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Discovering governing differential equations from observational data is a fundamental challenge in scientific machine learning. Existing symbolic regression approaches rely primarily on quantitative metrics; however, real-world differential…

Artificial Intelligence · Computer Science 2026-05-11 Sum Kyun Song , Bong Gyun Shin , Jae Yong Lee

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

Large language models (LLMs) are a promising venue for natural language understanding and generation. However, current LLMs are far from reliable: they are prone to generating non-factual information and, more crucially, to contradicting…

Computation and Language · Computer Science 2024-09-24 Diego Calanzone , Stefano Teso , Antonio Vergari

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

Large language models (LLMs) have achieved remarkable success across various natural language processing (NLP) tasks. However, recent studies suggest that they still face challenges in performing fundamental NLP tasks essential for deep…

Computation and Language · Computer Science 2025-04-22 Ziyan Zhang , Yang Hou , Chen Gong , Zhenghua Li

Problem-solving has been a fundamental driver of human progress in numerous domains. With advancements in artificial intelligence, Large Language Models (LLMs) have emerged as powerful tools capable of tackling complex problems across…

Machine Learning · Computer Science 2025-05-07 Da Zheng , Lun Du , Junwei Su , Yuchen Tian , Yuqi Zhu , Jintian Zhang , Lanning Wei , Ningyu Zhang , Huajun Chen

Planning in complex environments requires an agent to efficiently query a world model to find a feasible sequence of actions from start to goal. Recent work has shown that Large Language Models (LLMs), with their rich prior knowledge and…

Artificial Intelligence · Computer Science 2024-12-10 Gonzalo Gonzalez-Pumariega , Wayne Chen , Kushal Kedia , Sanjiban Choudhury

To perform effective causal inference in high-dimensional datasets, initiating the process with causal discovery is imperative, wherein a causal graph is generated based on observational data. However, obtaining a complete and accurate…

Machine Learning · Computer Science 2025-04-18 Elahe Khatibi , Mahyar Abbasian , Zhongqi Yang , Iman Azimi , Amir M. Rahmani

Large Language Models (LLMs) are important tools for reasoning and problem-solving, while they often operate passively, answering questions without actively discovering new ones. This limitation reduces their ability to simulate human-like…

Computational Engineering, Finance, and Science · Computer Science 2025-09-26 Hong Su

We consider enhancing large language models (LLMs) for complex planning tasks. While existing methods allow LLMs to explore intermediate steps to make plans, they either depend on unreliable self-verification or external verifiers to…

Artificial Intelligence · Computer Science 2025-02-27 Hongyi Ling , Shubham Parashar , Sambhav Khurana , Blake Olson , Anwesha Basu , Gaurangi Sinha , Zhengzhong Tu , James Caverlee , Shuiwang Ji

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 emerged as powerful tools in the field of Natural Language Processing (NLP) and have recently gained significant attention in the domain of Recommendation Systems (RS). These models, trained on massive…

Information Retrieval · Computer Science 2024-06-19 Likang Wu , Zhi Zheng , Zhaopeng Qiu , Hao Wang , Hongchao Gu , Tingjia Shen , Chuan Qin , Chen Zhu , Hengshu Zhu , Qi Liu , Hui Xiong , Enhong Chen

Large Transformer models are capable of implementing a plethora of so-called in-context learning algorithms. These include gradient descent, classification, sequence completion, transformation, and improvement. In this work, we investigate…

Artificial Intelligence · Computer Science 2024-02-29 Robert Tjarko Lange , Yingtao Tian , Yujin Tang

This work develops an LLM-based optimization framework ensuring strict constraint satisfaction in network optimization. While LLMs possess contextual reasoning capabilities, existing approaches often fail to enforce constraints, causing…

Networking and Internet Architecture · Computer Science 2025-09-10 Youngjin Song , Wookjin Lee , Hong Ki Kim , Sang Hyun Lee

Large Language models (LLMs) have shown promise as generators of symbolic control policies, producing interpretable program-like representations through iterative search. However, these models are not capable of separating the functional…

Machine Learning · Computer Science 2025-10-02 Carlo Bosio , Matteo Guarrera , Alberto Sangiovanni-Vincentelli , Mark W. Mueller

Although natural language is the default medium for Large Language Models (LLMs), its limited expressive capacity creates a profound bottleneck for complex problem-solving. While recent advancements in AI have relied heavily on scaling,…

Artificial Intelligence · Computer Science 2026-05-13 Zhiqin Yang , Yuhan Liu , Jingwen Fu , Pei Fu , Bo Han , Masashi Sugiyama , Nanning Zheng

Thematic analysis and other variants of inductive coding are widely used qualitative analytic methods within empirical legal studies (ELS). We propose a novel framework facilitating effective collaboration of a legal expert with a large…

Artificial Intelligence · Computer Science 2023-10-31 Jakub Drápal , Hannes Westermann , Jaromir Savelka

Large Language Models (LLMs) have advanced Automated Heuristic Design (AHD) in combinatorial optimization (CO) in the past few years. However, existing discovery pipelines often require extensive manual trial-and-error or reliance on domain…

Neural and Evolutionary Computing · Computer Science 2026-02-19 Mingxin Yu , Ruixiao Yang , Chuchu Fan

Large language models (LLMs) are predominantly used as evaluators for natural language generation (NLG) tasks, but their application to broader evaluation scenarios remains limited. In this work, we explore the potential of LLMs as general…

Artificial Intelligence · Computer Science 2025-12-02 Jie Meng , Jin Mao
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