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In this work, we propose an end-to-end graph network that learns forward and inverse models of particle-based physics using interpretable inductive biases. Physics-informed neural networks are often engineered to solve specific problems…

Machine Learning · Computer Science 2022-02-01 Sakthi Kumar Arul Prakash , Conrad Tucker

Deep generative models (DGMs) for graphs achieve impressively high expressive power thanks to very efficient and scalable neural networks. However, these networks contain non-linearities that prevent analytical computation of many standard…

Machine Learning · Computer Science 2025-08-12 Martin Rektoris , Milan Papež , Václav Šmídl , Tomáš Pevný

Generative Flow Networks (GFlowNets), a class of generative models over discrete and structured sample spaces, have been previously applied to the problem of inferring the marginal posterior distribution over the directed acyclic graph…

Gaussian Graphical models (GGM) are widely used to estimate the network structures in many applications ranging from biology to finance. In practice, data is often corrupted by latent confounders which biases inference of the underlying…

Methodology · Statistics 2023-07-25 Ke Wang , Alexander Franks , Sang-Yun Oh

Recently, graph neural networks (GNNs) have been widely used for document classification. However, most existing methods are based on static word co-occurrence graphs without sentence-level information, which poses three challenges:(1) word…

Computation and Language · Computer Science 2022-03-22 Yinhua Piao , Sangseon Lee , Dohoon Lee , Sun Kim

Graph neural network (GNN) is a promising approach to learning and predicting physical phenomena described in boundary value problems, such as partial differential equations (PDEs) with boundary conditions. However, existing models…

Machine Learning · Computer Science 2023-03-24 Masanobu Horie , Naoto Mitsume

Many statistical problems include model parameters that are defined as the solutions to optimization sub-problems. These include classical approaches such as profile likelihood as well as modern applications involving flow networks or…

Methodology · Statistics 2025-03-17 Cheng Zeng , Yaozhi Yang , Jason Xu , Leo L Duan

Mechanistic network models can capture salient characteristics of empirical networks using a small set of domain-specific, interpretable mechanisms. Yet inference remains challenging because the likelihood is often intractable. We show…

Social and Information Networks · Computer Science 2025-12-30 Till Hoffmann , Jukka-Pekka Onnela

Efficient and high-fidelity prior sampling and inversion for complex geological media is still a largely unsolved challenge. Here, we use a deep neural network of the variational autoencoder type to construct a parametric low-dimensional…

Machine Learning · Statistics 2017-10-26 Eric Laloy , Romain Hérault , John Lee , Diederik Jacques , Niklas Linde

Neural network design has utilized flexible nonlinear processes which can mimic biological systems, but has suffered from a lack of traceability in the resulting network. Graphical probabilistic models ground network design in probabilistic…

Machine Learning · Computer Science 2015-06-19 Kenric P. Nelson , Madalina Barbu , Brian J. Scannell

Probabilistic graphical models are traditionally known for their successes in generative modeling. In this work, we advocate layered graphical models (LGMs) for probabilistic discriminative learning. To this end, we design LGMs in close…

Machine Learning · Computer Science 2019-02-04 Yuesong Shen , Tao Wu , Csaba Domokos , Daniel Cremers

Accurate prediction of permeability in porous media is essential for modeling subsurface flow. While pure data-driven models offer computational efficiency, they often lack generalization across scales and do not incorporate explicit…

Machine Learning · Computer Science 2025-09-18 Qingqi Zhao , Heng Xiao

This paper introduces a new probabilistic architecture called Sum-Product Graphical Model (SPGM). SPGMs combine traits from Sum-Product Networks (SPNs) and Graphical Models (GMs): Like SPNs, SPGMs always enable tractable inference using a…

Machine Learning · Statistics 2017-08-23 Mattia Desana , Christoph Schnörr

Normalizing flows model complex probability distributions by combining a base distribution with a series of bijective neural networks. State-of-the-art architectures rely on coupling and autoregressive transformations to lift up invertible…

Machine Learning · Computer Science 2021-02-15 Antoine Wehenkel , Gilles Louppe

Machine learning (ML) and deep learning (DL) techniques have gained significant attention as reduced order models (ROMs) to computationally expensive structural analysis methods, such as finite element analysis (FEA). Graph neural network…

Machine Learning · Computer Science 2023-09-25 Yuecheng Cai , Jasmin Jelovica

Graph Neural Networks (GNNs) have received considerable attention since its introduction. It has been widely applied in various fields due to its ability to represent graph structured data. However, the application of GNNs is constrained by…

Neurons and Cognition · Quantitative Biology 2023-09-20 Yihan Wu , Tao Chang , Peng Xu , Yangsong Zhang

State estimation is highly critical for accurately observing the dynamic behavior of the power grids and minimizing risks from cyber threats. However, existing state estimation methods encounter challenges in accurately capturing power…

Systems and Control · Electrical Eng. & Systems 2024-01-01 Quang-Ha Ngo , Bang L. H. Nguyen , Tuyen V. Vu , Jianhua Zhang , Tuan Ngo

A graphical model is a statistical model that is associated to a graph whose nodes correspond to variables of interest. The edges of the graph reflect allowed conditional dependencies among the variables. Graphical models admit…

Methodology · Statistics 2016-06-09 Mathias Drton , Marloes H. Maathuis

The growing complexity of the power grid, driven by increasing share of distributed energy resources and by massive deployment of intelligent internet-connected devices, requires new modelling tools for planning and operation. Physics-based…

Machine Learning · Statistics 2018-11-26 Francesco Fusco

This paper introduces a Bayesian framework that combines Markov chain Monte Carlo (MCMC) sampling, dimensionality reduction, and neural density estimation to efficiently handle inverse problems that (i) must be solved multiple times, and…

Computational Engineering, Finance, and Science · Computer Science 2026-02-24 Giacomo Bottacini , Matteo Torzoni , Andrea Manzoni