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Single-cell perturbation prediction aims to infer how cells respond to unseen interventions and to achieve out-of-distribution (OOD) generalization, providing a computational route to understanding how perturbations reshape cellular…

Machine Learning · Computer Science 2026-05-26 Wenkang Jiang , Yuhang Liu , Erdun Gao , Ehsan Abbasnejad , Lina Yao , Javen Qinfeng Shi

Single-cell perturbation modeling is fundamental for understanding and predicting cellular responses to genetic perturbations. However, existing approaches, from causal representation learning to foundation models, often struggle with an…

Machine Learning · Computer Science 2026-05-20 Wenkang Jiang , Yuhang Liu , Yichao Cai , Erdun Gao , Jiayi Dong , Ehsan Abbasnejad , Lina Yao , Javen Qinfeng Shi

Latent variable models such as the Variational Auto-Encoder (VAE) have become a go-to tool for analyzing biological data, especially in the field of single-cell genomics. One remaining challenge is the interpretability of latent variables…

Genomics · Quantitative Biology 2023-02-20 Romain Lopez , Nataša Tagasovska , Stephen Ra , Kyunghyn Cho , Jonathan K. Pritchard , Aviv Regev

Controllable data generation aims to synthesize data by specifying values for target concepts. Achieving this reliably requires modeling the underlying generative factors and their relationships. In real-world scenarios, these factors…

Machine Learning · Computer Science 2025-11-21 Qilong Zhao , Shiyu Wang , Zeeshan Memon , Yang Qiao , Guangji Bai , Bo Pan , Zhaohui Qin , Liang Zhao

Predicting the impact of genomic and drug perturbations in cellular function is crucial for understanding gene functions and drug effects, ultimately leading to improved therapies. To this end, Causal Representation Learning (CRL)…

This paper challenges the common assumption that the weight $\beta$, in $\beta$-VAE, should be larger than $1$ in order to effectively disentangle latent factors. We demonstrate that $\beta$-VAE, with $\beta < 1$, can not only attain good…

Machine Learning · Computer Science 2020-10-02 Huajie Shao , Haohong Lin , Qinmin Yang , Shuochao Yao , Han Zhao , Tarek Abdelzaher

Generative models of observations under interventions have been a vibrant topic of interest across machine learning and the sciences in recent years. For example, in drug discovery, there is a need to model the effects of diverse…

Machine Learning · Statistics 2024-01-17 Michael Bereket , Theofanis Karaletsos

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to…

Machine Learning · Computer Science 2023-12-20 Mengyue Yang , Furui Liu , Zhitang Chen , Xinwei Shen , Jianye Hao , Jun Wang

Computational modeling of single-cell gene expression is crucial for understanding cellular processes, but generating realistic expression profiles remains a major challenge. This difficulty arises from the count nature of gene expression…

While deep generative models have significantly advanced representation learning, they may inherit or amplify biases and fairness issues by encoding sensitive attributes alongside predictive features. Enforcing strict independence in…

Machine Learning · Computer Science 2025-11-18 Chenrui Ma , Xi Xiao , Tianyang Wang , Xiao Wang , Yanning Shen

Generative modeling and self-supervised learning have in recent years made great strides towards learning from data in a completely unsupervised way. There is still however an open area of investigation into guiding a neural network to…

Machine Learning · Computer Science 2023-05-17 Vaishnavi Patil , Matthew Evanusa , Joseph JaJa

This thesis develops methods for causal inference and causal representation learning (CRL) in high-dimensional, time-varying data. The first contribution introduces the Causal Dynamic Variational Autoencoder (CDVAE), a model for estimating…

Machine Learning · Statistics 2025-12-05 Mouad EL Bouchattaoui

Representation disentanglement may help AI fundamentally understand the real world and thus benefit both discrimination and generation tasks. It currently has at least three unresolved core issues: (i) heavy reliance on label annotation and…

Computer Vision and Pattern Recognition · Computer Science 2025-09-10 Xin Jin , Bohan Li , BAAO Xie , Wenyao Zhang , Jinming Liu , Ziqiang Li , Tao Yang , Wenjun Zeng

Deep generative models have recently emerged as a promising de novo drug design method. In this respect, deep generative conditional variational autoencoder (CVAE) models are a powerful approach for generating novel molecules with desired…

Machine Learning · Computer Science 2023-08-21 Guang Jun Nicholas Ang , De Tao Irwin Chin , Bingquan Shen

We present a new supervised learning technique for the Variational AutoEncoder (VAE) that allows it to learn a causally disentangled representation and generate causally disentangled outcomes simultaneously. We call this approach Causally…

Machine Learning · Statistics 2023-10-10 Seunghwan An , Kyungwoo Song , Jong-June Jeon

Improving controllability or the ability to manipulate one or more attributes of the generated data has become a topic of interest in the context of deep generative models of music. Recent attempts in this direction have relied on learning…

Sound · Computer Science 2021-08-04 Ashis Pati , Alexander Lerch

Predicting the responses of a cell under perturbations may bring important benefits to drug discovery and personalized therapeutics. In this work, we propose a novel graph variational Bayesian causal inference framework to predict a cell's…

We present two deep generative models based on Variational Autoencoders to improve the accuracy of drug response prediction. Our models, Perturbation Variational Autoencoder and its semi-supervised extension, Drug Response Variational…

Machine Learning · Statistics 2017-07-07 Ladislav Rampasek , Daniel Hidru , Petr Smirnov , Benjamin Haibe-Kains , Anna Goldenberg

Disentangled and interpretable latent representations in generative models typically come at the cost of generation quality. The $\beta$-VAE framework introduces a hyperparameter $\beta$ to balance disentanglement and reconstruction…

Machine Learning · Computer Science 2025-07-10 Anshuk Uppal , Yuhta Takida , Chieh-Hsin Lai , Yuki Mitsufuji

Single-cell RNA sequencing (scRNA-seq) has revealed complex cellular heterogeneity, but recent studies emphasize that understanding biological function also requires modeling cell-cell communication (CCC), the signaling interactions…

Machine Learning · Computer Science 2025-12-29 Cong Qi , Yeqing Chen , Zhi Wei
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