditional tasks like image captioning and visual question answering. In this work, we explore the potential of LMMs like GPT-4V as a generalist web agent that can follow natural language instructions to complete tasks on any given website. We propose SEEACT, a generalist web agent that harnesses the power of LMMs for integrated visual understanding and acting on the web. We evaluate on the recent MIND2WEB benchmark. In addition to standard offline evaluation on cached websites, we enable a new online evaluation setting by developing a tool that allows running web agents on live websites. We show that GPT-4V presents a great potential for web agents - it can successfully complete 50% of the tasks on live websites if we manually ground its textual plans into actions on the websites. This substantially outperforms text-only LLMs like GPT-4 or smaller models (FLAN-T5 and BLIP-2) specifically fine-tuned for web agents. However, grounding still remains a major challenge. Existing LMM grounding strategies like set-of-mark prompting turns out not effective for web agents, and the best grounding strategy we develop in this paper leverages both the HTML text and visuals. Yet, there is still a substantial gap with oracle grounding, leaving ample room for further improvement.

Pre-trained language models (PLMs) demonstrate excellent abilities to understand texts in the generic domain while struggling in a specific domain. Although continued pre-training on a large domain-specific corpus is effective, it is costly to tune all the parameters on the domain. In this paper, we investigate whether we can adapt PLMs both effectively and efficiently by only tuning a few parameters. Specifically, we decouple the feed-forward networks (FFNs) of the Transformer architecture into two parts: the original pre-trained FFNs to maintain the old-domain knowledge and our novel domain-specific adapters to inject domain-specific knowledge in parallel. Then we adopt a mixture-of-adapters gate to fuse the knowledge from different domain adapters dynamically. Our proposed Mixture-of-Domain-Adapters (MixDA) employs a two-stage adapter-tuning strategy that leverages both unlabeled data and labeled data to help the domain adaptation: i) domain-specific adapter on unlabeled data; followed by ii) the task-specific adapter on labeled data. MixDA can be seamlessly plugged into the pretraining-finetuning paradigm and our experiments demonstrate that MixDA achieves superior performance on in-domain tasks (GLUE), out-of-domain tasks (ChemProt, RCT, IMDB, Amazon), and knowledge-intensive tasks (KILT). Further analyses demonstrate the reliability, scalability, and efficiency of our method. The code is available at https://github.com/Amano-Aki/Mixture-of-Domain-Adapters.

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific discovery progress across multiple aspects and domains. Among these, computer-using agents, capable of interacting with operating systems as humans do, are paving the way to automated scientific problem-solving and addressing routines in researchers' workflows. Recognizing the transformative potential of these agents, we introduce ScienceBoard, which encompasses two complementary contributions: (i) a realistic, multi-domain environment featuring dynamic and visually rich scientific workflows with integrated professional software, where agents can autonomously interact via different interfaces to accelerate complex research tasks and experiments; and (ii) a challenging benchmark of 169 high-quality, rigorously validated real-world tasks curated by humans, spanning scientific-discovery workflows in domains such as biochemistry, astronomy, and geoinformatics. Extensive evaluations of agents with state-of-the-art backbones (e.g., GPT-4o, Claude 3.7, UI-TARS) show that, despite some promising results, they still fall short of reliably assisting scientists in complex workflows, achieving only a 15% overall success rate. In-depth analysis further provides valuable insights for addressing current agent limitations and more effective design principles, paving the way to build more capable agents for scientific discovery. Our code, environment, and benchmark are at https://qiushisun.github.io/ScienceBoard-Home/.

