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Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…

Machine Learning · Computer Science 2021-08-19 Karl Otness , Arvi Gjoka , Joan Bruna , Daniele Panozzo , Benjamin Peherstorfer , Teseo Schneider , Denis Zorin

Innovations across science and industry are evaluated using randomized trials (a.k.a. A/B tests). While simple and robust, such static designs are inefficient or infeasible for testing many hypotheses. Adaptive designs can greatly improve…

Machine Learning · Computer Science 2024-08-09 Jimmy Wang , Ethan Che , Daniel R. Jiang , Hongseok Namkoong

Large Language Model (LLM)-based scientific agents have accelerated scientific discovery, yet they often suffer from significant inefficiencies due to adherence to fixed initial priors. Existing approaches predominantly operate within a…

Machine Learning · Computer Science 2026-02-09 Yingming Pu , Tao Lin , Hongyu Chen

We introduce ESGenius, a comprehensive benchmark for evaluating and enhancing the proficiency of Large Language Models (LLMs) in Environmental, Social, and Governance (ESG) and sustainability-focused question answering. ESGenius comprises…

Computation and Language · Computer Science 2026-03-09 Chaoyue He , Xin Zhou , Yi Wu , Xinjia Yu , Yan Zhang , Lei Zhang , Di Wang , Shengfei Lyu , Hong Xu , Xiaoqiao Wang , Wei Liu , Chunyan Miao

Equations, particularly differential equations, are fundamental for understanding natural phenomena and predicting complex dynamics across various scientific and engineering disciplines. However, the governing equations for many complex…

Machine Learning · Computer Science 2025-04-15 Junfeng Chen , Kailiang Wu , Dongbin Xiu

This study investigates the current landscape and future directions of protein foundation model research. While recent advancements have transformed protein science and engineering, the field lacks a comprehensive benchmark for fair…

Biomolecules · Quantitative Biology 2025-06-19 Zhangyang Gao , Hao Wang , Cheng Tan , Chenrui Xu , Mengdi Liu , Bozhen Hu , Linlin Chao , Xiaoming Zhang , Stan Z. Li

Hydro-Science and Engineering (Hydro-SE) is a critical and irreplaceable domain that secures human water supply, generates clean hydropower energy, and mitigates flood and drought disasters. Featuring multiple engineering objectives,…

Event extraction (EE) is a critical direction in the field of information extraction, laying an important foundation for the construction of structured knowledge bases. EE from text has received ample research and attention for years, yet…

Multimedia · Computer Science 2024-08-26 Bin Wang , Meishan Zhang , Hao Fei , Yu Zhao , Bobo Li , Shengqiong Wu , Wei Ji , Min Zhang

Spatial confounding poses a significant challenge in scientific studies involving spatial data, where unobserved spatial variables can influence both treatment and outcome, possibly leading to spurious associations. To address this problem,…

Machine Learning · Computer Science 2024-12-04 Mauricio Tec , Ana Trisovic , Michelle Audirac , Sophie Woodward , Jie Kate Hu , Naeem Khoshnevis , Francesca Dominici

This paper shares a perspective for the research software engineering (RSE) community to navigate the National Laboratory landscape. The RSE role is a recent concept that led to organizational challenges to place and evaluate their impact,…

Software Engineering · Computer Science 2022-09-07 William F Godoy

Scientometric predictors of research performance need to be validated by showing that they have a high correlation with the external criterion they are trying to predict. The UK Research Assessment Exercise (RAE), together with the growing…

Information Retrieval · Computer Science 2007-05-23 Stevan Harnad

Science is driven by community endeavors across diverse fields and specializations, forming a complex structure that renders conventional performance evaluation methods inadequate. Using established indicators, the network-based normalized…

Digital Libraries · Computer Science 2026-02-09 Adarsh Raghuvanshi , Hrishidev Unni , Vinayak , Anirban Chakraborti

While research on scientific claim verification has led to the development of powerful systems that appear to approach human performance, these approaches have yet to be tested in a realistic setting against large corpora of scientific…

Computation and Language · Computer Science 2022-10-26 David Wadden , Kyle Lo , Bailey Kuehl , Arman Cohan , Iz Beltagy , Lucy Lu Wang , Hannaneh Hajishirzi

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…

Reproducibility is a fundamental requirement of the scientific process since it enables outcomes to be replicated and verified. Computational scientific experiments can benefit from improved reproducibility for many reasons, including…

Databases · Computer Science 2019-09-04 Maria Luiza Mondelli , A. Townsend Peterson , Luiz M. R. Gadelha

The emergence of Large Language Models (LLMs) presents transformative opportunities for education, generating numerous novel application scenarios. However, significant challenges remain: evaluation metrics vary substantially across…

Computers and Society · Computer Science 2025-08-01 Shou'ang Wei , Xinyun Wang , Shuzhen Bi , Jian Chen , Ruijia Li , Bo Jiang , Xin Lin , Min Zhang , Yu Song , BingDong Li , Aimin Zhou , Hao Hao

The increasing complexity of large language models (LLMs) raises concerns about their ability to "cheat" on standard Question Answering (QA) benchmarks by memorizing task-specific data. This undermines the validity of benchmark evaluations,…

Computation and Language · Computer Science 2025-09-16 Yixiong Fang , Tianran Sun , Yuling Shi , Min Wang , Xiaodong Gu

Large language models (LLMs) are increasingly used in scientific research and discovery, supporting tasks ranging from literature retrieval and synthesis to hypothesis generation, autonomous experimentation, and research evaluation.…

Digital Libraries · Computer Science 2026-05-13 Haoxuan Zhang , Ruochi Li , Yang Zhang , Ting Xiao , Jiangping Chen , Junhua Ding , Haihua Chen

The rapid expansion of Earth Science data from satellite observations, reanalysis products, and numerical simulations has created a critical bottleneck in scientific discovery, namely identifying relevant datasets for a given research…

Databases · Computer Science 2026-03-03 Youran Sun , Yixin Wen , Haizhao Yang

Evaluating the capabilities and risks of foundation models is paramount, yet current methods demand extensive domain expertise, hindering their scalability as these models rapidly evolve. We introduce SKATE: a novel evaluation framework in…

Artificial Intelligence · Computer Science 2026-02-13 Dewi S. W. Gould , Bruno Mlodozeniec , Samuel F. Brown