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Molecular dynamics (MD) simulations play a crucial role in resolving the underlying conformational dynamics of molecular systems. However, their capability to correctly reproduce and predict dynamics in agreement with experiments is limited…

Chemical Physics · Physics 2025-05-19 Ivan Gilardoni , Valerio Piomponi , Thorben Fröhlking , Giovanni Bussi

Existing single-modal RGB trackers often face performance bottlenecks in complex dynamic scenes, while the introduction of event sensors offers new potential for enhancing tracking capabilities. However, most current RGB-event fusion…

Computer Vision and Pattern Recognition · Computer Science 2026-04-17 Jinlin You , Muyu Li , Xudong Zhao

Procuring expressive molecular representations underpins AI-driven molecule design and scientific discovery. The research mainly focuses on atom-level homogeneous molecular graphs, ignoring the rich information in subgraphs or motifs.…

Quantitative Methods · Quantitative Biology 2023-01-10 Fang Wu , Dragomir Radev , Stan Z. Li

Summary: TreeGrafter is a new software tool for annotating protein sequences using annotated phylogenetic trees. Cur-rently, the tool provides annotations to Gene Ontology terms, and PANTHER protein class, family and subfamily. The…

Quantitative Methods · Quantitative Biology 2018-02-22 Haiming Tang , Robert D Finn , Paul D Thomas

Foundation models (FMs) trained with different objectives and data learn diverse representations, making some more effective than others for specific downstream tasks. Existing adaptation strategies, such as parameter-efficient fine-tuning,…

Machine Learning · Computer Science 2025-12-02 Benjamin Ramtoula , Pierre-Yves Lajoie , Paul Newman , Daniele De Martini

The Genomic Foundation Model (GFM) paradigm is expected to facilitate the extraction of generalizable representations from massive genomic data, thereby enabling their application across a spectrum of downstream applications. Despite…

Genomics · Quantitative Biology 2024-06-06 Zicheng Liu , Jiahui Li , Siyuan Li , Zelin Zang , Cheng Tan , Yufei Huang , Yajing Bai , Stan Z. Li

The dynamic nature of Web data gives rise to a multitude of problems related to the identification, computation and management of the evolving versions and the related changes. In this paper, we consider the problem of change recognition in…

Databases · Computer Science 2015-01-13 Yannis Roussakis , Ioannis Chrysakis , Kostas Stefanidis , Giorgos Flouris , Yannis Stavrakas

DNA methylation is an intensely studied epigenetic mark implicated in many biological processes of direct clinical relevance. While sequencing based technologies are increasingly allowing high resolution measurements of DNA methylation,…

Quantitative Methods · Quantitative Biology 2014-10-27 Tom Mayo , Gabriele Schweikert , Guido Sanguinetti

External influences such as traffic and environmental factors induce vibrations in structures, leading to material degradation over time. These vibrations result in cracks due to the material's lack of plasticity compromising structural…

Machine Learning · Computer Science 2024-07-02 Melanie Schaller , Daniel Schlör , Andreas Hotho

Survival prediction plays a crucial role in assisting clinicians with the development of cancer treatment protocols. Recent evidence shows that multimodal data can help in the diagnosis of cancer disease and improve survival prediction.…

Image and Video Processing · Electrical Eng. & Systems 2023-11-14 Ruiquan Ge , Xiangyang Hu , Rungen Huang , Gangyong Jia , Yaqi Wang , Renshu Gu , Changmiao Wang , Elazab Ahmed , Linyan Wang , Juan Ye , Ye Li

The development of tabular foundation models (TFMs) has accelerated in recent years, showing strong potential to outperform traditional ML methods for structured data. A key finding is that TFMs can be pretrained entirely on synthetic…

Machine Learning · Computer Science 2025-12-04 Matthew Peroni , Franck Le , Vadim Sheinin

Understanding how protein mutations affect protein-nucleic acid binding is critical for unraveling disease mechanisms and advancing therapies. Current experimental approaches are laborious, and computational methods remain limited in…

Quantitative Methods · Quantitative Biology 2025-05-30 Xiang Liu , Junjie Wee , Guo-Wei Wei

Multifractal Detrended Fluctuation Analysis (MFDFA) is a powerful and widely used technique for characterizing the scaling properties and long-range correlations of complex time series. However, its application often involves significant…

Multiple instance learning (MIL) is the most widely used framework in computational pathology, encompassing sub-typing, diagnosis, prognosis, and more. However, the existing MIL paradigm typically requires an offline instance feature…

Computer Vision and Pattern Recognition · Computer Science 2024-07-26 Wenhao Tang , Fengtao Zhou , Sheng Huang , Xiang Zhu , Yi Zhang , Bo Liu

Prognostic signatures play an important role in clinical research, offering insights into the potential health outcomes of patients and guiding therapeutic decisions. Although single-gene prognostic biomarkers are valuable, multi-gene…

Quantitative Methods · Quantitative Biology 2023-11-15 Xu Zhang , Lei Chen

Predicting drug-target interaction (DTI) is critical in the drug discovery process. Despite remarkable advances in recent DTI models through the integration of representations from diverse drug and target encoders, such models often…

Quantitative Methods · Quantitative Biology 2025-09-30 Zhaohan Meng , Zaiqiao Meng , Ke Yuan , Iadh Ounis

Transcription factors (TFs) are key regulators of gene expression. Based on the classical scenario in which the TF search process switches between one-dimensional motion along the DNA molecule and free Brownian motion in the nucleus, we…

Genomics · Quantitative Biology 2010-10-15 Godefroy Malherbe , David Holcman

Vision transformers (ViTs) have recently been used for visual matching beyond object detection and segmentation. However, the original grid dividing strategy of ViTs neglects the spatial information of the keypoints, limiting the…

Computer Vision and Pattern Recognition · Computer Science 2023-12-15 Jinpei Guo , Shaofeng Zhang , Runzhong Wang , Chang Liu , Junchi Yan

We introduce software for reading, writing and processing fluorescence single-molecule and image spectroscopy data and developing analysis pipelines that unifies various spectroscopic analysis tools. Our software can be used for processing…

The advent of highly accurate protein structure prediction methods has fueled an exponential expansion of the protein structure database. Consequently, there is a rising demand for rapid and precise structural homolog search. Traditional…

Biomolecules · Quantitative Biology 2023-12-01 Yuan Liu , Hong-Bin Shen
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