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Machine-learned coarse-grained (CG) potentials are fast, but degrade over time when simulations reach under-sampled bio-molecular conformations, and generating widespread all-atom (AA) data to combat this is computationally infeasible. We…

Machine Learning · Computer Science 2026-05-29 Kevin Bachelor , Sanya Murdeshwar , Daniel Sabo , Razvan Marinescu

Cross-modal MRI segmentation is of great value for computer-aided medical diagnosis, enabling flexible data acquisition and model generalization. However, most existing methods have difficulty in handling local variations in domain shift…

Computer Vision and Pattern Recognition · Computer Science 2023-11-17 Bingnan Li , Zhitong Gao , Xuming He

Here we present a versatile foundation model that can perform a range of clinically-relevant image analysis tasks, including segmentation, landmark localisation, diagnosis, and prognostication. A multi-view convolution-transformer masked…

Image and Video Processing · Electrical Eng. & Systems 2025-09-03 Yunguan Fu , Wenjia Bai , Weixi Yi , Charlotte Manisty , Anish N Bhuva , Thomas A Treibel , James C Moon , Matthew J Clarkson , Rhodri Huw Davies , Yipeng Hu

Foundation models pretrained on large-scale histopathology data have found great success in various fields of computational pathology, but their impact on regressive biomarker prediction remains underexplored. In this work, we…

Computer Vision and Pattern Recognition · Computer Science 2026-02-06 Alexander Blezinger , Wolfgang Nejdl , Ming Tang

Predicting the secondary structure of RNA is a core challenge in computational biology, essential for understanding molecular function and designing novel therapeutics. The field has evolved from foundational but accuracy-limited…

Biomolecules · Quantitative Biology 2026-05-20 Giuseppe Sacco , Giovanni Bussi , Guido Sanguinetti

Existing foundation models (FMs) in the medical domain often require extensive fine-tuning or rely on training resource-intensive decoders, while many existing encoders are pretrained with objectives biased toward specific tasks. This…

Computer Vision and Pattern Recognition · Computer Science 2025-12-02 Tim Veenboer , George Yiasemis , Eric Marcus , Vivien Van Veldhuizen , Cees G. M. Snoek , Jonas Teuwen , Kevin B. W. Groot Lipman

Delays in protein synthesis cause a confounding effect when constructing Gene Regulatory Networks (GRNs) from RNA-sequencing time-series data. Accurate GRNs can be very insightful when modelling development, disease pathways, and drug…

Molecular Networks · Quantitative Biology 2020-10-07 Jacob Moss , Pietro Lió

Discovering distinct features and their relations from data can help us uncover valuable knowledge crucial for various tasks, e.g., classification. In neuroimaging, these features could help to understand, classify, and possibly prevent…

Machine Learning · Computer Science 2022-02-15 Usman Mahmood , Zening Fu , Vince Calhoun , Sergey Plis

With access to large-scale, unlabeled medical datasets, researchers are confronted with two questions: Should they attempt to pretrain a custom foundation model on this medical data, or use transfer-learning from an existing generalist…

Computer Vision and Pattern Recognition · Computer Science 2025-06-25 Jakob Ambsdorf , Asbjørn Munk , Sebastian Llambias , Anders Nymark Christensen , Kamil Mikolaj , Randall Balestriero , Martin Tolsgaard , Aasa Feragen , Mads Nielsen

The baseline level of transcription, which is variable and difficult to quantify, seriously complicates the normalization of comparative transcriptomic data, but its biological importance remains unappreciated. We show that this currently…

Molecular Networks · Quantitative Biology 2022-07-26 Gilles Flouriot , Charly Jehanno , Yann Le Page , Pascale Le Goff , Benjamin Boutin , Denis Michel

Foundation models for computational pathology are expected to facilitate the development of high-performing, generalisable deep learning systems. However, in addition to biologically relevant features, current foundation models also capture…

Molecular activity prediction is critical in drug design. Machine learning techniques such as kernel methods and random forests have been successful for this task. These models require fixed-size feature vectors as input while the molecules…

Machine Learning · Computer Science 2018-01-30 Trang Pham , Truyen Tran , Svetha Venkatesh

Significant progress in reward modeling over recent years has been driven by a paradigm shift from task-specific designs towards generalist reward models. Despite this trend, developing effective reward models remains a fundamental…

Computation and Language · Computer Science 2025-11-18 Chenglong Wang , Yongyu Mu , Hang Zhou , Yifu Huo , Ziming Zhu , Jiali Zeng , Murun Yang , Bei Li , Xiaoyang Hao , Chunliang Zhang , Fandong Meng , Jingbo Zhu , Tong Xiao

A salient feature of prefrontal cortex organization is the vast diversity of cell types that support the temporal integration of events required for sculpting future responses. A major obstacle in understanding the routing of information…

Neurons and Cognition · Quantitative Biology 2012-04-04 Michael V. Baratta , Shinya Nakamura , Peter Dobelis , Matthew B. Pomrenze , Samuel D. Dolzani , Donald C. Cooper

Foundation models for tabular data, like TabPFN, achieve strong performance on small datasets when pre-trained solely on synthetic data. We show that this performance can be significantly boosted by a targeted continued pre-training phase.…

Machine Learning · Computer Science 2025-07-08 Anurag Garg , Muhammad Ali , Noah Hollmann , Lennart Purucker , Samuel Müller , Frank Hutter

As the potential of foundation models in visual tasks has garnered significant attention, pretraining these models before downstream tasks has become a crucial step. The three key factors in pretraining foundation models are the pretraining…

Computer Vision and Pattern Recognition · Computer Science 2024-08-13 Keumgang Cha , Junghoon Seo , Taekyung Lee

Incorporation of prior knowledge about organ shape and location is key to improve performance of image analysis approaches. In particular, priors can be useful in cases where images are corrupted and contain artefacts due to limitations in…

Recent advances in protein function prediction exploit graph-based deep learning approaches to correlate the structural and topological features of proteins with their molecular functions. However, proteins in vivo are not static but…

Biomolecules · Quantitative Biology 2022-11-22 Yuan Chiang , Wei-Han Hui , Shu-Wei Chang

Deep convolutional neural networks have achieved great success in various applications. However, training an effective DNN model for a specific task is rather challenging because it requires a prior knowledge or experience to design the…

Machine Learning · Computer Science 2018-06-06 Sheng-Jun Huang , Jia-Wei Zhao , Zhao-Yang Liu

With the success of large-scale pre-training in language tasks, there is an increasing trend of applying it to the domain of life sciences. In particular, pre-training methods based on DNA sequences have received increasing attention…

Artificial Intelligence · Computer Science 2024-09-10 Chaoqi Liang , Lifeng Qiao , Peng Ye , Nanqing Dong , Jianle Sun , Weiqiang Bai , Yuchen Ren , Xinzhu Ma , Hongliang Yan , Chunfeng Song , Wanli Ouyang , Wangmeng Zuo
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