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The complexity of condensed matter arises from emergent behaviors that cannot be understood by analyzing individual constituents in isolation. While traditional condensed-matter approaches-developed primarily for ideal crystalline…

To improve predictive models for STEM applications, supplemental physics-based features computed from input parameters are introduced into single and multiple layers of a deep neural network (DNN). While many studies focus on informing DNNs…

Hypergraph neural networks (HGNN) have recently become attractive and received significant attention due to their excellent performance in various domains. However, most existing HGNNs rely on first-order approximations of hypergraph…

The utilization of Deep Neural Networks (DNNs) in physical science and engineering applications has gained traction due to their capacity to learn intricate functions. While large datasets are crucial for training DNN models in fields like…

Developing robust representations of chemical structures that enable models to learn topological inductive biases is challenging. In this manuscript, we present a representation of atomistic systems. We begin by proving that our…

Hyperuniformity refers to the suppression of density fluctuations at large scales. Typical for ordered systems, this property also emerges in several disordered physical and biological systems, where it is particularly relevant to…

Convolutional neural networks (CNN's) are powerful and widely used tools. However, their interpretability is far from ideal. One such shortcoming is the difficulty of deducing a network's ability to generalize to unseen data. We use…

This study presents a novel physics-informed neural network (PINN) framework for modeling poroelasticity in heterogeneous media with material interfaces. The approach introduces a composite neural network (CoNN) where separate neural…

We present an algorithm to determine topological invariants of inhomogeneous systems, such as alloys, disordered crystals, or amorphous systems. Based on the kernel polynomial method, our algorithm allows us to study samples with more than…

Molecular interactions have widely been modelled as networks. The local wiring patterns around molecules in molecular networks are linked with their biological functions. However, networks model only pairwise interactions between molecules…

In biology, predicting RNA secondary structures plays a vital role in determining its physical and chemical properties. Although we have powerful energy models to predict them as well as parametric analysis to understand the models…

The plug-and-play (PnP) method uses a deep denoiser within a proximal algorithm for model-based image reconstruction (IR). Unlike end-to-end IR, PnP allows the same pretrained denoiser to be used across different imaging tasks, without the…

Probe-level models have led to improved performance in microarray studies but the various sources of probe-level contamination are still poorly understood. Data-driven analysis of probe performance can be used to quantify the uncertainty in…

Hypercomplex signal processing (HSP) offers powerful tools for analyzing and processing multidimensional signals by explicitly exploiting inter-dimensional correlations through Clifford algebra. In recent years, hypercomplex formulations of…

Neural networks (NNs) are inherently multidimensional classifiers that learn complex, non-linear relationships among input observables. While their flexibility enables unprecedented performance in high-energy physics (HEP) analyses, it also…

We solve a longstanding problem--determining structural information for disordered materials from their diffraction spectra--for the case of planar disorder in close-packed structures (CPSs). Our solution offers the most complete possible…

This study takes advantage of recent advances in machine learning to establish a physics-based data analytic platform for distributed reconstruction of mechanical properties in layered components from full waveform data. In this vein, two…

Physics-Informed Neural Networks (PINNs) show significant potential for solving inverse problems, especially when observations are limited and sparse, provided that the relevant physical equations are known. We use PINNs to estimate smooth…

Progress in functional materials discovery has been accelerated by advances in high throughput materials synthesis and by the development of high-throughput computation. However, a complementary robust and high throughput structural…

Model-based robust control requires not only accurate nominal models but also systematic uncertainty representations to guarantee stability and performance. However, constructing polytopic uncertainty models typically demands multiple…