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Spectral embedding finds vector representations of the nodes of a network, based on the eigenvectors of a properly constructed matrix, and has found applications throughout science and technology. Many networks are multipartite, meaning…

Methodology · Statistics 2025-10-27 Alexander Modell , Ian Gallagher , Joshua Cape , Patrick Rubin-Delanchy

Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

Quantitative Methods · Quantitative Biology 2023-04-07 Xinye Xiong , Bingxin Zhou , Yu Guang Wang

Modern vision backbones for 3D medical imaging typically process dense voxel grids through parameter-heavy encoder-decoder structures, a design that allocates a significant portion of its parameters to spatial reconstruction rather than…

Recent advances in diffusion-based generative models have achieved remarkable visual fidelity, yet a detailed understanding of how specific perceptual attributes - such as color and shape - are internally represented remains limited. This…

Computer Vision and Pattern Recognition · Computer Science 2025-12-11 Guillem Arias , Ariadna Solà , Martí Armengod , Maria Vanrell

Proteins are fundamental biological entities mediating key roles in cellular function and disease. This paper introduces a multi-scale graph construction of a protein -- HoloProt -- connecting surface to structure and sequence. The surface…

Machine Learning · Computer Science 2022-04-06 Vignesh Ram Somnath , Charlotte Bunne , Andreas Krause

During developmental processes such as embryogenesis, how a group of cells fold into specific structures, is a central question in biology that defines how living organisms form. Establishing tissue-level morphology critically relies on how…

Soft Condensed Matter · Physics 2024-07-23 Haiqian Yang , Anh Q. Nguyen , Dapeng Bi , Markus J. Buehler , Ming Guo

The representations of neural networks are often compared to those of biological systems by performing regression between the neural network responses and those measured from biological systems. Many different state-of-the-art deep neural…

Neurons and Cognition · Quantitative Biology 2023-12-13 Abdulkadir Canatar , Jenelle Feather , Albert Wakhloo , SueYeon Chung

Molecular property prediction with deep learning has gained much attention over the past years. Owing to the scarcity of labeled molecules, there has been growing interest in self-supervised learning methods that learn generalizable…

Machine Learning · Computer Science 2023-09-04 Peizhen Bai , Xianyuan Liu , Haiping Lu

Gene regulatory networks (GRNs) are essential for understanding cell fate decisions and disease mechanisms, yet cross-species GRN inference from single-cell RNA-seq data remains challenging due to noise, sparsity, and cross-species…

Genomics · Quantitative Biology 2026-01-19 Shuai Yan , Qingzhi Yu , Wengfeng Dai , Xiang Cheng

Single-cell RNA sequencing (scRNA-seq) technology provides high-throughput gene expression data to study the cellular heterogeneity and dynamics of complex organisms. Graph neural networks (GNNs) have been widely used for automatic cell…

Machine Learning · Computer Science 2023-12-19 Rui Yang , Wenrui Dai , Chenglin Li , Junni Zou , Dapeng Wu , Hongkai Xiong

Transformer-based models have achieved remarkable success in natural language and vision tasks, but their application to gene expression analysis remains limited due to data sparsity, high dimensionality, and missing values. We present…

Machine Learning · Computer Science 2025-04-15 Shuai Jiang , Saeed Hassanpour

Single-cell foundation models learn by reconstructing masked gene expression, implicitly treating technical noise as signal. With dropout rates exceeding 90%, reconstruction objectives encourage models to encode measurement artifacts rather…

Computational Engineering, Finance, and Science · Computer Science 2026-02-03 Ali ElSheikh , Rui-Xi Wang , Weimin Wu , Yibo Wen , Payam Dibaeinia , Jennifer Yuntong Zhang , Jerry Yao-Chieh Hu , Mei Knudson , Sudarshan Babu , Shao-Hua Sun , Aly A. Khan , Han Liu

The development of single-cell and spatial transcriptomics has revolutionized our capacity to investigate cellular properties, functions, and interactions in both cellular and spatial contexts. However, the analysis of single-cell and…

Genomics · Quantitative Biology 2024-12-09 Shuang Ge , Shuqing Sun , Huan Xu , Qiang Cheng , Zhixiang Ren

In this study, we present an investigation into the anisotropy dynamics and intrinsic dimension of embeddings in transformer architectures, focusing on the dichotomy between encoders and decoders. Our findings reveal that the anisotropy…

Computation and Language · Computer Science 2024-02-27 Anton Razzhigaev , Matvey Mikhalchuk , Elizaveta Goncharova , Ivan Oseledets , Denis Dimitrov , Andrey Kuznetsov

Deep learning is changing many areas in molecular physics, and it has shown great potential to deliver new solutions to challenging molecular modeling problems. Along with this trend arises the increasing demand of expressive and versatile…

Machine Learning · Computer Science 2023-12-27 Jun Zhang , Yao-Kun Lei , Yaqiang Zhou , Yi Isaac Yang , Yi Qin Gao

Single-cell foundation models (scFMs) have demonstrated state-of-the-art performance on various tasks, such as cell-type annotation and perturbation response prediction, by learning gene regulatory networks from large-scale transcriptome…

Machine Learning · Computer Science 2025-09-19 Sosuke Hosokawa , Toshiharu Kawakami , Satoshi Kodera , Masamichi Ito , Norihiko Takeda

By folding into particular 3D structures, proteins play a key role in living beings. To learn meaningful representation from a protein structure for downstream tasks, not only the global backbone topology but the local fine-grained…

Biomolecules · Quantitative Biology 2025-02-05 Jiahan Li , Shitong Luo , Congyue Deng , Chaoran Cheng , Jiaqi Guan , Leonidas Guibas , Jian Peng , Jianzhu Ma

Decoder-only transformers lead to a step-change in capability of large language models. However, opinions are mixed as to whether they are really planning or reasoning. A path to making progress in this direction is to study the model's…

Machine Learning · Computer Science 2025-02-14 Andrew Cohen , Andrey Gromov , Kaiyu Yang , Yuandong Tian

Motivation. Cancer heterogeneity is observed at multiple biological levels. To improve our understanding of these differences and their relevance in medicine, approaches to link organ- and tissue-level information from diagnostic images and…

Quantitative Methods · Quantitative Biology 2020-05-19 Nova F. Smedley , Suzie El-Saden , William Hsu

Previous researches of sketches often considered sketches in pixel format and leveraged CNN based models in the sketch understanding. Fundamentally, a sketch is stored as a sequence of data points, a vector format representation, rather…

Computer Vision and Pattern Recognition · Computer Science 2020-05-20 Hangyu Lin , Yanwei Fu , Yu-Gang Jiang , Xiangyang Xue