The LLM-as-judge paradigm is increasingly being adopted for automated evaluation of model outputs. While LLM judges have shown promise on constrained evaluation tasks, closed source LLMs display critical shortcomings when deployed in real world applications due to challenges of fine grained metrics and explainability, while task specific evaluation models lack cross-domain generalization. We introduce GLIDER, a powerful 3B evaluator LLM that can score any text input and associated context on arbitrary user defined criteria. GLIDER shows higher Pearson's correlation than GPT-4o on FLASK and greatly outperforms prior evaluation models, achieving comparable performance to LLMs 17x its size. GLIDER supports fine-grained scoring, multilingual reasoning, span highlighting and was trained on 685 domains and 183 criteria. Extensive qualitative analysis shows that GLIDER scores are highly correlated with human judgments, with 91.3% human agreement. We have open-sourced GLIDER to facilitate future research.

Large Language Models (LLMs) as automatic evaluators, commonly referred to as LLM-as-a-Judge, have also attracted growing attention. This approach plays a vital role in aligning LLMs with human judgments, providing accurate and reliable assessments. However, LLM-based judgment models often exhibit judgment preference bias during the evaluation phase, tending to favor responses generated by themselves, undermining the reliability of their judgments. This paper introduces the Group-Based Polling Optimization (Genii), an unsupervised multi-agent collaborative optimization framework that mitigates the inherent judgment preference bias of judgment models. Specifically, Genii integrates various LLM-based judgment models into a multi-agent system and simulates the interactive client-server polling mechanism to optimize each client agent unsupervisedly. Our experiments demonstrate that Genii outperforms supervised models trained on annotated judgment data, while requiring no human-labeled annotations. Genii consistently improves performance across different client agents during the polling, even when weaker models act as server agents. Further analysis reveals that Genii effectively mitigates judgment preference bias of LLM-based judgment models, demonstrating its effectiveness. All codes are available at https://github.com/NEUIR/Genii.

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.

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

Large Language Models (LLMs) assist in specialized tasks but struggle to align with evolving domain knowledge without costly fine-tuning. Domain knowledge consists of: Knowledge: Immutable facts (e.g., 'A stone is solid') and generally accepted principles (e.g., ethical standards); Refined Memory: Evolving insights shaped by business needs and real-world changes. However, a significant gap often exists between a domain expert's deep, nuanced understanding and the system's domain knowledge, which can hinder accurate information retrieval and application. Our Memory-Augmented Refinement of Knowledge (MARK) framework enables LLMs to continuously learn without retraining by leveraging structured refined memory, inspired by the Society of Mind. MARK operates through specialized agents, each serving a distinct role: Residual Refined Memory Agent: Stores and retrieves domain-specific insights to maintain context over time; User Question Refined Memory Agent: Captures user-provided facts, abbreviations, and terminology for better comprehension; LLM Response Refined Memory Agent: Extracts key elements from responses for refinement and personalization. These agents analyse stored refined memory, detect patterns, resolve contradictions, and improve response accuracy. Temporal factors like recency and frequency prioritize relevant information while discarding outdated insights. MARK enhances LLMs in multiple ways: Ground Truth Strategy: Reduces hallucinations by establishing a structured reference; Domain-Specific Adaptation: Essential for fields like healthcare, law, and manufacturing, where proprietary insights are absent from public datasets; Personalized AI Assistants: Improves virtual assistants by remembering user preferences, ensuring coherent responses over time.

Large Language Models (LLMs) are being used more and more extensively for automated evaluation in various scenarios. Previous studies have attempted to fine-tune open-source LLMs to replicate the evaluation explanations and judgments of powerful proprietary models, such as GPT-4. However, these methods are largely limited to text-based analyses under predefined general criteria, resulting in reduced adaptability for unseen instructions and demonstrating instability in evaluating adherence to quantitative and structural constraints. To address these limitations, we propose a novel evaluation framework, ARJudge, that adaptively formulates evaluation criteria and synthesizes both text-based and code-driven analyses to evaluate LLM responses. ARJudge consists of two components: a fine-tuned Analyzer that generates multi-faceted evaluation analyses and a tuning-free Refiner that combines and refines all analyses to make the final judgment. We construct a Composite Analysis Corpus that integrates tasks for evaluation criteria generation alongside text-based and code-driven analysis generation to train the Analyzer. Our results demonstrate that ARJudge outperforms existing fine-tuned evaluators in effectiveness and robustness. Furthermore, it demonstrates the importance of multi-faceted evaluation and code-driven analyses in enhancing evaluation capabilities.

