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In many data sets, crucial elements co-exist with non-essential ones and noise. For data represented as networks in particular, several methods have been proposed to extract a "network backbone", i.e., the set of most important links.…

Surrogate models provide compact relations between user-defined input parameters and output quantities of interest, enabling the efficient evaluation of complex parametric systems in many-query settings. Such capabilities are essential in a…

Physics-informed neural networks (NN) are an emerging technique to improve spatial resolution and enforce physical consistency of data from physics models or satellite observations. A super-resolution (SR) technique is explored to…

The spatiotemporal resolution of Partial Differential Equations (PDEs) plays important roles in the mathematical description of the world's physical phenomena. In general, scientists and engineers solve PDEs numerically by the use of…

We present a proof-of-concept study of the inverse problem of inferring neutron-star properties directly from the post-merger gravitational-wave spectrum of equal-mass binary neutron-star mergers. Using noise-free spectra from…

Learning-based simulators show great potential for simulating particle dynamics when 3D groundtruth is available, but per-particle correspondences are not always accessible. The development of neural rendering presents a new solution to…

Prior-Data Fitted Networks (PFNs) enable amortized Bayesian inference in a single forward pass, yet their internal representations remain opaque. It is unknown whether PFNs encode identifiable Bayesian structure or merely memorize…

Neural networks (NNs) are often used as surrogates or emulators of partial differential equations (PDEs) that describe the dynamics of complex systems. A virtually negligible computational cost of such surrogates renders them an attractive…

Accurate yet efficient surrogate models are essential for large-scale simulations of partial differential equations (PDEs), particularly for uncertainty quantification (UQ) tasks that demand hundreds or thousands of evaluations. We develop…

Kernel classifiers and regressors designed for structured data, such as sequences, trees and graphs, have significantly advanced a number of interdisciplinary areas such as computational biology and drug design. Typically, kernels are…

While complex simulations of physical systems have been widely used in engineering and scientific computing, lowering their often prohibitive computational requirements has only recently been tackled by deep learning approaches. In this…

Diffusion models have shown an impressive ability to model complex data distributions, with several key advantages over GANs, such as stable training, better coverage of the training distribution's modes, and the ability to solve inverse…

Inverse problems and, in particular, inferring unknown or latent parameters from data are ubiquitous in engineering simulations. A predominant viewpoint in identifying unknown parameters is Bayesian inference where both prior information…

Machine learning models can represent climate processes that are nonlocal in horizontal space, height, and time, often by combining information across these dimensions in highly nonlinear ways. While this can improve predictive skill, it…

Neural kernels have drastically increased performance on diverse and nonstandard data modalities but require significantly more compute, which previously limited their application to smaller datasets. In this work, we address this by…

Diffusion models have gained popularity in graph generation tasks; however, the extent of their expressivity concerning the graph distributions they can learn is not fully understood. Unlike models in other domains, popular backbones for…

Assessing the safety and environmental impacts of subsurface resource exploitation and management is critical and requires robust geomechanical modeling. However, uncertainties stemming from model assumptions, intrinsic variability of…

This paper presents the potential of applying physics-informed neural networks for solving nonlinear multiphysics problems, which are essential to many fields such as biomedical engineering, earthquake prediction, and underground energy…

We introduce propagation kernels, a general graph-kernel framework for efficiently measuring the similarity of structured data. Propagation kernels are based on monitoring how information spreads through a set of given graphs. They leverage…

The data-centric construction of inexpensive surrogates for fine-grained, physical models has been at the forefront of computational physics due to its significant utility in many-query tasks such as uncertainty quantification. Recent…