Survey on Evaluation of LLM-based Agents

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.

MedAgentsBench: Benchmarking Thinking Models and Agent Frameworks for Complex Medical Reasoning

Large Language Models (LLMs) have shown impressive performance on existing medical question-answering benchmarks. This high performance makes it increasingly difficult to meaningfully evaluate and differentiate advanced methods. We present MedAgentsBench, a benchmark that focuses on challenging medical questions requiring multi-step clinical reasoning, diagnosis formulation, and treatment planning-scenarios where current models still struggle despite their strong performance on standard tests. Drawing from seven established medical datasets, our benchmark addresses three key limitations in existing evaluations: (1) the prevalence of straightforward questions where even base models achieve high performance, (2) inconsistent sampling and evaluation protocols across studies, and (3) lack of systematic analysis of the interplay between performance, cost, and inference time. Through experiments with various base models and reasoning methods, we demonstrate that the latest thinking models, DeepSeek R1 and OpenAI o3, exhibit exceptional performance in complex medical reasoning tasks. Additionally, advanced search-based agent methods offer promising performance-to-cost ratios compared to traditional approaches. Our analysis reveals substantial performance gaps between model families on complex questions and identifies optimal model selections for different computational constraints. Our benchmark and evaluation framework are publicly available at https://github.com/gersteinlab/medagents-benchmark.

IFIR: A Comprehensive Benchmark for Evaluating Instruction-Following in Expert-Domain Information Retrieval

We introduce IFIR, the first comprehensive benchmark designed to evaluate instruction-following information retrieval (IR) in expert domains. IFIR includes 2,426 high-quality examples and covers eight subsets across four specialized domains: finance, law, healthcare, and science literature. Each subset addresses one or more domain-specific retrieval tasks, replicating real-world scenarios where customized instructions are critical. IFIR enables a detailed analysis of instruction-following retrieval capabilities by incorporating instructions at different levels of complexity. We also propose a novel LLM-based evaluation method to provide a more precise and reliable assessment of model performance in following instructions. Through extensive experiments on 15 frontier retrieval models, including those based on LLMs, our results reveal that current models face significant challenges in effectively following complex, domain-specific instructions. We further provide in-depth analyses to highlight these limitations, offering valuable insights to guide future advancements in retriever development.

MMVU: Measuring Expert-Level Multi-Discipline Video Understanding

We introduce MMVU, a comprehensive expert-level, multi-discipline benchmark for evaluating foundation models in video understanding. MMVU includes 3,000 expert-annotated questions spanning 27 subjects across four core disciplines: Science, Healthcare, Humanities & Social Sciences, and Engineering. Compared to prior benchmarks, MMVU features three key advancements. First, it challenges models to apply domain-specific knowledge and perform expert-level reasoning to analyze specialized-domain videos, moving beyond the basic visual perception typically assessed in current video benchmarks. Second, each example is annotated by human experts from scratch. We implement strict data quality controls to ensure the high quality of the dataset. Finally, each example is enriched with expert-annotated reasoning rationals and relevant domain knowledge, facilitating in-depth analysis. We conduct an extensive evaluation of 32 frontier multimodal foundation models on MMVU. The latest System-2-capable models, o1 and Gemini 2.0 Flash Thinking, achieve the highest performance among the tested models. However, they still fall short of matching human expertise. Through in-depth error analyses and case studies, we offer actionable insights for future advancements in expert-level, knowledge-intensive video understanding for specialized domains.

ChemAgent: Self-updating Library in Large Language Models Improves Chemical Reasoning

Chemical reasoning usually involves complex, multi-step processes that demand precise calculations, where even minor errors can lead to cascading failures. Furthermore, large language models (LLMs) encounter difficulties handling domain-specific formulas, executing reasoning steps accurately, and integrating code effectively when tackling chemical reasoning tasks. To address these challenges, we present ChemAgent, a novel framework designed to improve the performance of LLMs through a dynamic, self-updating library. This library is developed by decomposing chemical tasks into sub-tasks and compiling these sub-tasks into a structured collection that can be referenced for future queries. Then, when presented with a new problem, ChemAgent retrieves and refines pertinent information from the library, which we call memory, facilitating effective task decomposition and the generation of solutions. Our method designs three types of memory and a library-enhanced reasoning component, enabling LLMs to improve over time through experience. Experimental results on four chemical reasoning datasets from SciBench demonstrate that ChemAgent achieves performance gains of up to 46% (GPT-4), significantly outperforming existing methods. Our findings suggest substantial potential for future applications, including tasks such as drug discovery and materials science. Our code can be found at https://github.com/gersteinlab/chemagent

HumanEval Pro and MBPP Pro: Evaluating Large Language Models on Self-invoking Code Generation

We introduce self-invoking code generation, a new task designed to evaluate the progressive reasoning and problem-solving capabilities of LLMs. In this task, models are presented with a base problem and a related, more complex problem. They must solve the base problem and then utilize its solution to address the more complex one. This work features three key contributions. First, we propose a general recipe for generating more challenging versions of existing benchmarks, resulting in three new benchmarks: HumanEval Pro, MBPP Pro, and BigCodeBench-Lite Pro, specifically designed to assess LLMs on self-invoking code generation. Second, from the analysis of experimental results over twenty LLMs on our benchmarks, we have two important observations: (i) Most LLMs excel in traditional code generation benchmarks like HumanEval and MBPP, but their performance declines on self-invoking tasks. For example, o1-mini achieves 96.2% pass@1 on HumanEval but only 76.2% on HumanEval Pro. (ii) On self-invoking code generation task, the instruction-tuned models demonstrate only marginal improvements compared to the base models. Third, we disclose the types of failure modes that exist in our evaluation results. All these results underscore the need for further advancements in self-invoking code generation tasks and provide a new direction for future research on enhancing LLMs' code reasoning capabilities.