Precision therapeutics require multimodal adaptive models that generate personalized treatment recommendations. We introduce TxAgent, an AI agent that leverages multi-step reasoning and real-time biomedical knowledge retrieval across a toolbox of 211 tools to analyze drug interactions, contraindications, and patient-specific treatment strategies. TxAgent evaluates how drugs interact at molecular, pharmacokinetic, and clinical levels, identifies contraindications based on patient comorbidities and concurrent medications, and tailors treatment strategies to individual patient characteristics. It retrieves and synthesizes evidence from multiple biomedical sources, assesses interactions between drugs and patient conditions, and refines treatment recommendations through iterative reasoning. It selects tools based on task objectives and executes structured function calls to solve therapeutic tasks that require clinical reasoning and cross-source validation. The ToolUniverse consolidates 211 tools from trusted sources, including all US FDA-approved drugs since 1939 and validated clinical insights from Open Targets. TxAgent outperforms leading LLMs, tool-use models, and reasoning agents across five new benchmarks: DrugPC, BrandPC, GenericPC, TreatmentPC, and DescriptionPC, covering 3,168 drug reasoning tasks and 456 personalized treatment scenarios. It achieves 92.1% accuracy in open-ended drug reasoning tasks, surpassing GPT-4o and outperforming DeepSeek-R1 (671B) in structured multi-step reasoning. TxAgent generalizes across drug name variants and descriptions. By integrating multi-step inference, real-time knowledge grounding, and tool-assisted decision-making, TxAgent ensures that treatment recommendations align with established clinical guidelines and real-world evidence, reducing the risk of adverse events and improving therapeutic decision-making.

Agents based on Large Language Models (LLMs) have shown promise for performing sophisticated software engineering tasks autonomously. In addition, there has been progress towards developing agents that can perform parts of the research pipeline in machine learning and the natural sciences. We argue that research extension and its implementation is a critical capability for such systems, and introduce RExBench to support the evaluation of this capability. RExBench is a benchmark consisting of 12 realistic research experiment implementation tasks that aim to investigate research hypotheses that have not previously been implemented. Each task is set up as an extension to an existing research paper and codebase, accompanied by domain expert-written instructions. RExBench is robust to data contamination, and supports an automatic evaluation infrastructure that executes agent outputs to determine whether the success criteria are met. We use this benchmark to evaluate nine LLM agents implemented using three different frameworks: aider, Claude Code, and OpenHands. We find that all agents evaluated fail to autonomously implement the majority of the extensions. Although the success rate improves with additional human-written hints, the best performance under this setting remains below 40%. This indicates that current agents are still short of being able to handle realistic research extension tasks without substantial human guidance.

Human-generated reward signals are critical for aligning generative models with human preferences, guiding both training and inference-time evaluations. While large language models (LLMs) employed as proxy evaluators, i.e., LLM-as-a-Judge, significantly reduce the costs associated with manual annotations, they typically require extensive modality-specific training data and fail to generalize well across diverse multimodal tasks. In this paper, we propose Flex-Judge, a reasoning-guided multimodal judge model that leverages minimal textual reasoning data to robustly generalize across multiple modalities and evaluation formats. Our core intuition is that structured textual reasoning explanations inherently encode generalizable decision-making patterns, enabling an effective transfer to multimodal judgments, e.g., with images or videos. Empirical results demonstrate that Flex-Judge, despite being trained on significantly fewer text data, achieves competitive or superior performance compared to state-of-the-art commercial APIs and extensively trained multimodal evaluators. Notably, Flex-Judge presents broad impact in modalities like molecule, where comprehensive evaluation benchmarks are scarce, underscoring its practical value in resource-constrained domains. Our framework highlights reasoning-based text supervision as a powerful, cost-effective alternative to traditional annotation-intensive approaches, substantially advancing scalable multimodal model-as-a-judge.

