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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

Associative learning--forming links between co-occurring items--is fundamental to human cognition, reshaping internal representations in complex ways. Testing hypotheses on how representational changes occur in biological systems is…

Machine Learning · Computer Science 2025-10-27 Camila Kolling , Vy Ai Vo , Mariya Toneva

We show that large language models (LLMs) are remarkably good at working with interpretable models that decompose complex outcomes into univariate graph-represented components. By adopting a hierarchical approach to reasoning, LLMs can…

Humans regularly engage in analogical thinking, relating personal experiences to current situations (X is analogous to Y because of Z). Analogical thinking allows humans to solve problems in creative ways, grasp difficult concepts, and…

Computation and Language · Computer Science 2024-10-07 Xiao Ye , Andrew Wang , Jacob Choi , Yining Lu , Shreya Sharma , Lingfeng Shen , Vijay Tiyyala , Nicholas Andrews , Daniel Khashabi

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Analogical reasoning plays a critical role in human cognition, enabling us to understand new concepts by associating them with familiar ones. Previous research in the AI community has mainly focused on identifying and generating analogies…

Computation and Language · Computer Science 2024-09-26 Siyu Yuan , Cheng Jiayang , Lin Qiu , Deqing Yang

Recent advancements in Large Language Models (LLMs) have demonstrated remarkable capabilities in various domains. However, effective decision-making relies heavily on strong reasoning abilities. Reasoning is the foundation for…

Computation and Language · Computer Science 2025-06-30 Dana Alsagheer , Yang Lu , Abdulrahman Kamal , Omar Kamal , Mohammad Kamal , Nada Mansour , Cosmo Yang Wu , Rambiba Karanjai , Sen Li , Weidong Shi

Large language models (LLMs) offer new opportunities for automated data extraction and property prediction across materials science, yet their use in superconductivity research remains limited. Here we construct a large experimental…

Materials Science · Physics 2025-12-12 Suman Itani , Yibo Zhang , Ranjit Itani , Jiadong Zang

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an…

Materials Science · Physics 2023-12-12 Rachel K. Luu , Markus J. Buehler

Scientific reasoning, the process through which humans apply logic, evidence, and critical thinking to explore and interpret scientific phenomena, is essential in advancing knowledge reasoning across diverse fields. However, despite…

Computation and Language · Computer Science 2026-04-21 Yibo Yan , Shen Wang , Jiahao Huo , Jingheng Ye , Zhendong Chu , Xuming Hu , Philip S. Yu , Carla Gomes , Bart Selman , Qingsong Wen

Large Language Models (LLMs) have garnered significant attention for several years now. Recently, their use as independently reasoning agents has been proposed. In this work, we test the potential of such agents for knowledge discovery in…

Artificial Intelligence · Computer Science 2026-01-28 Andreas Werbrouck , Marshall B. Lindsay , Matthew Maschmann , Matthias J. Young

In recent years, Large Language Models (LLMs) have achieved significant success in natural language processing (NLP) and various interdisciplinary areas. However, applying LLMs to chemistry is a complex task that requires specialized domain…

Machine Learning · Computer Science 2024-02-05 Chang Liao , Yemin Yu , Yu Mei , Ying Wei

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

Large Language Models (LLMs) have emerged with many intellectual capacities. While numerous benchmarks assess their intelligence, limited attention has been given to their ability to explore--an essential capacity for discovering new…

Artificial Intelligence · Computer Science 2025-05-13 Lan Pan , Hanbo Xie , Robert C. Wilson

Recent breakthroughs in large language models (LLM) have stirred up global attention, and the research has been accelerating non-stop since then. Philosophers and psychologists have also been researching the structure of language for…

Computation and Language · Computer Science 2024-07-17 Joseph Chen

In this paper, we describe the capabilities and constraints of Large Language Models (LLMs) within disparate academic disciplines, aiming to delineate their strengths and limitations with precision. We examine how LLMs augment scientific…

Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…

Artificial Intelligence · Computer Science 2025-08-27 Taiyu Ban , Lyuzhou Chen , Derui Lyu , Xiangyu Wang , Qinrui Zhu , Qiang Tu , Huanhuan Chen

Large Language Models (LLMs) excel in diverse areas, yet struggle with complex scientific reasoning, especially in the field of chemistry. Different from the simple chemistry tasks (e.g., molecule classification) addressed in previous…

Computation and Language · Computer Science 2024-02-12 Siru Ouyang , Zhuosheng Zhang , Bing Yan , Xuan Liu , Yejin Choi , Jiawei Han , Lianhui Qin

Large language models (LLMs) have ushered in a new era for processing complex information in various fields, including science. The increasing amount of scientific literature allows these models to acquire and understand scientific…

Computation and Language · Computer Science 2024-08-21 Huy Quoc To , Ming Liu , Guangyan Huang

Ontologies of research topics are crucial for structuring scientific knowledge, enabling scientists to navigate vast amounts of research, and forming the backbone of intelligent systems such as search engines and recommendation systems.…

Digital Libraries · Computer Science 2025-06-12 Tanay Aggarwal , Angelo Salatino , Francesco Osborne , Enrico Motta