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Large language models are now integrated into many scientific workflows, accelerating data analysis, hypothesis generation, and design space exploration. In parallel with this growth, there is a growing need to carefully evaluate whether…

The advancements of large 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 their true…

Building precise simulations of the real world and invoking numerical solvers to answer quantitative problems is an essential requirement in engineering and science. We present FEABench, a benchmark to evaluate the ability of large language…

Artificial Intelligence · Computer Science 2025-04-09 Nayantara Mudur , Hao Cui , Subhashini Venugopalan , Paul Raccuglia , Michael P. Brenner , Peter Norgaard

Large Language Models (LLMs) are being explored for applications in scientific research, including their capabilities to synthesize literature, answer research questions, generate research ideas, and even conduct computational experiments.…

With the rapid development and widespread application of Large Language Models (LLMs), multidimensional evaluation has become increasingly critical. However, current evaluations are often domain-specific and overly complex, limiting their…

Computation and Language · Computer Science 2025-05-20 Haitao Wu , Zongbo Han , Joey Tianyi Zhou , Huaxi Huang , Changqing Zhang

Scientific equation discovery is a fundamental task in the history of scientific progress, enabling the derivation of laws governing natural phenomena. Recently, Large Language Models (LLMs) have gained interest for this task due to their…

Computation and Language · Computer Science 2025-06-10 Parshin Shojaee , Ngoc-Hieu Nguyen , Kazem Meidani , Amir Barati Farimani , Khoa D Doan , Chandan K Reddy

Frontier model progress is often measured by academic benchmarks, which offer a limited view of performance in real-world professional contexts. Existing evaluations often fail to assess open-ended, economically consequential tasks in…

Deep Research Agents are a prominent category of LLM-based agents. By autonomously orchestrating multistep web exploration, targeted retrieval, and higher-order synthesis, they transform vast amounts of online information into…

Computation and Language · Computer Science 2025-06-16 Mingxuan Du , Benfeng Xu , Chiwei Zhu , Xiaorui Wang , Zhendong Mao

Autonomous AI research agents aim to accelerate scientific discovery by automating the research pipeline, from hypothesis generation to peer review. However, existing benchmarks rarely test a fundamental bottleneck: whether Large Language…

Machine Learning · Computer Science 2026-05-29 Sy-Tuyen Ho , Minghui Liu , Huy Nghiem , Furong Huang

Large Language Models (LLMs) have transformed how people interact with artificial intelligence (AI) systems, achieving state-of-the-art results in various tasks, including scientific discovery and hypothesis generation. However, the lack of…

Computation and Language · Computer Science 2024-11-06 Sikun Guo , Amir Hassan Shariatmadari , Guangzhi Xiong , Albert Huang , Eric Xie , Stefan Bekiranov , Aidong Zhang

We present a new approach for benchmarking Large Language Model (LLM) capabilities on research-level mathematics. Existing benchmarks largely rely on static, hand-curated sets of contest or textbook-style problems as proxies for…

Artificial Intelligence · Computer Science 2026-03-02 Antoine Peyronnet , Fabian Gloeckle , Amaury Hayat

Large Language Models (LLMs) are increasingly excelling and outpacing human performance on many tasks. However, to improve LLM reasoning, researchers either rely on ad-hoc generated datasets or formal mathematical proof systems such as the…

Artificial Intelligence · Computer Science 2025-11-03 Nikolaus Holzer , William Fishell , Baishakhi Ray , Mark Santolucito

Large language models (LLMs) have demonstrated significant potential in advancing various fields of research and society. However, the current community of LLMs overly focuses on benchmarks for analyzing specific foundational skills (e.g.…

Modern AI progress has been driven by ML methods that are generalizable across settings and scalable to larger regimes. As large language models demonstrate advanced capabilities in reasoning, coding, and engineering tasks, it is…

Understanding and reasoning on the large-scale scientific literature is a crucial touchstone for large language model (LLM) based agents. However, existing works are mainly restricted to tool-free tasks within single papers, largely due to…

Artificial Intelligence · Computer Science 2026-02-02 Daoyu Wang , Mingyue Cheng , Shuo Yu , Zirui Liu , Ze Guo , Xin Li , Qi Liu

Frontier AI agents show increasing promise as scientific research assistants, and may eventually be useful for extended, open-ended research workflows. However, in order to use agents for novel research, we must first assess the underlying…

AI research agents accelerate ML research by automating hypothesis generation, experimentation, and empirical refinement. Existing agent strategies range from greedy hill-climbing to tree search and evolutionary optimization, yet which…

Large language models (LLMs) have shown potential in assisting scientific research, yet their ability to discover high-quality research hypotheses remains unexamined due to the lack of a dedicated benchmark. To address this gap, we…

Computation and Language · Computer Science 2026-04-21 Yujie Liu , Zonglin Yang , Tong Xie , Jinjie Ni , Ben Gao , Yuqiang Li , Shixiang Tang , Wanli Ouyang , Erik Cambria , Dongzhan Zhou

Causal inference in social science relies on end-to-end, intervention-centered research-design reasoning grounded in real-world policy interventions, but current benchmarks fail to evaluate this capability of large language models (LLMs).…

As agentic AI systems increasingly operate autonomously, establishing trust through verifiable evaluation becomes critical. Yet existing benchmarks lack the transparency and auditability needed to assess whether agents behave reliably. We…

Computation and Language · Computer Science 2025-12-02 Hyunjun Kim , Sooyoung Ryu