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Materials science workflows rely on structured and unstructured data from the vast body of available scientific literature. However, most of the experimental details remain buried in text, tables, graphs and figures. Thus, constructing…

Computation and Language · Computer Science 2026-05-07 Achuth Chandrasekhar , Omid Barati Farimani , Radheesh Sharma Meda , Amir Barati Farimani

While there has been a surge of interest in automated scientific discovery (ASD), especially with the emergence of LLMs, it remains challenging for tools to generate hypotheses that are both testable and grounded in the scientific…

Artificial Intelligence · Computer Science 2025-10-02 Rosni Vasu , Peter Jansen , Pao Siangliulue , Cristina Sarasua , Abraham Bernstein , Peter Clark , Bhavana Dalvi Mishra

Maintaining persona consistency is paramount in the application of open-domain dialogue systems, as exemplified by models like ChatGPT. Despite significant advancements, the limited scale and diversity of current persona dialogue datasets…

Computation and Language · Computer Science 2025-02-20 Mengze Hong , Chen Jason Zhang , Chaotao Chen , Rongzhong Lian , Di Jiang

Inductive reasoning is a core problem-solving capacity: humans can identify underlying principles from a few examples, which robustly generalize to novel scenarios. Recent work evaluates large language models (LLMs) on inductive reasoning…

Machine Learning · Computer Science 2024-06-03 Ruocheng Wang , Eric Zelikman , Gabriel Poesia , Yewen Pu , Nick Haber , Noah D. Goodman

Multi-agent large language model frameworks are promising for complex multi step reasoning, yet existing systems remain weak for scientific and knowledge intensive domains due to static prompts and agent roles, rigid workflows, and…

Artificial Intelligence · Computer Science 2026-03-04 Yichao Feng , Haoran Luo , Zhenghong Lin , Yiqun Sun , Pengfei Wei , Lawrence B. Hsieh , Anh Tuan Luu

Large language models (LLMs) have recently demonstrated impressive capabilities in reasoning tasks. Currently, mainstream LLM reasoning frameworks predominantly focus on scaling up inference-time sampling to enhance performance. In…

Computation and Language · Computer Science 2026-03-24 Hongduan Tian , Xiao Feng , Ziyuan Zhao , Xiangyu Zhu , Rolan Yan , Bo Han

Materials discovery and design are essential for advancing technology across various industries by enabling the development of application-specific materials. Recent research has leveraged Large Language Models (LLMs) to accelerate this…

Computation and Language · Computer Science 2025-02-11 Shrinidhi Kumbhar , Venkatesh Mishra , Kevin Coutinho , Divij Handa , Ashif Iquebal , Chitta Baral

Large Language Models (LLMs) have advanced autonomous agents' planning and decision-making, yet they struggle with complex tasks requiring diverse expertise and multi-step reasoning. Multi-Agent Debate (MAD) systems, introduced in NLP…

Software Engineering · Computer Science 2025-03-18 Jina Chun , Qihong Chen , Jiawei Li , Iftekhar Ahmed

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

The scientific literature is growing faster than ever. Finding an expert in a particular scientific domain has never been as hard as today because of the increasing amount of publications and because of the ever growing diversity of…

Information Retrieval · Computer Science 2020-04-09 Robin Brochier , Antoine Gourru , Adrien Guille , Julien Velcin

Text-guided molecular design is a key capability for AI-driven drug discovery, yet it remains challenging to map sequential natural-language instructions with non-linear molecular structures under strict chemical constraints. Most existing…

Artificial Intelligence · Computer Science 2026-04-23 Wengyu Zhang , Xiao-Yong Wei , Qing Li

Large language models (LLMs) have grown in their usage to provide support for question answering across numerous disciplines. The models on their own have already shown promise for answering basic questions, however fail quickly where…

Information Retrieval · Computer Science 2025-04-15 David Brett , Anniek Myatt

Current frameworks for consensus statement generation with large language models lack the inherent structure needed to provide provable fairness guarantees when aggregating diverse free-form opinions. We model the task as a multi-objective,…

Artificial Intelligence · Computer Science 2025-10-17 Carter Blair , Kate Larson

Recent years have witnessed the rapid development of Large Language Model-based Multi-Agent Systems (MAS), which excel at collaborative decision-making and complex problem-solving. Recently, researchers have further investigated Multi-Agent…

Artificial Intelligence · Computer Science 2026-01-12 Zhenghao Li , Zhi Zheng , Wei Chen , Jielun Zhao , Yong Chen , Tong Xu , Enhong Chen

The discovery of novel mechanical metamaterials, whose properties are dominated by their engineered structures rather than chemical composition, is a knowledge-intensive and resource-demanding process. To accelerate the design of novel…

The synthesis process is essential for achieving computational experiment design in the field of inorganic materials chemistry. In this work, we present a novel corpus of the synthesis process for all-solid-state batteries and an automated…

Computation and Language · Computer Science 2020-02-19 Fusataka Kuniyoshi , Kohei Makino , Jun Ozawa , Makoto Miwa

Evaluating multi-document summarization (MDS) quality is difficult. This is especially true in the case of MDS for biomedical literature reviews, where models must synthesize contradicting evidence reported across different documents. Prior…

Computation and Language · Computer Science 2023-05-24 Lucy Lu Wang , Yulia Otmakhova , Jay DeYoung , Thinh Hung Truong , Bailey E. Kuehl , Erin Bransom , Byron C. Wallace

Multi-agent systems (MAS) often achieve higher reasoning accuracy than single models, but their reliance on repeated debates across agents makes them computationally expensive. We introduce SMAGDi, a distillation framework that transfers…

Artificial Intelligence · Computer Science 2025-11-11 Aayush Aluru , Myra Malik , Samarth Patankar , Spencer Kim , Kevin Zhu , Sean O'Brien , Vasu Sharma

Large language models (LLMs) such as ChatGPT have exhibited remarkable performance in generating human-like texts. However, machine-generated texts (MGTs) may carry critical risks, such as plagiarism issues, misleading information, or…

Computation and Language · Computer Science 2024-03-01 Shuhai Zhang , Yiliao Song , Jiahao Yang , Yuanqing Li , Bo Han , Mingkui Tan

Integrating Large Language Models (LLMs) into complex software systems enables the generation of human-understandable explanations of opaque AI processes, such as automated task planning. However, the quality and reliability of these…

Artificial Intelligence · Computer Science 2026-04-24 Gricel Vázquez , Alexandros Evangelidis , Sepeedeh Shahbeigi , Radu Calinescu , Simos Gerasimou