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Large Language Models (LLMs) such as ChatGPT demonstrate significant potential in the medical domain and are often evaluated using multiple-choice questions (MCQs) modeled on exams like the USMLE. However, such benchmarks may overestimate…

Computation and Language · Computer Science 2025-08-22 Maxime Griot , Jean Vanderdonckt , Demet Yuksel , Coralie Hemptinne

Neuro-oncology poses unique challenges for machine learning due to heterogeneous data and tumor complexity, limiting the ability of foundation models (FMs) to generalize across cohorts. Existing FMs also perform poorly in predicting…

Computer Vision and Pattern Recognition · Computer Science 2025-09-22 Moinak Bhattacharya , Angelica P. Kurtz , Fabio M. Iwamoto , Prateek Prasanna , Gagandeep Singh

Atomized chemical knowledge, such as functional group information of molecules and reactions, plays a pivotal intermediate role in the reasoning process that connects molecular structures with their properties and reactivities. While large…

Computational Engineering, Finance, and Science · Computer Science 2026-04-15 Zihan Zhao , Ziping Wan , Lu Chen , Xuanze Lin , Shiyang Yu , Situo Zhang , Da Ma , Zichen Zhu , Danyang Zhang , Huayang Wang , Zhongyang Dai , Liyang Wen , Bo Chen , Xin Chen , Kai Yu

Despite significant advances in large language models (LLMs), their knowledge memorization capabilities remain underexplored, due to the lack of standardized and high-quality test ground. In this paper, we introduce a novel, real-world and…

Computation and Language · Computer Science 2025-05-20 Yuwei Zhang , Wenhao Yu , Shangbin Feng , Yifan Zhu , Letian Peng , Jayanth Srinivasa , Gaowen Liu , Jingbo Shang

An automated knowledge modeling algorithm for Cancer Clinical Practice Guidelines (CPGs) extracts the knowledge contained in the CPG documents and transforms it into a programmatically interactable, easy-to-update structured model with…

Computation and Language · Computer Science 2024-08-01 Pralaypati Ta , Bhumika Gupta , Arihant Jain , Sneha Sree C , Keerthi Ram , Mohanasankar Sivaprakasam

We propose a new molecular simulation framework that combines the transferability, robustness and chemical flexibility of an ab initio method with the accuracy and efficiency of a machine learned force field. The key to achieve this mix is…

Computational Physics · Physics 2020-01-08 Sebastian Dick , Marivi Fernandez-Serra

Pathology foundation models (PFMs) have recently emerged as powerful pretrained encoders for computational pathology, enabling transfer learning across a wide range of downstream tasks. However, systematic comparisons of these models for…

Computer Vision and Pattern Recognition · Computer Science 2026-04-28 Fredrik K. Gustafsson , Constance Boissin , Johan Vallon-Christersson , David A. Clifton , Mattias Rantalainen

Computational pathology, which involves analyzing whole slide images for automated cancer diagnosis, relies on multiple instance learning, where performance depends heavily on the feature extractor and aggregator. Recent Pathology…

Computer Vision and Pattern Recognition · Computer Science 2025-05-22 Conghao Xiong , Hao Chen , Joseph J. Y. Sung

The recent proliferation of large language models (LLMs) holds the potential to revolutionize healthcare, with strong capabilities in diverse medical tasks. Yet, deploying LLMs in high-stakes healthcare settings requires rigorous…

Machine Learning · Computer Science 2025-12-22 Shasha Zhou , Mingyu Huang , Jack Cole , Charles Britton , Ming Yin , Jan Wolber , Ke Li

Large Language Models (LLMs) have demonstrated remarkable success in diverse natural language processing (NLP) tasks in general domains. However, LLMs sometimes generate responses with the hallucination about medical facts due to limited…

Computation and Language · Computer Science 2025-01-14 Haochun Wang , Sendong Zhao , Zewen Qiang , Zijian Li , Nuwa Xi , Yanrui Du , MuZhen Cai , Haoqiang Guo , Yuhan Chen , Haoming Xu , Bing Qin , Ting Liu

An accurate description of information is relevant for a range of problems in atomistic machine learning (ML), such as crafting training sets, performing uncertainty quantification (UQ), or extracting physical insights from large datasets.…

Materials Science · Physics 2025-05-02 Daniel Schwalbe-Koda , Sebastien Hamel , Babak Sadigh , Fei Zhou , Vincenzo Lordi

Atomic basis sets are widely employed within quantum mechanics based simulations of matter. We introduce a machine learning model that adapts the basis set to the local chemical environment of each atom, prior to the start of self…

Chemical Physics · Physics 2024-04-29 Danish Khan , Maximilian L. Ach , O. Anatole von Lilienfeld

We present MedConceptsQA, a dedicated open source benchmark for medical concepts question answering. The benchmark comprises of questions of various medical concepts across different vocabularies: diagnoses, procedures, and drugs. The…

Computation and Language · Computer Science 2024-05-15 Ofir Ben Shoham , Nadav Rappoport

Foundation models (FMs), such as GPT-4 and AlphaFold, are reshaping the landscape of scientific research. Beyond accelerating tasks such as hypothesis generation, experimental design, and result interpretation, they prompt a more…

Machine Learning · Computer Science 2025-10-20 Fan Liu , Jindong Han , Tengfei Lyu , Weijia Zhang , Zhe-Rui Yang , Lu Dai , Cancheng Liu , Hao Liu

This survey explores the transformative impact of foundation models (FMs) in artificial intelligence, focusing on their integration with federated learning (FL) for advancing biomedical research. Foundation models such as ChatGPT, LLaMa,…

Machine Learning · Computer Science 2024-05-14 Xingyu Li , Lu Peng , Yuping Wang , Weihua Zhang

Smart-home sensor data holds significant potential for several applications, including healthcare monitoring and assistive technologies. Existing approaches, however, face critical limitations. Supervised models require impractical amounts…

Artificial Intelligence · Computer Science 2026-02-03 Michele Fiori , Gabriele Civitarese , Flora D. Salim , Claudio Bettini

Recent work has aimed to improve LLM generations by filtering out hallucinations, thereby improving the precision of the information in responses. Correctness of a long-form response, however, also depends on the recall of multiple pieces…

Computation and Language · Computer Science 2024-05-24 Raghuveer Thirukovalluru , Yukun Huang , Bhuwan Dhingra

Standard factuality evaluations of LLMs treat all errors alike, obscuring whether failures arise from missing knowledge (empty shelves) or from limited access to encoded facts (lost keys). We propose a behavioral framework that profiles…

Computation and Language · Computer Science 2026-02-17 Nitay Calderon , Eyal Ben-David , Zorik Gekhman , Eran Ofek , Gal Yona

Clinical problem-solving requires processing of semantic medical knowledge such as illness scripts and numerical medical knowledge of diagnostic tests for evidence-based decision-making. As large language models (LLMs) show promising…

Extracting structured information from clinical notes requires navigating a dense web of interdependent variables where the value of one attribute logically constrains others. Existing Large Language Model (LLM)-based extraction pipelines…