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The substantial data volumes encountered in modern particle physics and other domains of fundamental physics research allow (and require) the use of increasingly complex data analysis tools and workflows. While the use of machine learning…

High Energy Physics - Phenomenology · Physics 2026-02-18 Sascha Diefenbacher , Anna Hallin , Gregor Kasieczka , Michael Krämer , Anne Lauscher , Tim Lukas

The emergence of agent-based systems represents a significant advancement in artificial intelligence, with growing applications in automated data extraction. However, chemical information extraction remains a formidable challenge due to the…

Machine learning is transforming materials discovery by providing rapid predictions of material properties, which enables large-scale screening for target materials. However, such models require training data. While automated data…

Data-driven artificial intelligence (AI) approaches are fundamentally transforming the discovery of new materials. Despite the unprecedented availability of materials data in the scientific literature, much of this information remains…

Artificial Intelligence · Computer Science 2026-01-29 Di Zhang , Xue Jia , Tran Ba Hung , Seong Hoon Jang , Linda Zhang , Ryuhei Sato , Yusuke Hashimoto , Toyoto Sato , Kiyoe Konno , Shin-ichi Orimo , Hao Li

In this work, we first perform a systematic search for high-efficiency three-dimensional (3D) and two-dimensional (2D) thermoelectric materials by combining semiclassical transport techniques with density functional theory (DFT)…

Materials Science · Physics 2020-10-28 Kamal Choudhary , Kevin Garrity , Francesca Tavazza

Large language models (LLMs) have recently been used to empower autonomous agents in engineering, significantly improving automation and efficiency in labor-intensive workflows. However, their potential remains underexplored in structural…

Computation and Language · Computer Science 2025-10-08 Ziheng Geng , Jiachen Liu , Ran Cao , Lu Cheng , Haifeng Wang , Minghui Cheng

Thermoelectric (TE) materials are among very few sustainable yet feasible energy solutions of present time. This huge promise of energy harvesting is contingent on identifying/designing materials having higher efficiency than presently…

LLM-based tool agents offer natural language interfaces, enabling users to seamlessly interact with computing services. While REST APIs are valuable resources for building such agents, they must first be transformed into AI-compatible…

Machine Learning · Computer Science 2025-01-29 Xinyi Ni , Qiuyang Wang , Yukun Zhang , Pengyu Hong

New discoveries in chemistry and materials science, with increasingly expanding volume of requisite knowledge and experimental workload, provide unique opportunities for machine learning (ML) to take critical roles in accelerating research…

To retrieve and compare scientific data of simulations and experiments in materials science, data needs to be easily accessible and machine readable to qualify and quantify various materials science phenomena. The recent progress in open…

Materials Science · Physics 2025-03-25 Balduin Katzer , Steffen Klinder , Katrin Schulz

E-commerce platforms require structured product data in the form of attribute-value pairs to offer features such as faceted product search or attribute-based product comparison. However, vendors often provide unstructured product…

Computation and Language · Computer Science 2024-09-23 Alexander Brinkmann , Roee Shraga , Christian Bizer

Predictive models in biomedicine depend on structured assay data locked in the text, tables, and supplements of primary publications. This bottleneck is especially acute in targeted protein degradation (TPD), where each assay record must…

Quantitative Methods · Quantitative Biology 2026-05-13 Yaochen Rao , Farzaneh Jalalypour , N. M. Anoop Krishnan , Rocío Mercado

Modern engineering increasingly relies on vast datasets generated by experiments and simulations, driving a growing demand for efficient, reliable, and broadly applicable modeling strategies. There is also heightened interest in developing…

Artificial Intelligence · Computer Science 2025-10-03 Yang Liu , Zaid Abulawi , Abhiram Garimidi , Doyeong Lim

Early-stage specifications of safety-critical systems are typically expressed in natural language, making it difficult to derive formal properties suitable for verification and needed to guarantee safety. While recent Large Language Model…

Software Engineering · Computer Science 2026-04-21 Alberto Tagliaferro , Bruno Guindani , Livia Lestingi , Matteo Rossi

In response to the urban heat island effects and building energy demands in Singapore, this study proposes an agentic AI-enabled reasoning framework that integrates large language models (LLMs) with lightweight physics-based models. Through…

Multiagent Systems · Computer Science 2026-04-24 Po-Yen Lai , Xinyu Yang , Derrick Low , Huizhe Liu , Jian Cheng Wong

We present the first implementation of AI agents into the design and optimization of detectors in high-energy physics experiments via a bilevel optimization framework that vertically integrates detector geometry, front-end digitization, and…

Instrumentation and Detectors · Physics 2026-04-24 Wonyong Chung , Qibin Liu , Liangyu Wu , Julia Gonski

The amount of data has growing significance in exploring cutting-edge materials and a number of datasets have been generated either by hand or automated approaches. However, the materials science field struggles to effectively utilize the…

Computation and Language · Computer Science 2023-04-13 Tong Xie , Yuwei Wan , Wei Huang , Yufei Zhou , Yixuan Liu , Qingyuan Linghu , Shaozhou Wang , Chunyu Kit , Clara Grazian , Wenjie Zhang , Bram Hoex

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

This paper describes a rapid feasibility study of using GPT-4, a large language model (LLM), to (semi)automate data extraction in systematic reviews. Despite the recent surge of interest in LLMs there is still a lack of understanding of how…

Computation and Language · Computer Science 2025-02-14 Lena Schmidt , Kaitlyn Hair , Sergio Graziosi , Fiona Campbell , Claudia Kapp , Alireza Khanteymoori , Dawn Craig , Mark Engelbert , James Thomas

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