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Related papers: SciAgent: Tool-augmented Language Models for Scien…

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Large Language Model (LLM)-based agents have recently shown impressive capabilities in complex reasoning and tool use via multi-step interactions with their environments. While these agents have the potential to tackle complicated tasks,…

Artificial Intelligence · Computer Science 2025-11-04 Jiaye Lin , Yifu Guo , Yuzhen Han , Sen Hu , Ziyi Ni , Licheng Wang , Mingguang Chen , Hongzhang Liu , Ronghao Chen , Yangfan He , Daxin Jiang , Binxing Jiao , Chen Hu , Huacan Wang

Research in AI4Science has shown promise in many science applications, including polymer design. However, current LLMs are ineffective in this problem space because: (i) most models lack polymer-specific knowledge, and (ii) existing aligned…

Computation and Language · Computer Science 2026-05-28 Dikshya Mohanty , Mohammad Saqib Hasan , Syed Mostofa Monsur , Size Zheng , Benjamin Hsiao , Niranjan Balasubramanian

We introduce Agentic Reasoning, a framework that enhances large language model (LLM) reasoning by integrating external tool-using agents. Agentic Reasoning dynamically leverages web search, code execution, and structured memory to address…

Artificial Intelligence · Computer Science 2025-07-16 Junde Wu , Jiayuan Zhu , Yuyuan Liu , Min Xu , Yueming Jin

Large language models (LLMs) are powerful artificial intelligence (AI) tools transforming how research is conducted. However, their use in research has been met with skepticism, due to concerns about hallucinations, biases and potential…

Artificial Intelligence · Computer Science 2025-07-08 Ruian Ke , Ruy M. Ribeiro

Precision therapeutics require multimodal adaptive models that generate personalized treatment recommendations. We introduce TxAgent, an AI agent that leverages multi-step reasoning and real-time biomedical knowledge retrieval across a…

Artificial Intelligence · Computer Science 2025-03-17 Shanghua Gao , Richard Zhu , Zhenglun Kong , Ayush Noori , Xiaorui Su , Curtis Ginder , Theodoros Tsiligkaridis , Marinka Zitnik

Large Language Models (LLMs) have shown impressive performance on existing medical question-answering benchmarks. This high performance makes it increasingly difficult to meaningfully evaluate and differentiate advanced methods. We present…

Computation and Language · Computer Science 2025-03-21 Xiangru Tang , Daniel Shao , Jiwoong Sohn , Jiapeng Chen , Jiayi Zhang , Jinyu Xiang , Fang Wu , Yilun Zhao , Chenglin Wu , Wenqi Shi , Arman Cohan , Mark Gerstein

The exponential growth of online textual content across diverse domains has necessitated advanced methods for automated text classification. Large Language Models (LLMs) based on transformer architectures have shown significant success in…

Computation and Language · Computer Science 2025-09-09 Zhyar Rzgar K Rostam , Gábor Kertész

The scientific reasoning ability of large language models (LLMs) has recently attracted significant attention. Time series, as a fundamental modality in scientific data, presents unique challenges that are often overlooked in current…

Large Language Models (LLMs) equipped with external tools have demonstrated enhanced performance on complex reasoning tasks. The widespread adoption of this tool-augmented reasoning is hindered by the scarcity of domain-specific tools. For…

Computation and Language · Computer Science 2025-10-10 Murong Yue , Zhiwei Liu , Liangwei Yang , Jianguo Zhang , Zuxin Liu , Haolin Chen , Ziyu Yao , Silvio Savarese , Caiming Xiong , Shelby Heinecke , Huan Wang

Clinical calculators are widely used, and large language models (LLMs) make it possible to engage them using natural language. We demonstrate a purpose-built chatbot that leverages software implementations of verifiable clinical calculators…

Quantitative Methods · Quantitative Biology 2025-03-25 Niranjan Kumar , Farid Seifi , Marisa Conte , Allen Flynn

Scientific Machine Learning (SciML) integrates data-driven inference with physical modeling to solve complex problems in science and engineering. However, the design of SciML architectures, loss formulations, and training strategies remains…

Artificial Intelligence · Computer Science 2026-02-17 Qile Jiang , George Karniadakis

Large language models (LLMs) have demonstrated impressive performance in understanding language and executing complex reasoning tasks. However, LLMs with long context windows have been notorious for their expensive training costs and high…

Computation and Language · Computer Science 2024-03-14 Jun Zhao , Can Zu , Hao Xu , Yi Lu , Wei He , Yiwen Ding , Tao Gui , Qi Zhang , Xuanjing Huang

In recent years, the research focus of large language models (LLMs) and agents has shifted increasingly from demonstrating novel capabilities to complex reasoning and tackling challenging tasks. However, existing evaluations focus mainly on…

The rapid evolution of large language models (LLMs) holds promise for reforming the methodology of spatio-temporal data mining. However, current works for evaluating the spatio-temporal understanding capability of LLMs are somewhat limited…

Computation and Language · Computer Science 2024-06-28 Wenbin Li , Di Yao , Ruibo Zhao , Wenjie Chen , Zijie Xu , Chengxue Luo , Chang Gong , Quanliang Jing , Haining Tan , Jingping Bi

Large language models (LLMs) have demonstrated significant potential to accelerate scientific discovery as valuable tools for analyzing data, generating hypotheses, and supporting innovative approaches in various scientific fields. In this…

Computation and Language · Computer Science 2025-10-30 Jin Huang , Silviu Cucerzan , Sujay Kumar Jauhar , Ryen W. White

Driven by curiosity, humans have continually sought to explore and understand the world around them, leading to the invention of various tools to satiate this inquisitiveness. Despite not having the capacity to process and memorize vast…

Artificial Intelligence · Computer Science 2024-01-11 Haojie Pan , Zepeng Zhai , Hao Yuan , Yaojia Lv , Ruiji Fu , Ming Liu , Zhongyuan Wang , Bing Qin

Advancement in Large Language Models (LLMs) reasoning capabilities enables them to solve scientific problems with enhanced efficacy. Thereby, a high-quality benchmark for comprehensive and appropriate assessment holds significance, while…

Large Language Models (LLMs) have emerged as a powerful tool in advancing the Text-to-SQL task, significantly outperforming traditional methods.Nevertheless, as a nascent research field, there is still no consensus on the optimal prompt…

Computation and Language · Computer Science 2026-03-20 Bin Zhang , Yuxiao Ye , Guoqing Du , Xiaoru Hu , Zhishuai Li , Chi Harold Liu , Zhiwei Xu , Guoliang Fan , Rui Zhao , Ziyue Li , Hangyu Mao

This study evaluates large language models (LLMs) in generating code from algorithm descriptions in recent NLP papers. The task requires two key competencies: (1) algorithm comprehension: synthesizing information from papers and academic…

Computation and Language · Computer Science 2025-08-08 Yanzheng Xiang , Hanqi Yan , Shuyin Ouyang , Lin Gui , Yulan He

Large Language Models (LLMs) exhibit emerging in-context learning abilities through prompt engineering. The recent progress in large-scale generative models has further expanded their use in real-world language applications. However, the…

Computation and Language · Computer Science 2024-04-12 Linyi Yang , Shuibai Zhang , Zhuohao Yu , Guangsheng Bao , Yidong Wang , Jindong Wang , Ruochen Xu , Wei Ye , Xing Xie , Weizhu Chen , Yue Zhang