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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

Data assimilation refers to a set of algorithms designed to compute the optimal estimate of a system's state by refining the prior prediction (known as background states) using observed data. Variational assimilation methods rely on the…

Machine Learning · Computer Science 2024-05-24 Yi Xiao , Qilong Jia , Wei Xue , Lei Bai

Latent variable models can be used to probabilistically "fill-in" missing data entries. The variational autoencoder architecture (Kingma and Welling, 2014; Rezende et al., 2014) includes a "recognition" or "encoder" network that infers the…

Machine Learning · Computer Science 2019-02-20 Christopher K. I. Williams , Charlie Nash , Alfredo Nazábal

Due to their uncertainty quantification, Bayesian solutions to inverse problems are the framework of choice in applications that are risk averse. These benefits come at the cost of computations that are in general, intractable. New advances…

Machine Learning · Computer Science 2024-05-10 Rafael Orozco , Ali Siahkoohi , Mathias Louboutin , Felix J. Herrmann

Variational Auto-Encoders (VAEs) are capable of learning latent representations for high dimensional data. However, due to the i.i.d. assumption, VAEs only optimize the singleton variational distributions and fail to account for the…

Machine Learning · Computer Science 2020-04-20 Da Tang , Dawen Liang , Tony Jebara , Nicholas Ruozzi

We present a representation learning algorithm that learns a low-dimensional latent dynamical system from high-dimensional \textit{sequential} raw data, e.g., video. The framework builds upon recent advances in amortized inference methods…

Machine Learning · Computer Science 2020-01-29 Jung-Su Ha , Young-Jin Park , Hyeok-Joo Chae , Soon-Seo Park , Han-Lim Choi

Sequential experimental design to discover interventions that achieve a desired outcome is a key problem in various domains including science, engineering and public policy. When the space of possible interventions is large, making an…

Machine Learning · Computer Science 2023-08-17 Jiaqi Zhang , Louis Cammarata , Chandler Squires , Themistoklis P. Sapsis , Caroline Uhler

Recent advances in electron, scanning probe, optical, and chemical imaging and spectroscopy yield bespoke data sets containing the information of structure and functionality of complex systems. In many cases, the resulting data sets are…

Materials Science · Physics 2024-11-15 Yongtao Liu , Bryan D Huey , Maxim A. Ziatdinov , Sergei V. Kalinin

Inferring causal effects of a treatment, intervention or policy from observational data is central to many applications. However, state-of-the-art methods for causal inference seldom consider the possibility that covariates have missing…

Methodology · Statistics 2020-02-26 Imke Mayer , Julie Josse , Félix Raimundo , Jean-Philippe Vert

Continuous treatment effect estimation holds significant practical importance across various decision-making and assessment domains, such as healthcare and the military. However, current methods for estimating dose-response curves hinge on…

Machine Learning · Computer Science 2024-06-05 Ruijing Cui , Jianbin Sun , Bingyu He , Kewei Yang , Bingfeng Ge

Learning from an imbalanced distribution presents a major challenge in predictive modeling, as it generally leads to a reduction in the performance of standard algorithms. Various approaches exist to address this issue, but many of them…

Machine Learning · Computer Science 2024-12-11 Samuel Stocksieker , Denys Pommeret , Arthur Charpentier

Stochastic variational inference and its derivatives in the form of variational autoencoders enjoy the ability to perform Bayesian inference on large datasets in an efficient manner. However, performing inference with a VAE requires a…

Neural and Evolutionary Computing · Computer Science 2023-08-17 Ahmad Ayaz Amin

There is a growing need for sparse representational formats of human affective states that can be utilized in scenarios with limited computational memory resources. We explore whether representing neural data, in response to emotional…

Active inference is a formal approach to study cognition based on the notion that adaptive agents can be seen as engaging in a process of approximate Bayesian inference, via the minimisation of variational and expected free energies.…

Artificial Intelligence · Computer Science 2025-08-19 Filippo Torresan , Keisuke Suzuki , Ryota Kanai , Manuel Baltieri

Understanding the structure of complex, nonstationary, high-dimensional time-evolving signals is a central challenge in scientific data analysis. In many domains, such as speech and biomedical signal processing, the ability to learn…

Machine Learning · Computer Science 2026-01-13 Ioannis Ziogas , Aamna Al Shehhi , Ahsan H. Khandoker , Leontios J. Hadjileontiadis

Instance-based interpretation methods have been widely studied for supervised learning methods as they help explain how black box neural networks predict. However, instance-based interpretations remain ill-understood in the context of…

Machine Learning · Computer Science 2022-01-25 Zhifeng Kong , Kamalika Chaudhuri

Traffic Accident Anticipation (TAA) in traffic scenes is a challenging problem for achieving zero fatalities in the future. Current approaches typically treat TAA as a supervised learning task needing the laborious annotation of accident…

Multimedia · Computer Science 2025-06-13 Jianwu Fang , Lei-Lei Li , Zhedong Zheng , Hongkai Yu , Jianru Xue , Zhengguo Li , Tat-Seng Chua

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

Recently there has been an increased interest in unsupervised learning of disentangled representations using the Variational Autoencoder (VAE) framework. Most of the existing work has focused largely on modifying the variational cost…

Machine Learning · Statistics 2019-09-12 Jan Stühmer , Richard E. Turner , Sebastian Nowozin

Multi-agent behavior modeling and trajectory forecasting are crucial for the safe navigation of autonomous agents in interactive scenarios. Variational Autoencoder (VAE) has been widely applied in multi-agent interaction modeling to…

Machine Learning · Computer Science 2021-12-02 Chen Tang , Wei Zhan , Masayoshi Tomizuka