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We introduce a framework suitable for describing pattern recognition task using the mathematical language of density matrices. In particular, we provide a one-to-one correspondence between patterns and pure density operators. This…

Large Language Models (LLMs) hold significant potential for advancing fact-checking by leveraging their capabilities in reasoning, evidence retrieval, and explanation generation. However, existing benchmarks fail to comprehensively evaluate…

Computation and Language · Computer Science 2025-06-17 Shuo Yang , Yuqin Dai , Guoqing Wang , Xinran Zheng , Jinfeng Xu , Jinze Li , Zhenzhe Ying , Weiqiang Wang , Edith C. H. Ngai

While large language models (LLMs) promise to revolutionize automated scientific discovery, their application in rigorous real-world physical research is stalled by two critical barriers: a lack of realistic evaluation benchmarks and…

Computational Physics · Physics 2026-05-12 Ken Deng , Xiangfei Wang , Guijing Duan , Chen Mo , Junkun Huang , Runqing Zhang , Ling Qian , Zhiguo Huang , Jize Han , Di Luo

Large Language Models (LLMs) are increasingly deployed as scientific AI as- sistants, and a growing body of benchmarks evaluates their capabilities across knowledge retrieval, reasoning, code generation, and tool use. These evaluations,…

We introduce a new molecular dataset, named Alchemy, for developing machine learning models useful in chemistry and material science. As of June 20th 2019, the dataset comprises of 12 quantum mechanical properties of 119,487 organic…

The rapid proliferation of large language models (LLMs) has stimulated researchers to seek effective and efficient approaches to deal with LLM hallucinations and low-quality outputs. Uncertainty quantification (UQ) is a key element of…

Multimodal Large Language Models (LLMs) hold promise for biomedical reasoning, but current benchmarks fail to capture the complexity of real-world clinical workflows. Existing evaluations primarily assess unimodal, decontextualized…

In contrast to their remarkable performance on general knowledge QA, the true abilities of Large Language Models (LLMs) in tasks demanding deep, specialized reasoning, such as in protein biology, have yet to be thoroughly investigated.…

Quantitative Methods · Quantitative Biology 2025-12-30 Dingyi Rong , Zijian Chen , Qi Jia , Kaiwei Zhang , Haotian Lu , Guangtao Zhai , Ning Liu

Answering questions within business and finance requires reasoning, precision, and a wide-breadth of technical knowledge. Together, these requirements make this domain difficult for large language models (LLMs). We introduce BizBench, a…

Computation and Language · Computer Science 2024-03-13 Rik Koncel-Kedziorski , Michael Krumdick , Viet Lai , Varshini Reddy , Charles Lovering , Chris Tanner

Large language models (LLMs) increasingly answer queries by citing web sources, but existing evaluations emphasize answer correctness rather than evidence quality. We introduce SourceBench, a benchmark for measuring the quality of cited web…

Artificial Intelligence · Computer Science 2026-02-20 Hexi Jin , Stephen Liu , Yuheng Li , Simran Malik , Yiying Zhang

Deep model fusion is an emerging technique that unifies the predictions or parameters of several deep neural networks into a single better-performing model in a cost-effective and data-efficient manner. Although a variety of deep model…

Machine Learning · Computer Science 2025-12-05 Anke Tang , Li Shen , Yong Luo , Enneng Yang , Han Hu , Lefei Zhang , Bo Du , Dacheng Tao

Breakthroughs in frontier theory often depend on the combination of concrete diagrammatic notations with rigorous logic. While multimodal large language models (MLLMs) show promise in general scientific tasks, current benchmarks often focus…

Artificial Intelligence · Computer Science 2026-04-07 Zeyu Wang , Xiaogang Li , Peiyao Xiao , Qinhao Kong , Ben Wang , Chengliang Xu , Zichao Chen , Bing Zhao , Hu Wei

Quantum machine learning (QML) is a computational paradigm that seeks to apply quantum-mechanical resources to solve learning problems. As such, the goal of this framework is to leverage quantum processors to tackle optimization,…

Quantum Physics · Physics 2025-11-21 Su Yeon Chang , M. Cerezo

The availability of large-scale datasets on which to train, benchmark and test algorithms has been central to the rapid development of machine learning as a discipline and its maturity as a research discipline. Despite considerable…

Quantum Physics · Physics 2021-08-17 Elija Perrier , Akram Youssry , Chris Ferrie

Quantum machine learning (QML) requires powerful, flexible and efficiently trainable models to be successful in solving challenging problems. We introduce density quantum neural networks, a model family that prepares mixtures of trainable…

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

Large language models (LLMs) are increasingly used as simulated participants in social science experiments, but their behavior is often unstable and highly sensitive to design choices. Prior evaluations frequently conflate base-model…

Artificial Intelligence · Computer Science 2026-02-03 Xuan Liu , Haoyang Shang , Zizhang Liu , Xinyan Liu , Yunze Xiao , Yiwen Tu , Haojian Jin

Multimodal large language models (MLLMs), which integrate language and visual cues for problem-solving, are crucial for advancing artificial general intelligence (AGI). However, current benchmarks for measuring the intelligence of MLLMs…

Understanding research papers remains challenging for foundation models due to specialized scientific discourse and complex figures and tables, yet existing benchmarks offer limited fine-grained evaluation at scale. To address this gap, we…

Computation and Language · Computer Science 2026-05-01 Yelin Chen , Fanjin Zhang , Suping Sun , Yunhe Pang , Yuanchun Wang , Jian Song , Xiaoyan Li , Lei Hou , Shu Zhao , Jie Tang , Juanzi Li

We introduce DRBench, a benchmark for evaluating AI agents on complex, open-ended deep research tasks in enterprise settings. Unlike prior benchmarks that focus on simple questions or web-only queries, DRBench evaluates agents on multi-step…