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Scientific machine learning (SciML) models are transforming many scientific disciplines. However, the development of good modeling practices to increase the trustworthiness of SciML has lagged behind its application, limiting its potential…

Machine Learning · Computer Science 2025-04-29 John D. Jakeman , Lorena A. Barba , Joaquim R. R. A. Martins , Thomas O'Leary-Roseberry

We introduce SATBench, a benchmark for evaluating the logical reasoning capabilities of large language models (LLMs) through logical puzzles derived from Boolean satisfiability (SAT) problems. Unlike prior work that focuses on inference…

Artificial Intelligence · Computer Science 2025-09-23 Anjiang Wei , Yuheng Wu , Yingjia Wan , Tarun Suresh , Huanmi Tan , Zhanke Zhou , Sanmi Koyejo , Ke Wang , Alex Aiken

Large language models (LLMs) are increasingly applied in scientific research, offering new capabilities for knowledge discovery and reasoning. In single-cell biology, however, evaluation practices for both general and specialized LLMs…

Artificial Intelligence · Computer Science 2026-02-27 Jiahao Zhao , Feng Jiang , Shaowei Qin , Zhonghui Zhang , Junhao Liu , Guibing Guo , Hamid Alinejad-Rokny , Min Yang

Large language models (LLMs) show strong capabilities in general reasoning but typically lack reliability in scientific domains like quantum mechanics, which demand strict adherence to physical constraints. This limitation arises from the…

Artificial Intelligence · Computer Science 2026-04-21 Songxin Qu , Tai-Ping Sun , Yun-Jie Wang , Huan-Yu Liu , Cheng Xue , Xiao-Fan Xu , Han Fang , Yang Yang , Yu-Chun Wu , Guo-Ping Guo , Zhao-Yun Chen

Prior benchmarks for evaluating the domain-specific knowledge of large language models (LLMs) lack the scalability to handle complex academic tasks. To address this, we introduce \texttt{ScholarBench}, a benchmark centered on deep expert…

Computation and Language · Computer Science 2025-10-17 Dongwon Noh , Donghyeok Koh , Junghun Yuk , Gyuwan Kim , Jaeyong Lee , Kyungtae Lim , Cheoneum Park

There is widespread optimism that frontier Large Language Models (LLMs) and LLM-augmented systems have the potential to rapidly accelerate scientific discovery across disciplines. Today, many benchmarks exist to measure LLM knowledge and…

With the rapid development of Large Language Models (LLMs), it is crucial to have benchmarks which can evaluate the ability of LLMs on different domains. One common use of LLMs is performing tasks on scientific topics, such as writing…

As Large Language Models (LLMs) achieve significant breakthroughs in complex reasoning tasks, evaluating their proficiency in science, technology, engineering, and mathematics (STEM) has become a primary method for measuring machine…

Computation and Language · Computer Science 2026-02-04 Xuzhao Li , Xuchen Li , Jian Zhao , Shiyu Hu

Existing benchmarks for evaluating mathematical reasoning in large language models (LLMs) rely primarily on competition problems, formal proofs, or artificially challenging questions -- failing to capture the nature of mathematics…

Artificial Intelligence · Computer Science 2025-10-21 Jie Zhang , Cezara Petrui , Kristina Nikolić , Florian Tramèr

Large language models (LLMs) have shown strong performance on mathematical reasoning under well-defined conditions. However, real-world engineering problems involve uncertainty, context, and open-ended settings that extend beyond symbolic…

Artificial Intelligence · Computer Science 2026-05-05 Xiyuan Zhou , Xinlei Wang , Yirui He , Yang Wu , Ruixi Zou , Yuheng Cheng , Yulu Xie , Wenxuan Liu , Huan Zhao , Yan Xu , Jinjin Gu , Junhua Zhao

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

Large language models (LLMs) have demonstrated remarkable progress in code generation, but many existing benchmarks are approaching saturation and offer little guarantee on the trustworthiness of the generated programs. To improve…

Software Engineering · Computer Science 2025-10-08 Xun Deng , Sicheng Zhong , Barış Bayazıt , Andreas Veneris , Fan Long , Xujie Si

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

As large language models (LLMs) become integral to code-related tasks, a central question emerges: Do LLMs truly understand program semantics? We introduce EquiBench, a new benchmark for evaluating LLMs through equivalence checking, i.e.,…

Machine Learning · Computer Science 2025-09-23 Anjiang Wei , Jiannan Cao , Ran Li , Hongyu Chen , Yuhui Zhang , Ziheng Wang , Yuan Liu , Thiago S. F. X. Teixeira , Diyi Yang , Ke Wang , Alex Aiken

Systematic reviews (SR), in which experts summarize and analyze evidence across individual studies to provide insights on a specialized topic, are a cornerstone for evidence-based clinical decision-making, research, and policy. Given the…

Computation and Language · Computer Science 2025-05-30 Christopher Polzak , Alejandro Lozano , Min Woo Sun , James Burgess , Yuhui Zhang , Kevin Wu , Serena Yeung-Levy

Scientific feasibility assessment asks whether a claim is consistent with established knowledge and whether experimental evidence could support or refute it. We frame feasibility assessment as a diagnostic reasoning task in which, given a…

Computation and Language · Computer Science 2026-04-22 Seyedali Mohammadi , Manas Gaur , Francis Ferraro

Despite advances in scientific AI, a coherent framework for Scientific General Intelligence (SGI)-the ability to autonomously conceive, investigate, and reason across scientific domains-remains lacking. We present an operational SGI…

Large Language Models (LLMs) are transforming scholarly tasks like search and summarization, but their reliability remains uncertain. Current evaluation metrics for testing LLM reliability are primarily automated approaches that prioritize…

Human-Computer Interaction · Computer Science 2026-02-25 Anna Martin-Boyle , William Humphreys , Martha Brown , Cara Leckey , Harmanpreet Kaur

While Large Language Models (LLMs) have demonstrated proficiency in Deep Research or Wide Search, their capacity to solve highly complex questions-those requiring long-horizon planning, massive evidence gathering, and synthesis across…

Computation and Language · Computer Science 2026-03-04 Yubo Dong , Nianhao You , Yuxuan Hou , Zixun Sun , Yue Zhang , Liang Zhang , Siyuan Zhao , Hehe Fan

We introduce seqBench, a parametrized benchmark for probing sequential reasoning limits in Large Language Models (LLMs) through precise, multi-dimensional control over several key complexity dimensions. seqBench allows systematic variation…

Artificial Intelligence · Computer Science 2025-09-23 Mohammad Ramezanali , Mo Vazifeh , Paolo Santi