Evaluating the open-ended outputs of large language models (LLMs) has become a bottleneck as model capabilities, task diversity, and modality coverage rapidly expand. Existing "LLM-as-a-Judge" evaluators are typically narrow in a few tasks, aspects, or modalities, and easily suffer from low consistency. In this paper, we argue that explicit, fine-grained aspect specification is the key to both generalizability and objectivity in automated evaluation. To this end, we propose a hierarchical aspect taxonomy encompassing 112 distinct aspects that unifies evaluation across four representative settings -- Natural Language Generation, Image Understanding, Image Generation, and Interleaved Text-and-Image Generation. Building upon this taxonomy, we create FRABench, a benchmark comprising 60.4k pairwise samples with 325k evaluation labels obtained from a combination of human and LLM annotations. FRABench provides the first large-scale, multi-modal resource for training and meta-evaluating fine-grained LMM judges. Leveraging FRABench, we develop GenEval, a fine-grained evaluator generalizable across tasks and modalities. Experiments show that GenEval (i) attains high agreement with GPT-4o and expert annotators, (ii) transfers robustly to unseen tasks and modalities, and (iii) reveals systematic weaknesses of current LMMs on evaluation.

Recent progress in large language model (LLM) agents has largely focused on embedding self-improvement mechanisms inside the agent or searching over many concurrent variants. While these approaches can raise aggregate scores, they often yield unstable and hard-to-audit improvement trajectories, making it difficult to guarantee non-regression or to reason about failures across versions. We reframe agent improvement as release engineering: agents are treated as shippable artifacts, and improvement is externalized into a regression-aware release pipeline. We introduce AgentDevel, a release engineering pipeline that iteratively runs the current agent, produces implementation-blind, symptom-level quality signals from execution traces, synthesizes a single release candidate (RC) via executable diagnosis, and promotes it under flip-centered gating. AgentDevel features three core designs: (i) an implementation-blind LLM critic that characterizes failure appearances without accessing agent internals, (ii) script-based executable diagnosis that aggregates dominant symptom patterns and produces auditable engineering specifications, and (iii) flip-centered gating that prioritizes pass to fail regressions and fail to pass fixes as first-class evidence. Unlike population-based search or in-agent self-refinement, AgentDevel maintains a single canonical version line and emphasizes non-regression as a primary objective. Experiments on execution-heavy benchmarks demonstrate that AgentDevel yields stable improvements with significantly fewer regressions while producing reproducible, auditable artifacts. Overall, AgentDevel provides a practical development discipline for building, debugging, and releasing LLM agents as software development.

Text evaluation has historically posed significant challenges, often demanding substantial labor and time cost. With the emergence of large language models (LLMs), researchers have explored LLMs' potential as alternatives for human evaluation. While these single-agent-based approaches show promise, experimental results suggest that further advancements are needed to bridge the gap between their current effectiveness and human-level evaluation quality. Recognizing that best practices of human evaluation processes often involve multiple human annotators collaborating in the evaluation, we resort to a multi-agent debate framework, moving beyond single-agent prompting strategies. The multi-agent-based approach enables a group of LLMs to synergize with an array of intelligent counterparts, harnessing their distinct capabilities and expertise to enhance efficiency and effectiveness in handling intricate tasks. In this paper, we construct a multi-agent referee team called ChatEval to autonomously discuss and evaluate the quality of generated responses from different models on open-ended questions and traditional natural language generation (NLG) tasks. Our analysis shows that ChatEval transcends mere textual scoring, offering a human-mimicking evaluation process for reliable assessments. Our code is available at https://github.com/chanchimin/ChatEval.

