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Large Language Models (LLMs) have the potential to accelerate small molecule drug design due to their ability to reason about information from diverse sources and formats. However, their practical utility remains unclear due to the lack of…

The potential of large language models (LLMs) as decision support tools is increasingly being explored in fields such as business, engineering, and medicine, which often face challenging tasks of decision-making under uncertainty. In this…

Artificial Intelligence · Computer Science 2024-10-14 Ollie Liu , Deqing Fu , Dani Yogatama , Willie Neiswanger

The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and…

Computation and Language · Computer Science 2024-07-16 Biqing Qi , Kaiyan Zhang , Kai Tian , Haoxiang Li , Zhang-Ren Chen , Sihang Zeng , Ermo Hua , Hu Jinfang , Bowen Zhou

Large Language Models (LLMs) have emerged as highly capable systems and are increasingly being integrated into various uses. However, the rapid pace of their deployment has outpaced a comprehensive understanding of their internal mechanisms…

Computation and Language · Computer Science 2025-10-27 Gabriele Prato , Jerry Huang , Prasanna Parthasarathi , Shagun Sodhani , Sarath Chandar

Scientific literature is growing exponentially, creating a critical bottleneck for researchers to efficiently synthesize knowledge. While general-purpose Large Language Models (LLMs) show potential in text processing, they often fail to…

Computation and Language · Computer Science 2025-09-11 Fengyu She , Nan Wang , Hongfei Wu , Ziyi Wan , Jingmian Wang , Chang Wang

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Machine Learning · Computer Science 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang

Large Language Models (LLMs) are increasingly deployed as scientific AI as- sistants, and a growing body of benchmarks evaluates their capabilities across knowledge retrieval, reasoning, code generation, and tool use. These evaluations,…

Large Language Models (LLMs) have shown powerful performance and development prospects and are widely deployed in the real world. However, LLMs can capture social biases from unprocessed training data and propagate the biases to downstream…

Computation and Language · Computer Science 2024-02-22 Yingji Li , Mengnan Du , Rui Song , Xin Wang , Ying Wang

The rapid advancement of Large Language Models (LLMs) is reshaping software engineering by profoundly influencing coding, documentation, and system maintenance practices. As these tools become deeply embedded in developers' daily workflows,…

Software Engineering · Computer Science 2025-12-29 Vítor Mateus de Brito , Kleinner Farias

Large Language Models (LLMs) have transformed natural language processing and hold growing promise for advancing science, healthcare, and decision-making. Yet their training paradigms remain dominated by affirmation-based inference, akin to…

Artificial Intelligence · Computer Science 2025-12-05 Peter B. Walker , Hannah Davidson , Aiden Foster , Matthew Lienert , Thomas Pardue , Dale Russell

The proliferation of fake news has had far-reaching implications on politics, the economy, and society at large. While Fake news detection methods have been employed to mitigate this issue, they primarily depend on two essential elements:…

Computation and Language · Computer Science 2024-03-18 Guanghua Li , Wensheng Lu , Wei Zhang , Defu Lian , Kezhong Lu , Rui Mao , Kai Shu , Hao Liao

Logical reasoning consistently plays a fundamental and significant role in the domains of knowledge engineering and artificial intelligence. Recently, Large Language Models (LLMs) have emerged as a noteworthy innovation in natural language…

Computation and Language · Computer Science 2024-09-17 Fangzhi Xu , Qika Lin , Jiawei Han , Tianzhe Zhao , Jun Liu , Erik Cambria

Large Language Models (LLMs) are shifting how scientific research is done. It is imperative to understand how researchers interact with these models and how scientific sub-communities like astronomy might benefit from them. However, there…

Scientific discovery is an inherently creative and uncertain process, requiring reasoning beyond the recall of known knowledge. While many benchmarks have been proposed to evaluate large language model (LLM) performance on deep research…

Artificial Intelligence · Computer Science 2026-05-29 A. J. Lew , Y. Cao , M. J. Buehler

Large language models (LLMs) have achieved remarkable performance on diverse benchmarks, yet existing evaluation practices largely rely on coarse summary metrics that obscure underlying reasoning abilities. In this work, we propose novel…

Methodology · Statistics 2026-03-17 Jia Liu , Zhiyu Xu , Yuqi Gu

This report aims to evaluate the performance of large language models (LLMs) in solving high school science questions and to explore their potential applications in the educational field. With the rapid development of LLMs in the field of…

Computation and Language · Computer Science 2025-05-02 Zhu Jiawei , Chen Wei

Automatic disease diagnosis has become increasingly valuable in clinical practice. The advent of large language models (LLMs) has catalyzed a paradigm shift in artificial intelligence, with growing evidence supporting the efficacy of LLMs…

Since the advent of Large Language Models (LLMs), efforts have largely focused on improving their instruction-following and deductive reasoning abilities, leaving open the question of whether these models can truly discover new knowledge.…

Computation and Language · Computer Science 2025-10-31 Kaiyu He , Zhiyu Chen

While Large Language Models (LLMs) demonstrate remarkable capabilities in scientific tasks such as literature analysis and experimental design (e.g., accurately extracting key findings from papers or generating coherent experimental…

Computation and Language · Computer Science 2026-02-24 Kai Ruan , Xuan Wang , Jixiang Hong , Peng Wang , Yang Liu , Hao Sun

The rapid rise in popularity of Large Language Models (LLMs) with emerging capabilities has spurred public curiosity to evaluate and compare different LLMs, leading many researchers to propose their own LLM benchmarks. Noticing preliminary…

Artificial Intelligence · Computer Science 2025-05-15 Timothy R. McIntosh , Teo Susnjak , Nalin Arachchilage , Tong Liu , Paul Watters , Malka N. Halgamuge