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Symbolic regression (SR) has emerged as a powerful tool for automated scientific discovery, enabling the derivation of governing equations from experimental data. A growing body of work illustrates the promise of integrating domain…

Machine Learning · Computer Science 2025-09-04 Bilge Taskin , Wenxiong Xie , Teddy Lazebnik

Associative learning--forming links between co-occurring items--is fundamental to human cognition, reshaping internal representations in complex ways. Testing hypotheses on how representational changes occur in biological systems is…

Machine Learning · Computer Science 2025-10-27 Camila Kolling , Vy Ai Vo , Mariya Toneva

Despite their capabilities, Large Language Models (LLMs) remain opaque with limited understanding of their internal representations. Current interpretability methods either focus on input-oriented feature extraction, such as supervised…

Computation and Language · Computer Science 2025-12-03 Marco Bronzini , Carlo Nicolini , Bruno Lepri , Jacopo Staiano , Andrea Passerini

Large Language Models (LLMs) are transformer-based machine learning models that have shown remarkable performance in tasks for which they were not explicitly trained. Here, we explore the potential of LLMs to perform symbolic regression --…

Computation and Language · Computer Science 2026-04-17 Samiha Sharlin , Tyler R. Josephson

Large language models (LLMs) are beginning to reshape how chemists plan and run reactions in organic synthesis. Trained on millions of reported transformations, these text-based models can propose synthetic routes, forecast reaction…

Artificial Intelligence · Computer Science 2025-08-08 Kartar Kumar Lohana Tharwani , Rajesh Kumar , Sumita , Numan Ahmed , Yong Tang

To leverage advancements in machine learning for metallic materials design and property prediction, it is crucial to develop a data-reduced representation of metal microstructures that surpasses the limitations of current physics-based…

Large language models struggle to accumulate evidence across multiple rounds of user interaction, failing to update their beliefs in a manner consistent with Bayesian inference. Existing solutions require fine-tuning on sensitive user…

Computation and Language · Computer Science 2026-04-07 Fangzhou Lin , Peiran Li , Shuo Xing , Siyuan Yang , Qianwen Ge , Kazunori Yamada , Ziming Zhang , Haichong Zhang , Zhengzhong Tu

Large Language Models (LLMs) have shown remarkable promise in reasoning and decision-making, yet their integration with Reinforcement Learning (RL) for complex robotic tasks remains underexplored. In this paper, we propose an LLM-guided…

Machine Learning · Computer Science 2025-03-26 Chak Lam Shek , Pratap Tokekar

New products must be formulated rapidly to succeed in the global formulated product market; however, key product indicators (KPIs) can be complex, poorly understood functions of the chemical composition and processing history. Consequently,…

Machine Learning · Computer Science 2024-05-09 Alexander W. Rogers , Amanda Lane , Cesar Mendoza , Simon Watson , Adam Kowalski , Philip Martin , Dongda Zhang

The cognitive sciences aim to understand intelligence by formalizing underlying operations as computational models. Traditionally, this follows a cycle of discovery where researchers develop paradigms, collect data, and test predefined…

Artificial Intelligence · Computer Science 2026-03-24 Akshay K. Jagadish , Milena Rmus , Kristin Witte , Marvin Mathony , Marcel Binz , Eric Schulz

We study the use of large language models (LLMs) for physics instrument design and compare their performance to reinforcement learning (RL). Using only prompting, LLMs are given task constraints and summaries of prior high-scoring designs…

Instrumentation and Detectors · Physics 2026-01-13 Sara Zoccheddu , Shah Rukh Qasim , Patrick Owen , Nicola Serra

Autonomous physical science is revolutionizing materials science. In these systems, machine learning controls experiment design, execution, and analysis in a closed loop. Active learning, the machine learning field of optimal experiment…

Materials Science · Physics 2022-04-13 Alex Wang , Haotong Liang , Austin McDannald , Ichiro Takeuchi , A. Gilad Kusne

Large Language Model (LLM)-based systems present new opportunities for autonomous health monitoring in sensor-rich industrial environments. This study explores the potential of LLMs to detect and classify faults directly from sensor data,…

Artificial Intelligence · Computer Science 2025-09-30 Xian Yeow Lee , Lasitha Vidyaratne , Ahmed Farahat , Chetan Gupta

Compressed sensing can decrease scanning transmission electron microscopy electron dose and scan time with minimal information loss. Traditionally, sparse scans used in compressed sensing sample a static set of probing locations. However,…

Machine Learning · Computer Science 2021-03-12 Jeffrey M. Ede

Discovering explicit physical laws has traditionally depended on human intuition and domain expertise. Recent advances in artificial intelligence, particularly large language models (LLMs), offer a new route to accelerate this process by…

Materials Science · Physics 2026-01-30 Bo Hu , Siyu Liu , Beilin Ye , Yun Hao , Yanhui Liu , Yang Lu , Ju Li , David J. Srolovitz , Tongqi Wen

Recent advances in (scanning) transmission electron microscopy have enabled routine generation of large volumes of high-veracity structural data on 2D and 3D materials, naturally offering the challenge of using these as starting inputs for…

Data Analysis, Statistics and Probability · Physics 2022-11-08 Ayana Ghosh , Maxim Ziatdinov , Ondrej Dyck , Bobby Sumpter , Sergei V. Kalinin

Large language models (LLMs) struggle with formal domains that require rigorous logical deduction and symbolic reasoning, such as mathematical proof generation. We propose a neuro-symbolic approach that combines LLMs' generative strengths…

Artificial Intelligence · Computer Science 2026-05-26 Oren Sultan , Eitan Stern , Dafna Shahaf

Due to an exponential increase in published research articles, it is impossible for individual scientists to read all publications, even within their own research field. In this work, we investigate the use of large language models (LLMs)…

Large language models deliver strong generative performance but at the cost of massive parameter counts, memory use, and decoding latency. Prior work has shown that pruning and structured sparsity can preserve accuracy under substantial…

Computation and Language · Computer Science 2026-04-17 Andrew Kiruluta

We present a method for generating training data for reinforcement learning with verifiable rewards to improve small open-weights language models on mathematical tasks. Existing data generation approaches rely on open-loop pipelines and…

Machine Learning · Computer Science 2026-02-24 Teresa Yeo , Myeongho Jeon , Dulaj Weerakoon , Rui Qiao , Alok Prakash , Armando Solar-Lezama , Archan Misra
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