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Graph convolutional networks (GCNs) are \emph{discriminative models} that directly model the class posterior $p(y|\mathbf{x})$ for semi-supervised classification of graph data. While being effective, as a representation learning approach,…

Machine Learning · Computer Science 2023-05-30 Tianchun Wang , Farzaneh Mirzazadeh , Xiang Zhang , Jie Chen

Flow-based models are powerful tools for designing probabilistic models with tractable density. This paper introduces Convex Potential Flows (CP-Flow), a natural and efficient parameterization of invertible models inspired by the optimal…

Machine Learning · Computer Science 2021-02-25 Chin-Wei Huang , Ricky T. Q. Chen , Christos Tsirigotis , Aaron Courville

Assuming a-priori a smooth generating vector field, we introduce a generally covariant measure of the flow geometry called the referential gradient of the flow. The main result is the explicit relation between the referential gradient and…

Mathematical Physics · Physics 2014-11-21 J. K. Edmondson

Deep Gaussian processes (DGPs), a hierarchical composition of GP models, have successfully boosted the expressive power of their single-layer counterpart. However, it is impossible to perform exact inference in DGPs, which has motivated the…

Machine Learning · Computer Science 2021-05-27 Haibin Yu , Dapeng Liu , Yizhou Chen , Bryan Kian Hsiang Low , Patrick Jaillet

Flow-based deep generative models learn data distributions by transforming a simple base distribution into a complex distribution via a set of invertible transformations. Due to the invertibility, such models can score unseen data samples…

Machine Learning · Computer Science 2019-06-18 Maximilian Schmidt , Marko Simic

Recently there has been increased interest in semi-supervised classification in the presence of graphical information. A new class of learning models has emerged that relies, at its most basic level, on classifying the data after first…

Machine Learning · Computer Science 2022-02-07 Aseem Baranwal , Kimon Fountoulakis , Aukosh Jagannath

Estimating three-dimensional conformations of a molecular graph allows insight into the molecule's biological and chemical functions. Fast generation of valid conformations is thus central to molecular modeling. Recent advances in…

Machine Learning · Computer Science 2025-02-18 Sohil Atul Shah , Vladlen Koltun

We generalize the scattering transform to graphs and consequently construct a convolutional neural network on graphs. We show that under certain conditions, any feature generated by such a network is approximately invariant to permutations…

Information Theory · Computer Science 2020-09-10 Dongmian Zou , Gilad Lerman

We study linear evolution equations in separable Hilbert spaces defined by a bounded linear operator. We answer the question which of these equations can be written as a gradient flow, namely those for which the operator is real…

Analysis of PDEs · Mathematics 2021-10-06 D. R. Michiel Renger , Stefanie Schindler

We propose injective generative models called Trumpets that generalize invertible normalizing flows. The proposed generators progressively increase dimension from a low-dimensional latent space. We demonstrate that Trumpets can be trained…

Machine Learning · Computer Science 2023-07-25 Konik Kothari , AmirEhsan Khorashadizadeh , Maarten de Hoop , Ivan Dokmanić

Statistical generative models for molecular graphs attract attention from many researchers from the fields of bio- and chemo-informatics. Among these models, invertible flow-based approaches are not fully explored yet. In this paper, we…

Machine Learning · Computer Science 2019-10-01 Shion Honda , Hirotaka Akita , Katsuhiko Ishiguro , Toshiki Nakanishi , Kenta Oono

Residential Load Profile (RLP) generation and prediction are critical for the operation and planning of distribution networks, especially as diverse low-carbon technologies (e.g., photovoltaic and electric vehicles) are increasingly…

Machine Learning · Computer Science 2025-10-28 Weijie Xia , Chenguang Wang , Peter Palensky , Pedro P. Vergara

Normalizing flow (NF) has gained popularity over traditional maximum likelihood based methods due to its strong capability to model complex data distributions. However, the standard approach, which maps the observed data to a normal…

Machine Learning · Computer Science 2022-11-22 Hanze Dong , Shizhe Diao , Weizhong Zhang , Tong Zhang

Normalizing flows are exact-likelihood generative neural networks which approximately transform samples from a simple prior distribution to samples of the probability distribution of interest. Recent work showed that such generative models…

Machine Learning · Statistics 2020-10-27 Jonas Köhler , Leon Klein , Frank Noé

Normalizing Flows are generative models that directly maximize the likelihood. Previously, the design of normalizing flows was largely constrained by the need for analytical invertibility. We overcome this constraint by a training procedure…

Machine Learning · Computer Science 2024-04-25 Felix Draxler , Peter Sorrenson , Lea Zimmermann , Armand Rousselot , Ullrich Köthe

Normalizing flows are a powerful tool for generative modelling, density estimation and posterior reconstruction in Bayesian inverse problems. In this paper, we introduce proximal residual flows, a new architecture of normalizing flows.…

Machine Learning · Computer Science 2023-05-19 Johannes Hertrich

We propose using a discounted version of a convex combination of the log-likelihood with the corresponding expected log-likelihood such that when they are maximized they yield a filter, predictor and smoother for time series. This paper…

Methodology · Statistics 2026-04-29 Simon Donker van Heel , Neil Shephard

In this paper, we propose a new volume-preserving flow and show that it performs similarly to the linear general normalizing flow. The idea is to enrich a linear Inverse Autoregressive Flow by introducing multiple lower-triangular matrices…

Machine Learning · Statistics 2017-06-15 Jakub M. Tomczak , Max Welling

Normalizing Flows (NFs) are likelihood-based models for continuous inputs. They have demonstrated promising results on both density estimation and generative modeling tasks, but have received relatively little attention in recent years. In…

Computer Vision and Pattern Recognition · Computer Science 2025-06-09 Shuangfei Zhai , Ruixiang Zhang , Preetum Nakkiran , David Berthelot , Jiatao Gu , Huangjie Zheng , Tianrong Chen , Miguel Angel Bautista , Navdeep Jaitly , Josh Susskind

We formulate the inverse problem in a Bayesian framework and aim to train a generative model that allows us to simulate (i.e., sample from the likelihood) and do inference (i.e., sample from the posterior). We review the use of triangular…

Machine Learning · Statistics 2025-09-05 Tristan van Leeuwen , Christoph Brune , Marcello Carioni