ChemSafetyBench: Benchmarking LLM Safety on Chemistry Domain

The advancement and extensive application of large language models (LLMs) have been remarkable, including their use in scientific research assistance. However, these models often generate scientifically incorrect or unsafe responses, and in some cases, they may encourage users to engage in dangerous behavior. To address this issue in the field of chemistry, we introduce ChemSafetyBench, a benchmark designed to evaluate the accuracy and safety of LLM responses. ChemSafetyBench encompasses three key tasks: querying chemical properties, assessing the legality of chemical uses, and describing synthesis methods, each requiring increasingly deeper chemical knowledge. Our dataset has more than 30K samples across various chemical materials. We incorporate handcrafted templates and advanced jailbreaking scenarios to enhance task diversity. Our automated evaluation framework thoroughly assesses the safety, accuracy, and appropriateness of LLM responses. Extensive experiments with state-of-the-art LLMs reveal notable strengths and critical vulnerabilities, underscoring the need for robust safety measures. ChemSafetyBench aims to be a pivotal tool in developing safer AI technologies in chemistry. Our code and dataset are available at https://github.com/HaochenZhao/SafeAgent4Chem. Warning: this paper contains discussions on the synthesis of controlled chemicals using AI models.

FinDVer: Explainable Claim Verification over Long and Hybrid-Content Financial Documents

We introduce FinDVer, a comprehensive benchmark specifically designed to evaluate the explainable claim verification capabilities of LLMs in the context of understanding and analyzing long, hybrid-content financial documents. FinDVer contains 2,400 expert-annotated examples, divided into three subsets: information extraction, numerical reasoning, and knowledge-intensive reasoning, each addressing common scenarios encountered in real-world financial contexts. We assess a broad spectrum of LLMs under long-context and RAG settings. Our results show that even the current best-performing system, GPT-4o, still lags behind human experts. We further provide in-depth analysis on long-context and RAG setting, Chain-of-Thought reasoning, and model reasoning errors, offering insights to drive future advancements. We believe that FinDVer can serve as a valuable benchmark for evaluating LLMs in claim verification over complex, expert-domain documents.

M3SciQA: A Multi-Modal Multi-Document Scientific QA Benchmark for Evaluating Foundation Models

Existing benchmarks for evaluating foundation models mainly focus on single-document, text-only tasks. However, they often fail to fully capture the complexity of research workflows, which typically involve interpreting non-textual data and gathering information across multiple documents. To address this gap, we introduce M3SciQA, a multi-modal, multi-document scientific question answering benchmark designed for a more comprehensive evaluation of foundation models. M3SciQA consists of 1,452 expert-annotated questions spanning 70 natural language processing paper clusters, where each cluster represents a primary paper along with all its cited documents, mirroring the workflow of comprehending a single paper by requiring multi-modal and multi-document data. With M3SciQA, we conduct a comprehensive evaluation of 18 foundation models. Our results indicate that current foundation models still significantly underperform compared to human experts in multi-modal information retrieval and in reasoning across multiple scientific documents. Additionally, we explore the implications of these findings for the future advancement of applying foundation models in multi-modal scientific literature analysis.

TOMATO: Assessing Visual Temporal Reasoning Capabilities in Multimodal Foundation Models

Existing benchmarks often highlight the remarkable performance achieved by state-of-the-art Multimodal Foundation Models (MFMs) in leveraging temporal context for video understanding. However, how well do the models truly perform visual temporal reasoning? Our study of existing benchmarks shows that this capability of MFMs is likely overestimated as many questions can be solved by using a single, few, or out-of-order frames. To systematically examine current visual temporal reasoning tasks, we propose three principles with corresponding metrics: (1) Multi-Frame Gain, (2) Frame Order Sensitivity, and (3) Frame Information Disparity. Following these principles, we introduce TOMATO, Temporal Reasoning Multimodal Evaluation, a novel benchmark crafted to rigorously assess MFMs' temporal reasoning capabilities in video understanding. TOMATO comprises 1,484 carefully curated, human-annotated questions spanning six tasks (i.e., action count, direction, rotation, shape & trend, velocity & frequency, and visual cues), applied to 1,417 videos, including 805 self-recorded and -generated videos, that encompass human-centric, real-world, and simulated scenarios. Our comprehensive evaluation reveals a human-model performance gap of 57.3% with the best-performing model. Moreover, our in-depth analysis uncovers more fundamental limitations beyond this gap in current MFMs. While they can accurately recognize events in isolated frames, they fail to interpret these frames as a continuous sequence. We believe TOMATO will serve as a crucial testbed for evaluating the next-generation MFMs and as a call to the community to develop AI systems capable of comprehending human world dynamics through the video modality.