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Large Language Models (LLMs) have demonstrated strong performance across general NLP tasks, but their utility in automating numerical experiments of complex physical system -- a critical and labor-intensive component -- remains…

Computation and Language · Computer Science 2026-04-28 Nithin Somasekharan , Ling Yue , Yadi Cao , Weichao Li , Patrick Emami , Pochinapeddi Sai Bhargav , Anurag Acharya , Xingyu Xie , Shaowu Pan

Quantum computing has become increasingly practical in solving real-world problems due to advances in hardware and algorithms. In this paper, we aim to design and estimate quantum machine learning and hybrid quantum-classical models in a…

Quantum Physics · Physics 2025-07-14 Leyang Wang , Yilun Gong , Zongrui Pei

We introduce a benchmark framework developed by and for the scientific community to evaluate, monitor and steer large language model development in fundamental physics. Building on philosophical concepts of scientific understanding and…

Data Analysis, Statistics and Probability · Physics 2025-07-30 Kristian G. Barman , Sascha Caron , Faegheh Hasibi , Eugene Shalugin , Yoris Marcet , Johannes Otte , Henk W. de Regt , Merijn Moody

Computational models are an essential tool for the design, characterization, and discovery of novel materials. Hard computational tasks in materials science stretch the limits of existing high-performance supercomputing centers, consuming…

Quantum Physics · Physics 2024-09-20 Yuri Alexeev , Maximilian Amsler , Paul Baity , Marco Antonio Barroca , Sanzio Bassini , Torey Battelle , Daan Camps , David Casanova , Young Jai Choi , Frederic T. Chong , Charles Chung , Chris Codella , Antonio D. Corcoles , James Cruise , Alberto Di Meglio , Jonathan Dubois , Ivan Duran , Thomas Eckl , Sophia Economou , Stephan Eidenbenz , Bruce Elmegreen , Clyde Fare , Ismael Faro , Cristina Sanz Fernández , Rodrigo Neumann Barros Ferreira , Keisuke Fuji , Bryce Fuller , Laura Gagliardi , Giulia Galli , Jennifer R. Glick , Isacco Gobbi , Pranav Gokhale , Salvador de la Puente Gonzalez , Johannes Greiner , Bill Gropp , Michele Grossi , Emanuel Gull , Burns Healy , Benchen Huang , Travis S. Humble , Nobuyasu Ito , Artur F. Izmaylov , Ali Javadi-Abhari , Douglas Jennewein , Shantenu Jha , Liang Jiang , Barbara Jones , Wibe Albert de Jong , Petar Jurcevic , William Kirby , Stefan Kister , Masahiro Kitagawa , Joel Klassen , Katherine Klymko , Kwangwon Koh , Masaaki Kondo , Doga Murat Kurkcuoglu , Krzysztof Kurowski , Teodoro Laino , Ryan Landfield , Matt Leininger , Vicente Leyton-Ortega , Ang Li , Meifeng Lin , Junyu Liu , Nicolas Lorente , Andre Luckow , Simon Martiel , Francisco Martin-Fernandez , Margaret Martonosi , Claire Marvinney , Arcesio Castaneda Medina , Dirk Merten , Antonio Mezzacapo , Kristel Michielsen , Abhishek Mitra , Tushar Mittal , Kyungsun Moon , Joel Moore , Mario Motta , Young-Hye Na , Yunseong Nam , Prineha Narang , Yu-ya Ohnishi , Daniele Ottaviani , Matthew Otten , Scott Pakin , Vincent R. Pascuzzi , Ed Penault , Tomasz Piontek , Jed Pitera , Patrick Rall , Gokul Subramanian Ravi , Niall Robertson , Matteo Rossi , Piotr Rydlichowski , Hoon Ryu , Georgy Samsonidze , Mitsuhisa Sato , Nishant Saurabh , Vidushi Sharma , Kunal Sharma , Soyoung Shin , George Slessman , Mathias Steiner , Iskandar Sitdikov , In-Saeng Suh , Eric Switzer , Wei Tang , Joel Thompson , Synge Todo , Minh Tran , Dimitar Trenev , Christian Trott , Huan-Hsin Tseng , Esin Tureci , David García Valinas , Sofia Vallecorsa , Christopher Wever , Konrad Wojciechowski , Xiaodi Wu , Shinjae Yoo , Nobuyuki Yoshioka , Victor Wen-zhe Yu , Seiji Yunoki , Sergiy Zhuk , Dmitry Zubarev

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we…

Deep research agents powered by Large Language Models (LLMs) can perform multi-step reasoning, web exploration, and long-form report generation. However, most existing systems operate in an autonomous manner, assuming fully specified user…

