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We propose and show the efficacy of a new method to address generic inverse problems. Inverse modeling is the task whereby one seeks to determine the control parameters of a natural system that produce a given set of observed measurements.…

Machine Learning · Computer Science 2023-08-15 Gregory P. Spell , Simiao Ren , Leslie M. Collins , Jordan M. Malof

Dynamical models underpin our ability to understand and predict the behavior of natural systems. Whether dynamical models are developed from first-principles derivations or from observational data, they are predicated on our choice of state…

Machine Learning · Computer Science 2023-01-11 Daniel Floryan , Michael D. Graham

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

Machine Learning · Computer Science 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Generative moment matching network (GMMN) is a deep generative model that differs from Generative Adversarial Network (GAN) by replacing the discriminator in GAN with a two-sample test based on kernel maximum mean discrepancy (MMD).…

Machine Learning · Computer Science 2017-11-28 Chun-Liang Li , Wei-Cheng Chang , Yu Cheng , Yiming Yang , Barnabás Póczos

\textit{Graph neural networks} (GNNs) are effective models for many dynamical systems consisting of entities and relations. Although most GNN applications assume a single type of entity and relation, many situations involve multiple types…

Machine Learning · Computer Science 2023-10-12 Ferran Alet , Erica Weng , Tomás Lozano Pérez , Leslie Pack Kaelbling

Modern generative modeling methods have demonstrated strong performance in learning complex data distributions from clean samples. In many scientific and imaging applications, however, clean samples are unavailable, and only noisy or…

Machine Learning · Computer Science 2026-05-29 Willem Diepeveen , Oscar Leong

For embodied agents to infer representations of the underlying 3D physical world they inhabit, they should efficiently combine multisensory cues from numerous trials, e.g., by looking at and touching objects. Despite its importance,…

Machine Learning · Computer Science 2019-11-11 Jae Hyun Lim , Pedro O. Pinheiro , Negar Rostamzadeh , Christopher Pal , Sungjin Ahn

Graph Neural Networks (GNNs) are known to match the distinguishing power of the 1-Weisfeiler-Lehman (1-WL) test, and the resulting partitions coincide with the unfolding tree equivalence classes of graphs. Preserving this equivalence, GNNs…

Machine Learning · Computer Science 2025-08-26 Silvia Beddar-Wiesing , Alice Moallemy-Oureh

In a number of disciplines, the data (e.g., graphs, manifolds) to be analyzed are non-Euclidean in nature. Geometric deep learning corresponds to techniques that generalize deep neural network models to such non-Euclidean spaces. Several…

Visual data such as videos are often sampled from complex manifold. We propose leveraging the manifold structure to constrain the deep action feature learning, thereby minimizing the intra-class variations in the feature space and…

Computer Vision and Pattern Recognition · Computer Science 2017-05-10 Ce Li , Chen Chen , Baochang Zhang , Qixiang Ye , Jungong Han , Rongrong Ji

Deep neural networks (DNNs) have shown much empirical success in solving perceptual tasks across various cognitive modalities. While they are only loosely inspired by the biological brain, recent studies report considerable similarities…

Computation and Language · Computer Science 2020-07-10 Jonathan Mamou , Hang Le , Miguel Del Rio , Cory Stephenson , Hanlin Tang , Yoon Kim , SueYeon Chung

Geometric deep learning has gained much attention in recent years due to more available data acquired from non-Euclidean domains. Some examples include point clouds for 3D models and wireless sensor networks in communications. Graphs are…

Signal Processing · Electrical Eng. & Systems 2022-10-04 Zhiyang Wang , Luana Ruiz , Alejandro Ribeiro

Neural samplers such as variational autoencoders (VAEs) or generative adversarial networks (GANs) approximate distributions by transforming samples from a simple random source---the latent space---to samples from a more complex distribution…

Machine Learning · Statistics 2018-02-09 Nutan Chen , Alexej Klushyn , Richard Kurle , Xueyan Jiang , Justin Bayer , Patrick van der Smagt

Inferring synaptic connectivity from neural population activity is a fundamental challenge in computational neuroscience, complicated by partial observability and mismatches between inference models and true circuit dynamics. In this study,…

Neurons and Cognition · Quantitative Biology 2025-10-28 Kijung Yoon

Graph neural networks (GNNs) have emerged as a powerful tool for effectively mining and learning from graph-structured data, with applications spanning numerous domains. However, most research focuses on static graphs, neglecting the…

Machine Learning · Computer Science 2024-04-30 Yanping Zheng , Lu Yi , Zhewei Wei

In order to better understand manifold neural networks (MNNs), we introduce Manifold Filter-Combine Networks (MFCNs). Our filter-combine framework parallels the popular aggregate-combine paradigm for graph neural networks (GNNs) and…

Graph neural networks (GNNs) have demonstrated their effectiveness in various tasks supported by their generalization capabilities. However, the current analysis of GNN generalization relies on the assumption that training and testing data…

Machine Learning · Computer Science 2024-09-11 Zhiyang Wang , Juan Cervino , Alejandro Ribeiro

Gene regulatory networks (GRNs) control cellular function and decision making during tissue development and homeostasis. Mathematical tools based on dynamical systems theory are often used to model these networks, but the size and…

Molecular Networks · Quantitative Biology 2018-03-16 Edgar Herrera-Delgado , Ruben Perez-Carrasco , James Briscoe , Peter Sollich

Likelihood-based, or explicit, deep generative models use neural networks to construct flexible high-dimensional densities. This formulation directly contradicts the manifold hypothesis, which states that observed data lies on a…

Machine Learning · Statistics 2022-11-30 Gabriel Loaiza-Ganem , Brendan Leigh Ross , Jesse C. Cresswell , Anthony L. Caterini