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Single molecule time traces reveal the time evolution of unsynchronized kinetic systems. Especially single molecule F\"orster resonance energy transfer (smFRET) provides access to enzymatically important timescales, combined with molecular…

Quantitative Methods · Quantitative Biology 2018-01-17 Sonja Schmid , Thorsten Hugel

Large language models (LLMs) are increasingly applied in scientific research, offering new capabilities for knowledge discovery and reasoning. In single-cell biology, however, evaluation practices for both general and specialized LLMs…

Artificial Intelligence · Computer Science 2026-02-27 Jiahao Zhao , Feng Jiang , Shaowei Qin , Zhonghui Zhang , Junhao Liu , Guibing Guo , Hamid Alinejad-Rokny , Min Yang

Multiple instance learning is an ideal mode of analysis for histopathology data, where vast whole slide images are typically annotated with a single global label. In such cases, a whole slide image is modelled as a collection of tissue…

Computer Vision and Pattern Recognition · Computer Science 2023-06-29 Leo Fillioux , Joseph Boyd , Maria Vakalopoulou , Paul-Henry Cournède , Stergios Christodoulidis

Although large multimodal models (LMMs) have demonstrated remarkable capabilities in visual scene interpretation and reasoning, their capacity for complex and precise 3-dimensional spatial reasoning remains uncertain. Existing benchmarks…

Computer Vision and Pattern Recognition · Computer Science 2025-10-20 Xingrui Wang , Wufei Ma , Tiezheng Zhang , Celso M de Melo , Jieneng Chen , Alan Yuille

The number of Language Models (LMs) dedicated to processing scientific text is on the rise. Keeping pace with the rapid growth of scientific LMs (SciLMs) has become a daunting task for researchers. To date, no comprehensive surveys on…

Computation and Language · Computer Science 2024-02-01 Xanh Ho , Anh Khoa Duong Nguyen , An Tuan Dao , Junfeng Jiang , Yuki Chida , Kaito Sugimoto , Huy Quoc To , Florian Boudin , Akiko Aizawa

Markov state models (MSMs) have been widely used to analyze computer simulations of various biomolecular systems. They can capture conformational transitions much slower than an average or maximal length of a single molecular dynamics (MD)…

Biomolecules · Quantitative Biology 2018-02-14 Anton V. Sinitskiy , Vijay S. Pande

Recent studies have demonstrated the feasibility of modeling single-cell data as natural languages and the potential of leveraging powerful large language models (LLMs) for understanding cell biology. However, a comprehensive evaluation of…

Quantitative Methods · Quantitative Biology 2025-05-14 Fan Zhang , Tianyu Liu , Zhihong Zhu , Hao Wu , Haixin Wang , Donghao Zhou , Yefeng Zheng , Kun Wang , Xian Wu , Pheng-Ann Heng

Semiparametric language models (LMs) have shown promise in continuously learning from new text data by combining a parameterized neural LM with a growable non-parametric memory for memorizing new content. However, conventional…

Computation and Language · Computer Science 2023-03-03 Guangyue Peng , Tao Ge , Si-Qing Chen , Furu Wei , Houfeng Wang

Foundational models have significantly advanced in natural language processing (NLP) and computer vision (CV), with the Transformer architecture becoming a standard backbone. However, the Transformer's quadratic complexity poses challenges…

Computer Vision and Pattern Recognition · Computer Science 2024-05-28 Lv Tang , HaoKe Xiao , Peng-Tao Jiang , Hao Zhang , Jinwei Chen , Bo Li

The ability to maintain and manipulate information over time is a fundamental aspect of living beings and Artificial Intelligence. While modern models have achieved remarkable success in tasks like natural language processing, evaluating…

Artificial Intelligence · Computer Science 2026-05-20 Yannis Bendi-Ouis , Romain de Coudenhove , Xavier Hinaut

Quantum-accurate computer simulations play a central role in understanding phase-change materials (PCMs) for advanced memory technologies. However, direct quantum-mechanical simulations are necessarily limited to simplified models,…

Materials Science · Physics 2022-09-20 Yuxing Zhou , Wei Zhang , En Ma , Volker L. Deringer

State space models (SSMs) have recently shown promising results on small-scale sequence and language modelling tasks, rivalling and outperforming many attention-based approaches. In this paper, we propose a multi-head state space (MH-SSM)…

Audio and Speech Processing · Electrical Eng. & Systems 2023-05-29 Yassir Fathullah , Chunyang Wu , Yuan Shangguan , Junteng Jia , Wenhan Xiong , Jay Mahadeokar , Chunxi Liu , Yangyang Shi , Ozlem Kalinli , Mike Seltzer , Mark J. F. Gales

Single-molecule force spectroscopy (smFS) is a powerful approach to studying molecular self-organization. However, the coupling of the molecule with the ever-present experimental device introduces artifacts, that complicates the…

Chemical Physics · Physics 2023-04-25 Lars Dingeldein , Pilar Cossio , Roberto Covino

Recent efforts to survey the numerous softwares available to perform single molecule tracking (SMT) highlighted a significant dependence of the outcomes on the specific method used, and the limitation encountered by most techniques to…

Quantitative Methods · Quantitative Biology 2019-07-26 Carmine di Rienzo , Paolo Annibale

Understanding the structure of supramolecular complexes provides insight into their functional capabilities and how they can be modulated in the context of disease. Super-resolution microscopy (SRM) excels in performing this task by…

Quantitative Methods · Quantitative Biology 2023-08-09 Afonso Mendes , Hannah S. Heil , Simao Coelho , Christophe Leterrier , Ricardo Henriques

Large Language models (LLMs) have emerged as powerful tools for addressing challenges across diverse domains. Notably, recent studies have demonstrated that large language models significantly enhance the efficiency of biomolecular analysis…

Computation and Language · Computer Science 2025-03-07 Jiyue Jiang , Zikang Wang , Yuheng Shan , Heyan Chai , Jiayi Li , Zixian Ma , Xinrui Zhang , Yu Li

The Continuous-Time Hidden Markov Model (CT-HMM) is an attractive approach to modeling disease progression due to its ability to describe noisy observations arriving irregularly in time. However, the lack of an efficient parameter learning…

State Space Models (SSMs) have emerged as powerful architectures in computer vision, yet improving their computational efficiency remains crucial for practical and scalable deployment.While token reduction serves as an effective approach…

Computer Vision and Pattern Recognition · Computer Science 2025-08-20 Jinyoung Park , Minseok Son , Changick Kim

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

Molecular dynamics (MD) is a powerful approach for modelling molecular systems, but it remains computationally intensive on spatial and time scales of many macromolecular systems of biological interest. To explore the opportunities offered…

Biomolecules · Quantitative Biology 2025-08-07 Mhd Hussein Murtada , Z. Faidon Brotzakis , Michele Vendruscolo