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Current multimodal large language models (MLLMs) are mainly focused on the understanding and processing of perceptual modalities such as images and videos, while their capability for scientific data understanding remains insufficient. To…

Artificial Intelligence · Computer Science 2026-05-14 Yanjie Li , Lina Yu , Weijun Li , Min Wu , Liping Zhang , Jingyi Liu , Yusong Deng , Mingzhu Wan , Xin Ning

Large Language Models (LLMs) have emerged as a transformative power in enhancing natural language comprehension, representing a significant stride toward artificial general intelligence. The application of LLMs extends beyond conventional…

Deriving governing equations from observational data, known as Symbolic Regression (SR), is a cornerstone of scientific discovery. Large Language Models, (LLMs) have shown promise in this task by leveraging their vast cross-disciplinary…

Computational Engineering, Finance, and Science · Computer Science 2025-10-01 Yingfan Hua , Ruikun Li , Jun Yao , Guohang Zhuang , Shixiang Tang , Bin Liu , Wanli Ouyang , Yan Lu

Discovering governing equations from scientific data is crucial for understanding the evolution of systems, and is typically framed as a search problem within a candidate equation space. However, the high-dimensional nature of dynamical…

Computational Engineering, Finance, and Science · Computer Science 2025-08-05 Ruikun Li , Yan Lu , Shixiang Tang , Biqing Qi , Wanli Ouyang

Large Language Models (LLMs) create exciting possibilities for powerful language processing tools to accelerate research in materials science. While LLMs have great potential to accelerate materials understanding and discovery, they…

Materials Science · Physics 2024-09-26 Santiago Miret , N M Anoop Krishnan

Despite the dramatic progress in Large Language Model (LLM) development, LLMs often provide seemingly plausible but not factual information, often referred to as hallucinations. Retrieval-augmented LLMs provide a non-parametric approach to…

Computation and Language · Computer Science 2023-11-09 Sai Munikoti , Anurag Acharya , Sridevi Wagle , Sameera Horawalavithana

Uncovering hidden symbolic laws from time series data, as an aspiration dating back to Kepler's discovery of planetary motion, remains a core challenge in scientific discovery and artificial intelligence. While Large Language Models show…

Artificial Intelligence · Computer Science 2026-04-27 Zewen Liu , Juntong Ni , Xianfeng Tang , Max S. Y. Lau , Qi He , Wenpeng Yin , Wei Jin

Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of…

Recent claims of strong performance by Large Language Models (LLMs) on causal discovery are undermined by a key flaw: many evaluations rely on benchmarks likely included in pretraining corpora. Thus, apparent success suggests that LLM-only…

Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…

Artificial Intelligence · Computer Science 2025-08-27 Taiyu Ban , Lyuzhou Chen , Derui Lyu , Xiangyu Wang , Qinrui Zhu , Qiang Tu , Huanhuan Chen

In many scientific fields, large language models (LLMs) have revolutionized the way text and other modalities of data (e.g., molecules and proteins) are handled, achieving superior performance in various applications and augmenting the…

Computation and Language · Computer Science 2024-10-01 Yu Zhang , Xiusi Chen , Bowen Jin , Sheng Wang , Shuiwang Ji , Wei Wang , Jiawei Han

The rapid advancement of large language models (LLMs) has opened new boundaries in the extraction and synthesis of medical knowledge, particularly within evidence synthesis. This paper reviews the state-of-the-art applications of LLMs in…

Scientific software relies on high-precision computation, yet finite floating-point representations can introduce precision errors that propagate in safety-critical domains. Despite the growing use of large language models (LLMs) in…

Software Engineering · Computer Science 2026-04-10 Tien Nguyen , Kirshanthan Sundararajah , Muhammad Ali Gulzar

Given the remarkable performance of Large Language Models (LLMs), an important question arises: Can LLMs conduct human-like scientific research and discover new knowledge, and act as an AI scientist? Scientific discovery is an iterative…

Machine Learning · Computer Science 2025-02-24 Tingting Chen , Srinivas Anumasa , Beibei Lin , Vedant Shah , Anirudh Goyal , Dianbo Liu

As artificial intelligence (AI) gains greater adoption in a wide variety of applications, it has immense potential to contribute to mathematical discovery, by guiding conjecture generation, constructing counterexamples, assisting in…

Artificial Intelligence · Computer Science 2023-10-27 Hassen Saidi , Susmit Jha , Tuhin Sahai

The scientific literature's exponential growth makes it increasingly challenging to navigate and synthesize knowledge across disciplines. Large language models (LLMs) are powerful tools for understanding scientific text, but they fail to…

Computation and Language · Computer Science 2025-05-30 Abhipsha Das , Nicholas Lourie , Siavash Golkar , Mariel Pettee

The trade-off between expressiveness and interpretability remains a core challenge when building human-centric predictive models for classification and decision-making. While symbolic rules offer interpretability, they often lack…

Artificial Intelligence · Computer Science 2024-06-26 Ruochen Wang , Si Si , Felix Yu , Dorothea Wiesmann , Cho-Jui Hsieh , Inderjit Dhillon

As large language models (LLMs) increasingly exhibit human-like capabilities, a fundamental question emerges: How can we enable LLMs to learn the underlying patterns from limited examples in entirely novel environments and apply them…

Computation and Language · Computer Science 2025-09-23 Brian S. Lin , Jiaxin Yuan , Zihan Zhou , Shouli Wang , Shuo Wang , Cunliang Kong , Qi Shi , Yuxuan Li , Liner Yang , Zhiyuan Liu , Maosong Sun

Large Language Models (LLMs) have shown remarkable performance in various natural language processing tasks but face challenges in mathematical reasoning, where complex problem-solving requires both linguistic understanding and mathematical…

Computation and Language · Computer Science 2025-03-20 Shuguang Chen , Guang Lin