Results 51 to 60 of about 3,760 (232)

De novo reconstruction of cell interaction landscapes from single-cell spatial transcriptome data with DeepLinc

Genome Biology, 2022
Based on a deep generative model of variational graph autoencoder (VGAE), we develop a new method, DeepLinc (deep learning framework for Landscapes of Interacting Cells), for the de novo reconstruction of cell interaction networks from single-cell ...
Runze Li, Xuerui Yang
doaj   +1 more source

De Novo Design of Membrane‐Targeting Antimicrobial Peptides Against Gram‐Negative Bacteria Using a Generative Artificial Intelligence Framework

Advanced Science, EarlyView.
Antimicrobial resistance caused by Gram‐negative bacteria remains difficult to overcome due to the protective outer membrane. To address this challenge, a multi‐condition constrained generative AI framework, GenMTAMP is proposed for de novo membrane‐targeting antimicrobial peptide design by integrating physicochemical and spatial structure descriptors.
Jingxiao Yu, Da‐Wen Sun, QingYi Wei, Yibing Zhang, Jidong Tang, Hongbin Pu   +5 more
wiley   +1 more source

MESM: integrating multi-source data for high-accuracy protein-protein interactions prediction through multimodal language models

BMC Biology
Background Protein-protein interactions (PPIs) play a critical role in essential biological processes such as signal transduction, enzyme activity regulation, cytoskeletal structure, immune responses, and gene regulation.
Feng Wang, Jinming Chu, Liyan Shen, Shan Chang   +3 more
doaj   +1 more source

Junction Tree Variational Autoencoder for Molecular Graph Generation

CoRR, 2018
We seek to automate the design of molecules based on specific chemical properties. In computational terms, this task involves continuous embedding and generation of molecular graphs. Our primary contribution is the direct realization of molecular graphs, a task previously approached by generating linear SMILES strings instead of graphs.
Jin, Wengong, Barzilay, Regina, Jaakkola, Tommi   +2 more
openaire   +4 more sources

Accurately Deciphering Tissue Heterogeneity From Spatial Multi‐Modal and Multi‐Omics With STransformer

Advanced Science, EarlyView.
STransformer is a unified deep learning framework designed to seamlessly accommodate a comprehensive landscape of spatial data. By simultaneously capturing short‐range cellular interactions and tissue‐wide semantic patterns, it extracts robust representations to accurately dissect complex tissue heterogeneity.
Xingyi Li, Jialuo Xu, Gaoyuan Du, Xiangting Jia, Dongmin Zhao, Chunyan Zhou, Kexin Xiao, Jia Gu, Junnan Zhu, Xuequn Shang   +9 more
wiley   +1 more source

D-VAE: A Variational Autoencoder for Directed Acyclic Graphs

CoRR, 2019
Graph structured data are abundant in the real world. Among different graph types, directed acyclic graphs (DAGs) are of particular interest to machine learning researchers, as many machine learning models are realized as computations on DAGs, including neural networks and Bayesian networks.
Muhan Zhang, Shali Jiang 0001, Zhicheng Cui, Roman Garnett, Yixin Chen 0001   +4 more
openaire   +3 more sources

CauFinder: Steering Cell‐State and Phenotype Transitions by Causal Disentanglement Learning

Advanced Science, EarlyView.
CauFinder combines causal disentanglement modeling and network control to prioritize causal drivers of cell‐state transitions from observational transcriptomic data. The framework separates transition‐relevant signals from spurious associations, nominates intervention targets across biological and disease contexts, and identifies DAAM1 as an actionable
Chengming Zhang, Zexi Chen, Yuanxiang Miao, Zuolin Shen, Deyu Cai, Shijie Tang, Yun Xue, Weifeng Guo, Hongbin Ji, Jian Liu, Kazuyuki Aihara, Luonan Chen   +11 more
wiley   +1 more source

Condition‐Associated Pattern Extraction and Recovery From Multi‐Condition Single‐Cell RNA‐seq Data With CAPER

Advanced Science, EarlyView.
Decoupling biological signals from unwanted variation in multi‑condition single‑cell RNA sequencing data remains challenging. CAPER disentangles condition‑associated biological effects from sample heterogeneity through matrix factorization, producing interpretable latent factors and a batch‑corrected expression matrix.
Ye Li, Jin Ning, An Wang, Minxi Shi, Yuanze Chen, Guoliang Liu, Shiquan Sun   +6 more
wiley   +1 more source

A Generative Neuro‐Symbolic AI for Protein Sequence Design

Advanced Science, EarlyView.
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne, Delphine Dessaux, Samuel Buchet, Lucie Barthe, Liza Ammar‐Khodja, Bessam Azizi, Valentin Durante, Gianluca Cioci, Simon de Givry, Alain Roussel, Luis F. Garcia‐Alles, Thomas Schiex, Sophie Barbe   +12 more
wiley   +1 more source

DVAE-GNN: a dual variational autoencoder graph neural network for unsupervised anomaly detection in static attributed networks

Discover Data
Unsupervised anomaly detection in static attributed networks is a crucial research area in network science, with applications spanning cybersecurity, social network analysis, and beyond.
Hari Prasad Piridi, Dipanjan Chakraborty, Prajna Devi Upadhyay   +2 more
doaj   +1 more source