variational autoencoder
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636 papers
ProT-VAE: Protein Transformer Variational AutoEncoder for Functional Protein Design
Emre Sevgen, Joshua Moller, Adrian Lange, John Parker, Sean D. Quigley, Jeff Mayer, Poonam Srivastava, Sitaram Gayatri, David J. Hosfield, Clayton M. Dilks, Claire M. Buchanan, Thomas Speltz, Maria V. Korshunova, Micha Livne, Michelle L. Gill, , Andrew L. Ferguson
ProT-VAE designs functional proteins by learning sequence-function relationships using a transformer-based variational autoencoder, enabling conditional generation of novel sequences with high functionality.
Proceedings of the National Academy of Sciences · Oct 6, 2025Peer-reviewedSynthetic Biology
Optimal transport modeling uncovers spatial domain dynamics in spatiotemporal transcriptomics studies
Wenjing Ma, Siyu Hou, Lulu Shang, Jiaying Lu, Xiang Zhou
SpaDOT identifies spatial domains and their temporal dynamics in spatiotemporal transcriptomics data, revealing key developmental processes like valvulogenesis.
bioRxiv · Oct 6, 2025 · PreprintBioinformatics
Unsupervised learning of multi-omics data enables disease risk prediction in the UK Biobank
Rohrer Chiara, Justus F. Gräf, Marc Pielies Avelli, Ricardo Hernández Medina, Henry Emanuel Webel, Kirstine Ravn, Simon Rasmussen
The paper applies a variational autoencoder to multi-omics data from the UK Biobank to assess disease risk prediction and the impact of preprocessing on model performance.
bioRxiv · Oct 2, 2025 · PreprintBioinformatics
GCP-VQVAE: A Geometry-Complete Language for Protein 3D Structure
Mahdi Pourmirzaei, Alex Morehead, Farzaneh Esmaili, Jarett Zida Ren, Mohammadreza Pourmirzaei, Dong He Xu
This paper introduces GCP-VQVAE, a geometry-complete tokenizer for protein structures, achieving state-of-the-art performance on benchmark datasets and demonstrating robust generalization to unseen proteins.
bioRxiv · Oct 1, 2025 · PreprintBioinformatics
GRPa-PRS: A risk stratification method to identify genetically-regulated pathways in polygenic diseases
Xiaoyang Li, Brisa Simões Fernandes, Andi Liu, Jingchun Chen, Xiangning Chen, Zhongming Zhao, Yulin Dai
GRPa-PRS identifies genetically-regulated pathways in polygenic diseases by stratifying individuals based on PRS and analyzing differential gene expression across risk strata.
Alzheimer s & Dementia · Oct 1, 2025Peer-reviewedGenetic & Genomic Medicine
Merging conformational landscapes in a single consensus space with FlexConsensus algorithm
David Herreros, Carlos P. Mata, Carlos Óscar S. Sorzano, J.M. Carazo
The paper introduces FlexConsensus, an algorithm that merges conformational landscapes from different CryoEM heterogeneity methods into a shared consensus space to improve reliability and reproducibility.
Nature Methods · Sep 25, 2025Peer-reviewedBioinformatics
High-Fidelity Neural Speech Reconstruction through an Efficient Acoustic-Linguistic Dual-Pathway Framework
Jiawei Li, Chunxu Guo, Chao Zhang, Edward F. Chang, Yuanning Li
This paper introduces a dual-path framework for reconstructing high-fidelity speech from neural recordings, achieving high intelligibility with limited ECoG data.
bioRxiv · Sep 24, 2025Neuroscience
Efficient protein structure generation with sparse denoising models
Michael Jendrusch, Jan O. Korbel
This paper introduces salad, a sparse denoising model for efficient protein backbone generation, and demonstrates its effectiveness for various protein design tasks.