With ChatGPT-like large language models (LLM) prevailing in the community, how to evaluate the ability of LLMs is an open question. Existing evaluation methods suffer from following shortcomings: (1) constrained evaluation abilities, (2) vulnerable benchmarks, (3) unobjective metrics. We suggest that task-based evaluation, where LLM agents complete tasks in a simulated environment, is a one-for-all solution to solve above problems. We present AgentSims, an easy-to-use infrastructure for researchers from all disciplines to test the specific capacities they are interested in. Researchers can build their evaluation tasks by adding agents and buildings on an interactive GUI or deploy and test new support mechanisms, i.e. memory, planning and tool-use systems, by a few lines of codes. Our demo is available at https://agentsims.com .

The advancements of language language models (LLMs) have piqued growing interest in developing LLM-based language agents to automate scientific discovery end-to-end, which has sparked both excitement and skepticism about the true capabilities of such agents. In this work, we argue that for an agent to fully automate scientific discovery, it must be able to complete all essential tasks in the workflow. Thus, we call for rigorous assessment of agents on individual tasks in a scientific workflow before making bold claims on end-to-end automation. To this end, we present ScienceAgentBench, a new benchmark for evaluating language agents for data-driven scientific discovery. To ensure the scientific authenticity and real-world relevance of our benchmark, we extract 102 tasks from 44 peer-reviewed publications in four disciplines and engage nine subject matter experts to validate them. We unify the target output for every task to a self-contained Python program file and employ an array of evaluation metrics to examine the generated programs, execution results, and costs. Each task goes through multiple rounds of manual validation by annotators and subject matter experts to ensure its annotation quality and scientific plausibility. We also propose two effective strategies to mitigate data contamination concerns. Using our benchmark, we evaluate five open-weight and proprietary LLMs, each with three frameworks: direct prompting, OpenHands, and self-debug. Given three attempts for each task, the best-performing agent can only solve 32.4% of the tasks independently and 34.3% with expert-provided knowledge. These results underscore the limited capacities of current language agents in generating code for data-driven discovery, let alone end-to-end automation for scientific research.

Clinical calculators play a vital role in healthcare by offering accurate evidence-based predictions for various purposes such as prognosis. Nevertheless, their widespread utilization is frequently hindered by usability challenges, poor dissemination, and restricted functionality. Augmenting large language models with extensive collections of clinical calculators presents an opportunity to overcome these obstacles and improve workflow efficiency, but the scalability of the manual curation process poses a significant challenge. In response, we introduce AgentMD, a novel language agent capable of curating and applying clinical calculators across various clinical contexts. Using the published literature, AgentMD has automatically curated a collection of 2,164 diverse clinical calculators with executable functions and structured documentation, collectively named RiskCalcs. Manual evaluations show that RiskCalcs tools achieve an accuracy of over 80% on three quality metrics. At inference time, AgentMD can automatically select and apply the relevant RiskCalcs tools given any patient description. On the newly established RiskQA benchmark, AgentMD significantly outperforms chain-of-thought prompting with GPT-4 (87.7% vs. 40.9% in accuracy). Additionally, we also applied AgentMD to real-world clinical notes for analyzing both population-level and risk-level patient characteristics. In summary, our study illustrates the utility of language agents augmented with clinical calculators for healthcare analytics and patient care.

We introduce xbench, a dynamic, profession-aligned evaluation suite designed to bridge the gap between AI agent capabilities and real-world productivity. While existing benchmarks often focus on isolated technical skills, they may not accurately reflect the economic value agents deliver in professional settings. To address this, xbench targets commercially significant domains with evaluation tasks defined by industry professionals. Our framework creates metrics that strongly correlate with productivity value, enables prediction of Technology-Market Fit (TMF), and facilitates tracking of product capabilities over time. As our initial implementations, we present two benchmarks: Recruitment and Marketing. For Recruitment, we collect 50 tasks from real-world headhunting business scenarios to evaluate agents' abilities in company mapping, information retrieval, and talent sourcing. For Marketing, we assess agents' ability to match influencers with advertiser needs, evaluating their performance across 50 advertiser requirements using a curated pool of 836 candidate influencers. We present initial evaluation results for leading contemporary agents, establishing a baseline for these professional domains. Our continuously updated evalsets and evaluations are available at https://xbench.org.

