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Automated discovery of physical laws from observational data in the real world is a grand challenge in AI. Current methods, relying on symbolic regression or LLMs, are limited to uni-modal data and overlook the rich, visual phenomenological…

Artificial Intelligence · Computer Science 2025-08-26 Jiaqi Liu , Songning Lai , Pengze Li , Di Yu , Wenjie Zhou , Yiyang Zhou , Peng Xia , Zijun Wang , Xi Chen , Shixiang Tang , Lei Bai , Wanli Ouyang , Mingyu Ding , Huaxiu Yao , Aoran Wang

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy selection and evaluation remains a…

Artificial Intelligence · Computer Science 2026-01-27 Peter Pak , Achuth Chandrasekhar , Amir Barati Farimani

Large language models (LLMs) are catalyzing the development of autonomous AI research agents for scientific and engineering discovery. We present FM Agent, a novel and general-purpose multi-agent framework that leverages a synergistic…

This paper introduces a novel approach to creating adaptive language agents by integrating active inference with large language models (LLMs). While LLMs demonstrate remarkable capabilities, their reliance on static prompts limits…

Computation and Language · Computer Science 2025-01-13 Rithvik Prakki

Explaining observed phenomena through symbolic, interpretable formulas is a fundamental goal of science. Recently, large language models (LLMs) have emerged as promising tools for symbolic equation discovery, owing to their broad domain…

Artificial Intelligence · Computer Science 2026-02-26 Jianke Yang , Ohm Venkatachalam , Mohammad Kianezhad , Sharvaree Vadgama , Rose Yu

Materials discovery requires navigating vast chemical and structural spaces while satisfying multiple, often conflicting, objectives. We present LLM-guided Evolution for MAterials discovery (LLEMA), a unified framework that couples the…

Machine Learning · Computer Science 2026-03-06 Nikhil Abhyankar , Sanchit Kabra , Saaketh Desai , Chandan K. Reddy

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Machine Learning · Computer Science 2024-07-23 Mengge Du , Yuntian Chen , Zhongzheng Wang , Longfeng Nie , Dongxiao Zhang

Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials…

Artificial Intelligence · Computer Science 2026-02-10 Isabella A. Stewart , Tarjei Paule Hage , Yu-Chuan Hsu , Markus J. Buehler

Existing LLM-enabled multi-agent frameworks are predominantly limited to digital or simulated environments and confined to narrowly focused knowledge domain, constraining their applicability to complex engineering tasks that require the…

Legal reasoning requires both precise interpretation of statutory language and consistent application of complex rules, presenting significant challenges for AI systems. This paper introduces a modular multi-agent framework that decomposes…

Artificial Intelligence · Computer Science 2025-11-11 Albert Sadowski , Jarosław A. Chudziak

Solving mechanics problems using numerical methods requires comprehensive intelligent capability of retrieving relevant knowledge and theory, constructing and executing codes, analyzing the results, a task that has thus far mainly been…

Artificial Intelligence · Computer Science 2023-11-15 Bo Ni , Markus J. Buehler

Large Language Models (LLMs) can generate Computer-Aided Design (CAD), yet lack physical comprehension required for reliable engineering design. Instead of attempting to implicitly learn physical laws from data, we propose a Hybrid…

Computer Vision and Pattern Recognition · Computer Science 2026-05-20 Elias Berger , Muhammad Usama , Jan Mehlstäubl , Bernhard Saske , Kristin Paetzold-Byhain

The integration of Large Language Models (LLMs) into scientific discovery is currently hindered by the Implicit Context problem, where governing equations extracted from literature contain invisible thermodynamic assumptions (e.g.,…

Databases · Computer Science 2026-03-11 Yue Wua , Tianhao Su , Rui Hu , Mingchuan Zhao , Shunbo Hu , Deng Pan , Jizhong Huang

Molecular property prediction and generative design via deep learning models has been the subject of intense research given its potential to accelerate development of new, high-performance materials. More recently, these workflows have been…

Artificial Intelligence · Computer Science 2024-12-16 Nathaniel H. Park , Tiffany J. Callahan , James L. Hedrick , Tim Erdmann , Sara Capponi

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

The advances in Artificial Intelligence (AI) and Machine Learning (ML) have opened up many avenues for scientific research, and are adding new dimensions to the process of knowledge creation. However, even the most powerful and versatile of…

Artificial Intelligence · Computer Science 2023-11-10 Jorawar Singh , Kishor Bharti , Arvind

We present Prover Agent, a novel AI agent for automated theorem proving that integrates large language models (LLMs) with a formal proof assistant, Lean. Prover Agent coordinates an informal reasoning LLM, a formal prover model, and…

Artificial Intelligence · Computer Science 2026-02-18 Kaito Baba , Chaoran Liu , Shuhei Kurita , Akiyoshi Sannai

Legal decisions should be logical and based on statutory laws. While large language models(LLMs) are good at understanding legal text, they cannot provide verifiable justifications. We present L4L, a solver-centric framework that enforces…

Artificial Intelligence · Computer Science 2026-03-06 Linze Chen , Yufan Cai , Zhe Hou , Jin Song Dong

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Large Language Model (LLM)-based multi-agent systems are increasingly applied to automate computational workflows in science and engineering. However, how inter-agent dynamics influence reasoning quality and verification reliability remains…

Artificial Intelligence · Computer Science 2025-11-07 Chuan Tian , Yilei Zhang