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Predicting stable and metastable structures is central to molecular and materials discovery, but remains limited by the cost of searching high-dimensional energy landscapes. Deep generative models offer efficient structure sampling, yet…

Artificial Intelligence · Computer Science 2026-05-26 Yifang Qin , Yu Shi , Junfu Tan , Chang Liu , Ming Zhang , Ziheng Lu

Reconstructing the tree of life from molecular sequences is a fundamental problem in computational biology. Modern data sets often contain a large number of genes, which can complicate the reconstruction problem due to the fact that…

Probability · Mathematics 2017-07-21 Constantinos Daskalakis , Sebastien Roch

Understanding how the collective activity of neural populations relates to computation and ultimately behavior is a key goal in neuroscience. To this end, statistical methods which describe high-dimensional neural time series in terms of…

Neurons and Cognition · Quantitative Biology 2025-01-14 Amber Hu , David Zoltowski , Aditya Nair , David Anderson , Lea Duncker , Scott Linderman

Motivated by the need for computationally tractable spatial methods in neuroimaging studies, we develop a distributed and integrated framework for estimation and inference of Gaussian process model parameters with ultra-high-dimensional…

Methodology · Statistics 2024-02-09 Emily C. Hector , Brian J. Reich , Ani Eloyan

P-splines provide a flexible setting for modeling nonlinear model components based on a discretized penalty structure with a relatively simple computational backbone. Under a Bayesian inferential framework based on Markov chain Monte Carlo,…

Methodology · Statistics 2025-11-03 Oswaldo Gressani , Paul H. C. Eilers

International initiatives such as METABRIC (Molecular Taxonomy of Breast Cancer International Consortium) have collected several multigenomic and clinical data sets to identify the undergoing molecular processes taking place throughout the…

Machine Learning · Computer Science 2022-11-29 Teodora Reu

Multimodal survival methods combining gigapixel histology whole-slide images (WSIs) and transcriptomic profiles are particularly promising for patient prognostication and stratification. Current approaches involve tokenizing the WSIs into…

Computer Vision and Pattern Recognition · Computer Science 2024-07-02 Andrew H. Song , Richard J. Chen , Guillaume Jaume , Anurag J. Vaidya , Alexander S. Baras , Faisal Mahmood

Gaussian processes (GPs) are powerful but computationally expensive machine learning models, requiring an estimate of the kernel covariance matrix for every prediction. In large and complex domains, such as graphs, sets, or images, the…

Machine Learning · Computer Science 2022-04-22 Alessandro Tibo , Thomas Dyhre Nielsen

This paper presents a novel sampling scheme for masked non-autoregressive generative modeling. We identify the limitations of TimeVQVAE, MaskGIT, and Token-Critic in their sampling processes, and propose Enhanced Sampling Scheme (ESS) to…

Machine Learning · Computer Science 2023-09-18 Daesoo Lee , Erlend Aune , Sara Malacarne

Motivation: Gene set testing is typically performed in a supervised context to quantify the association between groups of genes and a clinical phenotype. In many cases, however, a gene set-based interpretation of genomic data is desired in…

Quantitative Methods · Quantitative Biology 2015-03-17 H. Robert Frost , Zhigang Li , Jason H. Moore

In signal processing and data recovery, reconstructing a signal from quadratic measurements poses a significant challenge, particularly in high-dimensional settings where measurements $m$ is far less than the signal dimension $n$ (i.e., $m…

Information Theory · Computer Science 2025-07-11 Jinming Wen , Yi Hu , Meng Huang

Motivation: Networks underlie the generation and interpretation of many biological datasets: gene networks shed light on the regulatory structure of the genome, and cell networks can capture structure of the tumor micro-environment.…

Machine Learning · Statistics 2026-03-18 Bailey Andrew , Erica L. Harris , James A. Poulter , David R. Westhead , Luisa Cutillo

Previous electroencephalogram (EEG) emotion recognition relies on single-task learning, which may lead to overfitting and learned emotion features lacking generalization. In this paper, a graph-based multi-task self-supervised learning…

Signal Processing · Electrical Eng. & Systems 2022-05-03 Yang Li , Ji Chen , Fu Li , Boxun Fu , Hao Wu , Youshuo Ji , Yijin Zhou , Yi Niu , Guangming Shi , Wenming Zheng

The histopathological analysis of whole-slide images (WSIs) is fundamental to cancer diagnosis but is a time-consuming and expert-driven process. While deep learning methods show promising results, dominant patch-based methods artificially…

Image and Video Processing · Electrical Eng. & Systems 2025-10-08 Alexander Weers , Alexander H. Berger , Laurin Lux , Peter Schüffler , Daniel Rueckert , Johannes C. Paetzold

Graph Contrastive Learning (GCL) is a powerful self-supervised learning framework that performs data augmentation through graph perturbations, with growing applications in the analysis of biological networks such as Gene Regulatory Networks…

Machine Learning · Computer Science 2026-02-20 Sho Oshima , Yuji Okamoto , Taisei Tosaki , Ryosuke Kojima

Deep learning-based image reconstruction approaches have demonstrated impressive empirical performance in many imaging modalities. These approaches usually require a large amount of high-quality paired training data, which is often not…

Image and Video Processing · Electrical Eng. & Systems 2022-09-21 Riccardo Barbano , Zeljko Kereta , Andreas Hauptmann , Simon R. Arridge , Bangti Jin

This work designs a novel semantic communication (SemCom) framework for the next-generation wireless network to tackle the challenges of unnecessary transmission of vast amounts that cause high bandwidth consumption, more latency, and…

Networking and Internet Architecture · Computer Science 2023-10-16 Avi Deb Raha , Md. Shirajum Munir , Apurba Adhikary , Yu Qiao , Choong Seon Hong

RNA sequencing (RNA-seq) is the conventional genome-scale approach used to capture the expression levels of all detectable genes in a biological sample. This is now regularly used for population-based studies designed to identify genetic…

Genomics · Quantitative Biology 2026-05-25 Christopher Thron , Farhad Jafari

Generative Bayesian Computation (GBC) methods are developed for Casual Inference. Generative methods are simulation-based methods that use a large training dataset to represent posterior distributions as a map (a.k.a. optimal transport) to…

Methodology · Statistics 2024-12-25 Maria Nareklishvili , Nicholas Polson , Vadim Sokolov

We propose an efficient novel path sampling-based framework designed to accelerate the investigation of rare events in complex molecular systems. A key innovation is the shift from sampling restricted path ensemble distributions, as in…

Chemical Physics · Physics 2025-03-28 Gianmarco Lazzeri , Peter G. Bolhuis , Roberto Covino