Large language models (LLMs) have sparked growing interest in automatic machine learning research agents. Among them, agents capable of autonomously proposing ideas and conducting machine learning experiments are particularly promising, as they maximize research automation and accelerate scientific progress by iteratively refining ideas based on experimental results. However, comprehensively evaluating such agents remains challenging. Existing benchmarks tend to overemphasize engineering aspects while neglecting academic rigor, creating barriers that obscure a clear assessment of an agent's scientific capabilities in machine learning research. They also suffer from limited task diversity, an overemphasis on application-oriented tasks over fundamental research problems, and limited scalability to realistic research settings. To address these limitations, we introduce FML-bench, a benchmark designed to evaluate automatic machine learning research agents on 8 diverse and fundamental machine learning research problems. It reduces coding burden, emphasizes fundamental problems rather than specific use cases, offers high task diversity, and is extensible to real-world machine learning GitHub repositories. Furthermore, we present a unified evaluation framework with five complementary metrics, designed to comprehensively assess agent performance on our benchmark. We evaluate state-of-the-art automatic research agents on FML-bench, and find that agents employing broad research exploration strategies outperform those focusing on narrow but deep exploration. These findings suggest that emphasizing the breadth of exploration may lead to more effective research outcomes than focusing solely on incremental refinement. Our benchmark is available at https://github.com/qrzou/FML-bench.

The growing demand for data-driven decision-making has created an urgent need for data agents that can integrate structured and unstructured data for analysis. While data agents show promise for enabling users to perform complex analytics tasks, this field still suffers from three critical limitations: first, comprehensive data agent benchmarks remain absent due to the difficulty of designing test cases that evaluate agents' abilities across multi-source analytical tasks; second, constructing reliable test cases that combine structured and unstructured data remains costly and prohibitively complex; third, existing benchmarks exhibit limited adaptability and generalizability, resulting in narrow evaluation scope. To address these challenges, we present FDABench, the first data agent benchmark specifically designed for evaluating agents in multi-source data analytical scenarios. Our contributions include: (i) we construct a standardized benchmark with 2,007 diverse tasks across different data sources, domains, difficulty levels, and task types to comprehensively evaluate data agent performance; (ii) we design an agent-expert collaboration framework ensuring reliable and efficient benchmark construction over heterogeneous data; (iii) we equip FDABench with robust generalization capabilities across diverse target systems and frameworks. We use FDABench to evaluate various data agent systems, revealing that each system exhibits distinct advantages and limitations regarding response quality, accuracy, latency, and token cost.

Large Language Models (LLMs) and multi-agent systems have shown impressive capabilities in natural language tasks but face challenges in clinical trial applications, primarily due to limited access to external knowledge. Recognizing the potential of advanced clinical trial tools that aggregate and predict based on the latest medical data, we propose an integrated solution to enhance their accessibility and utility. We introduce Clinical Agent System (ClinicalAgent), a clinical multi-agent system designed for clinical trial tasks, leveraging GPT-4, multi-agent architectures, LEAST-TO-MOST, and ReAct reasoning technology. This integration not only boosts LLM performance in clinical contexts but also introduces novel functionalities. The proposed method achieves competitive predictive performance in clinical trial outcome prediction (0.7908 PR-AUC), obtaining a 0.3326 improvement over the standard prompt Method. Publicly available code can be found at https://anonymous.4open.science/r/ClinicalAgent-6671.

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