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Related papers: Do We Need Bigger Models for Science? Task-Aware R…

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In a post-ChatGPT world, this paper explores the potential of leveraging scalable artificial intelligence for scientific discovery. We propose that scaling up artificial intelligence on high-performance computing platforms is essential to…

Machine Learning · Computer Science 2024-06-27 Wesley Brewer , Aditya Kashi , Sajal Dash , Aristeidis Tsaris , Junqi Yin , Mallikarjun Shankar , Feiyi Wang

Despite the recent advancement in Retrieval-Augmented Generation (RAG) systems, most retrieval methodologies are often developed for factual retrieval, which assumes query and positive documents are semantically similar. In this paper, we…

Information Retrieval · Computer Science 2025-04-10 Luo Ji , Feixiang Guo , Teng Chen , Qingqing Gu , Xiaoyu Wang , Ningyuan Xi , Yihong Wang , Peng Yu , Yue Zhao , Hongyang Lei , Zhonglin Jiang , Yong Chen

Advancements in artificial intelligence for molecular science are necessitating a paradigm shift from purely data-driven predictions to knowledge-guided computational reasoning. Existing molecular models are predominantly proprietary,…

Machine Learning · Computer Science 2026-03-16 Pengfei Liu , Shuang Ge , Jun Tao , Zhixiang Ren

The reproduction and replication of novel results has become a major issue for a number of scientific disciplines. In computer science and related computational disciplines such as systems biology, the issues closely revolve around the…

Software Engineering · Computer Science 2014-09-17 Tom Crick , Benjamin A. Hall , Samin Ishtiaq

This paper is about a better understanding on the structure and dynamics of science and the usage of these insights for compensating the typical problems that arises in metadata-driven Digital Libraries. Three science model driven retrieval…

Information Retrieval · Computer Science 2011-01-11 Philipp Mayr , Philipp Schaer , Peter Mutschke

Retrieving relevant contexts from a large corpus is a crucial step for tasks such as open-domain question answering and fact checking. Although neural retrieval outperforms traditional methods like tf-idf and BM25, its performance degrades…

Computation and Language · Computer Science 2021-01-05 Jean Maillard , Vladimir Karpukhin , Fabio Petroni , Wen-tau Yih , Barlas Oğuz , Veselin Stoyanov , Gargi Ghosh

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

Large language models are a form of artificial intelligence systems whose primary knowledge consists of the statistical patterns, semantic relationships, and syntactical structures of language1. Despite their limited forms of "knowledge",…

Artificial Intelligence · Computer Science 2023-10-13 Yizhen Zheng , Huan Yee Koh , Jiaxin Ju , Anh T. N. Nguyen , Lauren T. May , Geoffrey I. Webb , Shirui Pan

Retrieval-augmented generation (RAG) has emerged as an approach to augment large language models (LLMs) by reducing their reliance on static knowledge and improving answer factuality. RAG retrieves relevant context snippets and generates an…

Computation and Language · Computer Science 2025-02-21 Juraj Vladika , Florian Matthes

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

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

Scientific reasoning rarely stops at what is directly observable; it often requires uncovering hidden structure from data. From estimating reaction constants in chemistry to inferring demand elasticities in economics, this latent structure…

Artificial Intelligence · Computer Science 2026-05-01 Chaemin Jang , Woojin Park , Hyeok Yun , Dongman Lee , Jihee Kim

As scientific knowledge grows at an unprecedented pace, evaluation benchmarks must evolve to reflect new discoveries and ensure language models are tested on current, diverse literature. We propose a scalable, modular framework for…

Computation and Language · Computer Science 2025-09-16 Ozan Gokdemir , Neil Getty , Robert Underwood , Sandeep Madireddy , Franck Cappello , Arvind Ramanathan , Ian T. Foster , Rick L. Stevens

The Retrieval-Augmented Language Model (RALM) has shown remarkable performance on knowledge-intensive tasks by incorporating external knowledge during inference, which mitigates the factual hallucinations inherited in large language models…

Computation and Language · Computer Science 2024-12-20 Yuan Xia , Jingbo Zhou , Zhenhui Shi , Jun Chen , Haifeng Huang

Large language models (LLMs) have shown impressive capabilities across a wide range of language tasks. However, their reasoning process is primarily guided by statistical patterns in training data, which limits their ability to handle novel…

Artificial Intelligence · Computer Science 2025-08-21 Hong Su

The reproduction and replication of research results has become a major issue for a number of scientific disciplines. In computer science and related computational disciplines such as systems biology, the challenges closely revolve around…

Software Engineering · Computer Science 2017-07-31 Tom Crick , Benjamin A. Hall , Samin Ishtiaq

Large language models (LLMs) have been widely applied to assist in finding solutions for diverse questions. Prior work has proposed representing a method as a pair of a question and its corresponding solution, enabling method reuse.…

Computation and Language · Computer Science 2025-10-17 Hong Su

Small language models (SLMs) enable low-cost, private, on-device inference, but they often fail on problems that require specialized domain knowledge or multi-step reasoning. Existing approaches for improving reasoning either rely on scale…

Computation and Language · Computer Science 2026-01-08 Kenan Alkiek , David Jurgens , Vinod Vydiswaran

Scientific workflow systems are increasingly popular for expressing and executing complex data analysis pipelines over large datasets, as they offer reproducibility, dependability, and scalability of analyses by automatic parallelization on…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-09 Mario Sänger , Ninon De Mecquenem , Katarzyna Ewa Lewińska , Vasilis Bountris , Fabian Lehmann , Ulf Leser , Thomas Kosch