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We propose Riemannian Denoising Diffusion Probabilistic Models (RDDPMs) for learning distributions on submanifolds of Euclidean space that are level sets of functions, including most of the manifolds relevant to applications. Existing…

Machine Learning · Computer Science 2026-02-17 Zichen Liu , Wei Zhang , Christof Schütte , Tiejun Li

Learning distributions of graphs can be used for automatic drug discovery, molecular design, complex network analysis, and much more. We present an improved framework for learning generative models of graphs based on the idea of deep state…

Machine Learning · Computer Science 2021-12-07 Julian Stier , Michael Granitzer

We introduce a general framework for constructing coarse-grained potential models without ad hoc approximations such as limiting the potential to two- and/or three-body contributions. The scheme, called Deep Coarse-Grained Potential…

Chemical Physics · Physics 2018-08-15 Linfeng Zhang , Jiequn Han , Han Wang , Roberto Car , Weinan E

SDE-based methods such as denoising diffusion probabilistic models (DDPMs) have shown remarkable success in real-world sample generation tasks. Prior analyses of DDPMs have been focused on the exponential Euler discretization, showing…

Machine Learning · Computer Science 2025-11-10 Matthew S. Zhang , Stephen Huan , Jerry Huang , Nicholas M. Boffi , Sitan Chen , Sinho Chewi

Repetitive Transcranial Magnetic Stimulation (rTMS) is a well-supported, evidence-based treatment for depression. However, patterns of response to this treatment are inconsistent. Emerging evidence suggests that artificial intelligence can…

Machine Learning · Computer Science 2024-04-29 Matthew Squires , Xiaohui Tao , Soman Elangovan , Raj Gururajan , Haoran Xie , Xujuan Zhou , Yuefeng Li , U Rajendra Acharya

Symbolic regression (SR) is the process of discovering hidden relationships from data with mathematical expressions, which is considered an effective way to reach interpretable machine learning (ML). Genetic programming (GP) has been the…

Neural and Evolutionary Computing · Computer Science 2023-04-19 Peng Zeng , Xiaotian Song , Andrew Lensen , Yuwei Ou , Yanan Sun , Mengjie Zhang , Jiancheng Lv

Electroencephalography (EEG) is a widely used, non-invasive method for capturing brain activity, and is particularly relevant for applications in Brain-Computer Interfaces (BCI). However, collecting high-quality EEG data remains a major…

Signal Processing · Electrical Eng. & Systems 2025-10-22 Henrique de Lima Alexandre , Clodoaldo Aparecido de Moraes Lima

Starting with sets of disorganized observations of spatially varying and temporally evolving systems, obtained at different (also disorganized) sets of parameters, we demonstrate the data-driven derivation of parameter dependent,…

Dynamical Systems · Mathematics 2022-04-27 David W. Sroczynski , Felix P. Kemeth , Ronald R. Coifman , Ioannis G. Kevrekidis

Deep generative modeling has emerged as a powerful tool for synthesizing realistic medical images, driving advances in medical image analysis, disease diagnosis, and treatment planning. This chapter explores various deep generative models…

Image and Video Processing · Electrical Eng. & Systems 2024-10-24 Paul Friedrich , Yannik Frisch , Philippe C. Cattin

Motivated by the increasing abundance of data describing real-world networks that exhibit dynamical features, we propose an extension of the Exponential Random Graph Models (ERGMs) that accommodates the time variation of its parameters.…

Applications · Statistics 2024-10-17 Domenico Di Gangi , Giacomo Bormetti , Fabrizio Lillo

This study addresses the inverse problem of parameter estimation for Stochastic Differential Equations (SDEs) by minimizing a regularized discrepancy functional via Stochastic Gradient Descent (SGD). To achieve computational efficiency, we…

Machine Learning · Statistics 2026-03-31 Francisco Delgado-Vences , José Julián Pavón-Español , Arelly Ornelas

Energy-based models for discrete domains, such as graphs, explicitly capture relative likelihoods, naturally enabling composable probabilistic inference tasks like conditional generation or enforcing constraints at test-time. However,…

Dynamic networks are commonly used in applications where relational data is observed over time. Statistical models for such data should capture not only the temporal dependencies between networks observed in time, but also the structural…

Methodology · Statistics 2017-04-10 Jihui Lee , Gen Li , James D. Wilson

Unsupervised anomaly detection aims to identify anomalous samples from highly complex and unstructured data, which is pervasive in both fundamental research and industrial applications. However, most existing methods neglect the complex…

Machine Learning · Computer Science 2020-10-20 Haoyi Fan , Fengbin Zhang , Ruidong Wang , Liang Xi , Zuoyong Li

It is not uncommon that meta-heuristic algorithms contain some intrinsic parameters, the optimal configuration of which is crucial for achieving their peak performance. However, evaluating the effectiveness of a configuration is expensive,…

Neural and Evolutionary Computing · Computer Science 2019-02-01 Ke Li , Zilin Xiang , Kay Chen Tan

The edge partition model (EPM) is a generative model for extracting an overlapping community structure from static graph-structured data. In the EPM, the gamma process (GaP) prior is adopted to infer the appropriate number of latent…

Social and Information Networks · Computer Science 2024-03-04 Sikun Yang , Heinz Koeppl

We develop a framework for derivative Gaussian process latent variable models (DGP-LVMs) that can handle multi-dimensional output data using modified derivative covariance functions. The modifications account for complexities in the…

Methodology · Statistics 2025-06-10 Soham Mukherjee , Manfred Claassen , Paul-Christian Bürkner

The efficacy of Electroencephalogram (EEG) classifiers can be augmented by increasing the quantity of available data. In the case of geometric deep learning classifiers, the input consists of spatial covariance matrices derived from EEGs.…

Signal Processing · Electrical Eng. & Systems 2023-12-18 Ce Ju , Reinmar Josef Kobler , Cuntai Guan

Graph Neural Networks usually rely on the assumption that the graph topology is available to the network as well as optimal for the downstream task. Latent graph inference allows models to dynamically learn the intrinsic graph structure of…

Machine Learning · Computer Science 2023-06-28 Haitz Sáez de Ocáriz Borde , Anees Kazi , Federico Barbero , Pietro Liò

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao