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Optimal Transport (OT) problem investigates a transport map that bridges two distributions while minimizing a given cost function. In this regard, OT between tractable prior distribution and data has been utilized for generative modeling…

Computer Vision and Pattern Recognition · Computer Science 2024-02-07 Jaemoo Choi , Jaewoong Choi , Myungjoo Kang

Predicting single-cell perturbation outcomes directly advances gene function analysis and facilitates drug candidate selection, making it a key driver of both basic and translational biomedical research. However, a major bottleneck in this…

Machine Learning · Computer Science 2025-11-18 Changxi Chi , Yufei Huang , Jun Xia , Jiangbin Zheng , Yunfan Liu , Zelin Zang , Stan Z. Li

Single-cell RNA sequencing (scRNA-seq) allows transcriptional profiling, and cell-type annotation of individual cells. However, sample preparation in typical scRNA-seq experiments often homogenizes the samples, thus spatial locations of…

Applications · Statistics 2024-08-28 Junhao Zhu , Kevin Zhang , Dehan Kong , Zhaolei Zhang

Foundation models for single-cell RNA sequencing (scRNA-seq) have shown promising capabilities in capturing gene expression patterns. However, current approaches face critical limitations: they ignore biological prior knowledge encoded in…

Machine Learning · Computer Science 2025-03-04 Mufan Qiu , Xinyu Hu , Fengwei Zhan , Sukwon Yun , Jie Peng , Ruichen Zhang , Bhavya Kailkhura , Jiekun Yang , Tianlong Chen

It is increasingly common to encounter data from dynamic processes captured by static cross-sectional measurements over time, particularly in biomedical settings. Recent attempts to model individual trajectories from this data use optimal…

Machine Learning · Statistics 2020-07-28 Alexander Tong , Jessie Huang , Guy Wolf , David van Dijk , Smita Krishnaswamy

Generative adversarial networks (GANs) are an expressive class of neural generative models with tremendous success in modeling high-dimensional continuous measures. In this paper, we present a scalable method for unbalanced optimal…

Machine Learning · Computer Science 2019-08-06 Karren D. Yang , Caroline Uhler

Despite theoretical advantages, causal methods for Gene Regulatory Network (GRN) inference from single-cell RNA-seq data consistently fail to match or outperform correlation-based baselines in many realistic benchmarks, a persistent puzzle…

Machine Learning · Computer Science 2026-05-07 Miguel Fernandez-de-Retana , Ruben Sanchez-Corcuera , Unai Zulaika , Aritz Bilbao-Jayo , Aitor Almeida

Recently, the pretrain-finetuning paradigm has attracted tons of attention in graph learning community due to its power of alleviating the lack of labels problem in many real-world applications. Current studies use existing techniques, such…

Machine Learning · Computer Science 2022-05-11 Jiying Zhang , Xi Xiao , Long-Kai Huang , Yu Rong , Yatao Bian

Influenced by breakthroughs in LLMs, single-cell foundation models are emerging. While these models show successful performance in cell type clustering, phenotype classification, and gene perturbation response prediction, it remains to be…

The well-known issue of reconstructing regulatory networks from gene expression measurements has been somewhat disrupted by the emergence and rapid development of single-cell data. Indeed, the traditional way of seeing a gene regulatory…

Molecular Networks · Quantitative Biology 2021-10-01 Ulysse Herbach

Gene regulatory network (GRN) refers to the complex network formed by regulatory interactions between genes in living cells. In this paper, we consider inferring GRNs in single cells based on single cell RNA sequencing (scRNA-seq) data. In…

Molecular Networks · Quantitative Biology 2022-05-24 Junjie Tang , Changhu Wang , Feiyi Xiao , Ruibin Xi

Current graph neural network (GNN) architectures naively average or sum node embeddings into an aggregated graph representation -- potentially losing structural or semantic information. We here introduce OT-GNN, a model that computes graph…

Machine Learning · Statistics 2021-10-12 Benson Chen , Gary Bécigneul , Octavian-Eugen Ganea , Regina Barzilay , Tommi Jaakkola

Correct inference of genetic regulations inside a cell is one of the greatest challenges in post genomic era for the biologist and researchers. Several intelligent techniques and models were already proposed to identify the regulatory…

Artificial Intelligence · Computer Science 2017-08-03 Sudip Mandal , Goutam Saha , Rajat K. Pal

The estimation of origin-destination (OD) matrices is a crucial aspect of Intelligent Transport Systems (ITS). It involves adjusting an initial OD matrix by regressing the current observations like traffic counts of road sections (e.g.,…

Artificial Intelligence · Computer Science 2023-10-10 Zheli Xiong , Defu Lian , Enhong Chen , Gang Chen , Xiaomin Cheng

Detecting dynamic patterns of task-specific responses shared across heterogeneous datasets is an essential and challenging problem in many scientific applications in medical science and neuroscience. In our motivating example of rodent…

Neurons and Cognition · Quantitative Biology 2024-07-02 Yubai Yuan , Babak Shahbaba , Norbert Fortin , Keiland Cooper , Qing Nie , Annie Qu

We tackle the challenge of disentangled representation learning in generative adversarial networks (GANs) from the perspective of regularized optimal transport (OT). Specifically, a smoothed OT loss gives rise to an implicit transportation…

Machine Learning · Computer Science 2019-12-05 Pierre Bréchet , Tao Wu , Thomas Möllenhoff , Daniel Cremers

Graph Neural Networks (GNN) are reshaping our understanding of biomedicine and diseases by revealing the deep connections among genes and cells. As both algorithmic and biomedical technologies have advanced significantly, we're entering a…

Machine Learning · Computer Science 2023-10-17 Konstantinos Lazaros , Dimitris E. Koumadorakis , Panagiotis Vlamos , Aristidis G. Vrahatis

Graph kernel is a powerful tool measuring the similarity between graphs. Most of the existing graph kernels focused on node labels or attributes and ignored graph hierarchical structure information. In order to effectively utilize graph…

Machine Learning · Computer Science 2020-11-03 Kai Ma , Peng Wan , Daoqiang Zhang

We develop a statistical inference method for an optimal transport map between distributions on real numbers with uniform confidence bands. The concept of optimal transport (OT) is used to measure distances between distributions, and OT…

Statistics Theory · Mathematics 2024-02-16 Donlapark Ponnoprat , Ryo Okano , Masaaki Imaizumi

Network alignment, which aims to find node correspondence across different networks, is the cornerstone of various downstream multi-network and Web mining tasks. Most of the embedding-based methods indirectly model cross-network node…

Artificial Intelligence · Computer Science 2025-02-27 Qi Yu , Zhichen Zeng , Yuchen Yan , Lei Ying , R. Srikant , Hanghang Tong