Nature Machine Intelligence · Sep 24, 2025Peer-reviewedBioinformatics
Representation learning of single-cell time-series with deep variational autoencoders
Achille Fraisse, Diego A. Oyarzún, Meriem El Karoui
This paper uses deep variational autoencoders to learn representations of single-cell time-series data from E. coli, showing good generalization across growth conditions and drug treatments.
bioRxiv · Sep 22, 2025 · PreprintMicrobiology
Discovering cell types and states from reference atlases with heterogeneous single-cell ATAC-seq features
EpiPack improves scATAC-seq analysis by integrating heterogeneous features and detecting perturbed cell types and states through transfer learning and graph-based modeling.
bioRxiv · Sep 19, 2025 · PreprintBioinformatics
Few-shot learning for highly accelerated 3D time-of-flight MRA reconstruction
Hao Li, Mark Chiew, Iulius Dragonu, Peter Jezzard, Thomas W. Okell
This paper develops a few-shot learning method for 3D TOF-MRA reconstruction, achieving high-quality results with minimal experimental data and outperforming existing methods.
Magnetic Resonance in Medicine · Sep 10, 2025Peer-reviewedNeuroscience
LieOTDock: A Protein Docking Framework via Lie Group Optimization and Optimal Transport
Yue Hu, Zanxia Cao, Yingchao Liu
LieOTDock generates high-quality protein docking poses using Lie group optimization and optimal transport, achieving 3.43 Å RMSD on a benchmark in under three minutes.
bioRxiv · Sep 4, 2025 · PreprintBioinformatics
PILOT-GM-VAE: Patient-Level Analysis of single cell Disease Atlas with Optimal Transport of Gaussian Mixture Variational Autoencoders
Mehdi Joodaki, Mina Shaigan, Samaneh Samiei, James Shiniti Nagai, Tiago Maié, Christoph Kuppe, Ivan G. Costa
PILOT-GM-VAE analyzes single cell disease atlases to perform sample-level clustering, trajectory inference, and batch correction using Gaussian Mixture Variational Autoencoders with optimal transport.
Briefings in Bioinformatics · Aug 31, 2025Peer-reviewedBioinformatics
DeepBioSim: Efficient and Versatile Methods for Microbiome Data Simulation with Minimal Statistical Assumptions
Yiyang Shen, Shri Vishalini Rajaram, Weiran Wang, Erliang Zeng
DeepBioSim generates realistic microbiome datasets using deep learning, without strong assumptions or phylogenetic input, and can also simulate single-organism omics profiles.
bioRxiv · Aug 21, 2025 · PreprintBioinformatics
LieOTAlign: A Differentiable Protein Structure Alignment Framework Combining Optimal Transport and Lie Algebra
Yue Hu, Zanxia Cao, Yingchao Liu
LieOTAlign introduces a differentiable protein structure alignment framework using Lie algebra and optimal transport, achieving higher TM-scores on benchmark datasets.
bioRxiv · Aug 21, 2025 · PreprintBioinformatics
Neuronal Decoding of Decisions in Multidimensional Feature Space Using a Gated Recurrent Variational Autoencoder
Charles Grimes Gerrity, Robert Louie Treuting, Richard Alan Peters, Thilo Womelsdorf
This paper develops a gated recurrent variational autoencoder to decode decision-making from neuronal data in monkeys, showing comparable accuracy in multidimensional feature space.
bioRxiv · Aug 20, 2025 · PreprintNeuroscience
GENESIS: Generating scRNA-Seq data from Multiome Gene Expression
Simone G. Riva, Brynelle Myers, Francesca Meteora Buffa, Andrea Tangherloni
GENESIS converts Multiome GEX data into synthetic scRNA-Seq profiles using generative models, improving cell-type classification accuracy.
IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB) · Aug 20, 2025Peer-reviewedBioinformatics
Employing Artificial Neural Networks for Optimal Storage and Facile Sharing of Molecular Dynamics Simulation Trajectories
Abdul Wasim, Lars V. Schäfer, Jagannath Mondal
This paper develops a method using AutoEncoders to compress Molecular Dynamics trajectories, achieving 98% space reduction while maintaining accurate reconstruction of atom coordinates.
