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The rapid advancement of artificial intelligence, particularly with the development of Large Language Models (LLMs) built on the transformer architecture, has redefined the capabilities of natural language processing. These models now…

Computation and Language · Computer Science 2025-02-11 Andrea Matarazzo , Riccardo Torlone

Recent years have witnessed remarkable progress made in large language models (LLMs). Such advancements, while garnering significant attention, have concurrently elicited various concerns. The potential of these models is undeniably vast;…

Computation and Language · Computer Science 2023-09-27 Tianhao Shen , Renren Jin , Yufei Huang , Chuang Liu , Weilong Dong , Zishan Guo , Xinwei Wu , Yan Liu , Deyi Xiong

Large Language Models (LLMs) have garnered considerable interest due to their impressive natural language capabilities, which in conjunction with various emergent properties make them versatile tools in workflows ranging from complex code…

Materials Science · Physics 2024-10-22 Ge Lei , Ronan Docherty , Samuel J. Cooper

While Large Language Models (LLMs) achieve near-human performance on standard benchmarks, their capabilities often fail to generalize to complex, real-world problems. To bridge this gap, we introduce DeepQuestion, a scalable, automated…

Computation and Language · Computer Science 2026-03-02 Ali Khoramfar , Ali Ramezani , Mohammad Mahdi Mohajeri , Mohammad Javad Dousti , Majid Nili Ahmadabadi , Heshaam Faili

Software vulnerability detection is generally supported by automated static analysis tools, which have recently been reinforced by deep learning (DL) models. However, despite the superior performance of DL-based approaches over rule-based…

Software Engineering · Computer Science 2024-05-03 Yanjing Yang , Xin Zhou , Runfeng Mao , Jinwei Xu , Lanxin Yang , Yu Zhangm , Haifeng Shen , He Zhang

Large Language Models (LLMs) achieve impressive performance in a wide range of tasks, even if they are often trained with the only objective of chatting fluently with users. Among other skills, LLMs show emergent abilities in mathematical…

Computation and Language · Computer Science 2024-06-12 Flavio Petruzzellis , Alberto Testolin , Alessandro Sperduti

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an…

Materials Science · Physics 2023-12-12 Rachel K. Luu , Markus J. Buehler

Large Language Models (LLMs) show great promise as a powerful tool for scientific literature exploration. However, their effectiveness in providing scientifically accurate and comprehensive answers to complex questions within specialized…

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

Accessing the synthesizability of crystal structures is pivotal for advancing the practical application of theoretical material structures designed by machine learning or high-throughput screening. However, a significant gap exists between…

Materials Science · Physics 2024-07-10 Zhilong Song , Shuaihua Lu , Minggang Ju , Qionghua Zhou , Jinlan Wang

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

With the recent rise of widely successful deep learning models, there is emerging interest among professionals in various math and science communities to see and evaluate the state-of-the-art models' abilities to collaborate on finding or…

Computation and Language · Computer Science 2023-10-18 Sophia Gu

Foundation models, such as Large Language Models (LLMs), can respond to a wide range of format-free queries without any task-specific data collection or model training, creating various research and application opportunities for the…

Systems and Control · Electrical Eng. & Systems 2023-12-13 Chenghao Huang , Siyang Li , Ruohong Liu , Hao Wang , Yize Chen

This paper investigates the potential of AI models, particularly large language models (LLMs), to support knowledge exploration and augment human creativity during ideation. We present "Latent Lab" an interactive tool for discovering…

Artificial Intelligence · Computer Science 2023-11-23 Kevin Dunnell , Trudy Painter , Andrew Stoddard , Andy Lippman

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

Existing benchmarks for evaluating mathematical reasoning in large language models (LLMs) rely primarily on competition problems, formal proofs, or artificially challenging questions -- failing to capture the nature of mathematics…

Artificial Intelligence · Computer Science 2025-10-21 Jie Zhang , Cezara Petrui , Kristina Nikolić , Florian Tramèr

Significant efforts has been made to expand the use of Large Language Models (LLMs) beyond basic language tasks. While the generalizability and versatility of LLMs have enabled widespread adoption, evolving demands in application…

Software Engineering · Computer Science 2024-11-20 Dawen Zhang , Xiwei Xu , Chen Wang , Zhenchang Xing , Robert Mao

The ubiquity and value of tables as semi-structured data across various domains necessitate advanced methods for understanding their complexity and vast amounts of information. Despite the impressive capabilities of large language models…

Computation and Language · Computer Science 2024-11-14 Deyi Ji , Lanyun Zhu , Siqi Gao , Peng Xu , Hongtao Lu , Jieping Ye , Feng Zhao

The development of machine learned potentials for catalyst discovery has predominantly been focused on very specific chemistries and material compositions. While effective in interpolating between available materials, these approaches…

Large language models (LLMs) have shown promising potential in scientific research, enabling tasks ranging from knowledge retrieval to property prediction. Existing science benchmarks mainly focus on perceptual or knowledge-based tasks,…

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