Computation and Language · Computer Science 2026-01-13 Yingchaojie Feng , Qiang Huang , Xiaoya Xie , Zhaorui Yang , Jun Yu , Wei Chen , Anthony K. H. Tung

Large language models (LLMs) have shown potential in assisting scientific research, yet their ability to discover high-quality research hypotheses remains unexamined due to the lack of a dedicated benchmark. To address this gap, we…

Computation and Language · Computer Science 2026-04-21 Yujie Liu , Zonglin Yang , Tong Xie , Jinjie Ni , Ben Gao , Yuqiang Li , Shixiang Tang , Wanli Ouyang , Erik Cambria , Dongzhan Zhou

Powerful generative models have led to recent progress in question generation (QG). However, it is difficult to measure advances in QG research since there are no standardized resources that allow a uniform comparison among approaches. In…

Computation and Language · Computer Science 2023-01-03 Asahi Ushio , Fernando Alva-Manchego , Jose Camacho-Collados

While Large Language Models (LLMs) excel on standardized medical exams, high scores often fail to translate to high-quality responses for real-world medical queries. Current evaluations rely heavily on multiple-choice questions, failing to…

While AI systems have made remarkable progress in processing unstructured text, structured data such as graphs stored in databases, continues to grow rapidly yet remains difficult for neural models to effectively utilize. We introduce…

Databases · Computer Science 2026-03-09 Yufei Li , Yisen Gao , Jiaxin Bai , Jiaxuan Xiong , Haoyu Huang , Zhongwei Xie , Hong Ting Tsang , Yangqiu Song

Most machine learning models for materials science rely on descriptors based on materials compositions and structures, even though the chemical bond has been proven to be a valuable concept for predicting materials properties. Over the…

Existing benchmarks for multimodal memory reasoning largely evaluate systems within pre-assembled contexts, but under-evaluate whether agents can use evidence distributed across independently originated sources. We argue that…

Computation and Language · Computer Science 2026-05-18 Huacan Chai , Yukai Wang , Yingxuan Yang , Dan Peng , Yuanyi Song , Zhihui Fu , Weiwen Liu , Jianghao Lin , Jun Wang , Weinan Zhang

Recent advances in multimodal large language models (MLLMs) have accelerated progress in domain-oriented AI, yet their development in geoscience and remote sensing (RS) remains constrained by distinctive challenges: wide-ranging…

Computer Vision and Pattern Recognition · Computer Science 2026-04-13 Aoran Xiao , Shihao Cheng , Yonghao Xu , Yexian Ren , Hongruixuan Chen , Naoto Yokoya

Effective processing, interpretation, and management of sensor data have emerged as a critical component of cyber-physical systems. Traditionally, processing sensor data requires profound theoretical knowledge and proficiency in…

Artificial Intelligence · Computer Science 2025-04-01 Pengrui Quan , Xiaomin Ouyang , Jeya Vikranth Jeyakumar , Ziqi Wang , Yang Xing , Mani Srivastava

Question Answering (QA) effectively evaluates language models' reasoning and knowledge depth. While QA datasets are plentiful in areas like general domain and biomedicine, academic chemistry is less explored. Chemical QA plays a crucial…

Computation and Language · Computer Science 2024-07-25 Xiuying Chen , Tairan Wang , Taicheng Guo , Kehan Guo , Juexiao Zhou , Haoyang Li , Mingchen Zhuge , Jürgen Schmidhuber , Xin Gao , Xiangliang Zhang

Large Language Models (LLMs) have propelled groundbreaking advancements across several domains and are commonly used for text generation applications. However, the computational demands of these complex models pose significant challenges,…

A college-level benchmark dataset for large language models (LLMs) in the materials science field, MaterialBENCH, is constructed. This dataset consists of problem-answer pairs, based on university textbooks. There are two types of problems:…

Computation and Language · Computer Science 2024-12-02 Michiko Yoshitake , Yuta Suzuki , Ryo Igarashi , Yoshitaka Ushiku , Keisuke Nagato

Multimodal LLMs (MLLMs) are capable of performing complex data analysis, visual question answering, generation, and reasoning tasks. However, their ability to analyze biometric data is relatively underexplored. In this work, we investigate…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Ekta Gavas , Sudipta Banerjee , Chinmay Hegde , Nasir Memon

Quantum density matrix represents all the information of the entire quantum system, and novel models of meaning employing density matrices naturally model linguistic phenomena such as hyponymy and linguistic ambiguity, among others in…

Computation and Language · Computer Science 2024-03-14 X. Q. Zhao , T. L. Chen

Superconducting circuits have demonstrated significant potential in quantum information processing and quantum sensing. Implementing novel control and measurement sequences for superconducting qubits is often a complex and time-consuming…

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