Journal of Chemical Information and Modeling · Aug 18, 2025Peer-reviewedBiophysics
A Multi-Property Optimizing Generative Adversarial Network for de novo Antimicrobial Peptide Design
Jiaming Liu, Tao Cui, Tao Wang, Lishan Lin, Xi Zeng, Dazhi Lu, Shaoqing Jiao, Jun Wang, Xiaoyan Li, Shuyuan Xiao, Dongna Xie, Xuecheng Wang, Yongtian Wang, Xuequn Shang, Yinbo Niu, , Jiajie Peng
This paper introduces MPOGAN, a generative adversarial network for designing antimicrobial peptides with multiple desired properties, showing improved performance in antimicrobial activity and reduced cytotoxicity.
Advanced Science · Aug 11, 2025Peer-reviewedBioinformatics
Deep Generative Models for Discrete Genotype Simulation
Sihan Xie, Thierry Tribout, Didier Boichard, Blaise Hanczar, Julien Chiquet, Éric Barrey
This study evaluates deep generative models for simulating discrete genotype data, showing their ability to capture genetic patterns and preserve genotype-phenotype associations.
bioRxiv · Aug 8, 2025 · PreprintBioinformatics
Variational Autoencoder-based Model Improves Polygenic Prediction in Blood Cell Traits
Xiaoqi Li, Elena V. Kharitonova, Minxing Pang, Jia Wen, Laura Y. Zhou, Laura M. Raffield, Haibo Zhou, Huaxiu Yao, Can Chen, Yun Li, Quan Sun
This study introduces VAE-PRS, a deep learning model that improves polygenic prediction for blood cell traits by capturing interaction effects and outperforming traditional methods in 14 out of 16 traits.
Human Genetics and Genomics Advances · Aug 8, 2025Peer-reviewedBioinformatics
Quantome: A Quantum Surrogate Model for Biophysical Landscapes
Ashar J. Malik, David Benjamin Ascher
The paper introduces a quantum surrogate model framework for biophysical landscapes, demonstrating its ability to simulate transitions between localized and delocalized states using variational quantum eigensolver simulations.
bioRxiv · Aug 6, 2025 · PreprintBiophysics
Predicting individual learning trajectories in zebrafish via the free-energy principle
Takuya Isomura, Yuki Tanimoto, Makio Torigoe, Hitoshi Okamoto, Hideaki Shimazaki
This paper uses active inference to model zebrafish neuronal dynamics during a go/no-go task, predicting individual learning trajectories and behavioural changes.
bioRxiv · Aug 6, 2025 · PreprintNeuroscience
Interpretable spatial multi-omics data integration and dimension reduction with SpaMV
Yang Liu, Kexin Ma, Haoran Xu, Ke Xu, Yunfei Hu, Zhenhan Lin, Jiangli Lin, Bo Han, Shuai Cheng Li, Zhixiang Lin, Xin Zhou, Lu Zhang
The paper introduces SpaMV, a method for integrating spatial multi-omics data that preserves modality-specific information and improves clustering and dimensionality reduction.
bioRxiv · Aug 2, 2025 · PreprintBioinformatics
Triple-effect correction for Cell Painting data with contrastive and domain-adversarial learning
Chengwei Yan, Yu Zhang, Jiuxin Feng, Heyang Hua, Zhihan Ruan, Zhen Li, Siyu Li, Chaoyang Yan, Pingjing Li, Jian Liu, Shengquan Chen
The paper introduces cpDistiller, a method to correct three technical effects in Cell Painting data using contrastive and domain-adversarial learning, improving analysis reliability and phenotypic response detection.
Nature Communications · Jul 25, 2025Peer-reviewedBioinformatics
QOBRA: A Quantum Operator-Based Autoencoder for De Novo Molecular Design
Yue Yu, Francesco Calcagno, Haote Li, Víctor S. Batista
QOBRA is a quantum autoencoder for de novo molecular design that generates valid, novel molecules from limited datasets, demonstrating the potential of quantum computing in molecular synthesis.
bioRxiv · Jul 15, 2025 · PreprintBioinformatics
SurfNet: Reconstruction of Cortical Surfaces via Coupled Diffeomorphic Deformations
Hao Zheng, Hongming Li, Yong Fan A
SurfNet jointly reconstructs cortical surfaces from MRIs using diffeomorphic deformations, achieving state-of-the-art accuracy and topological correctness.
IEEE Transactions on Medical Imaging · Jul 2, 2025Peer-reviewedNeuroscience