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Machine-learned interatomic potentials (MLIPs), particularly graph neural network (GNN)-based models, offer a promising route to achieving near-density functional theory (DFT) accuracy at significantly reduced computational cost. However,…
Understanding ion relaxation dynamics in overlapping electric double layers (EDLs) is critical for the development of efficient nanotechnology based electrochemical energy storage, electrochemomechanical energy conversion and…
We study the prediction of the Effective Field Theory of Large Scale Structures (EFTofLSS) for the matter power spectrum at different redshifts. In previous work, we found that the two-loop prediction can match the nonlinear power spectrum…
Autoregressive language models execute Transformer layers sequentially, creating a latency bottleneck that is not removed by conventional tensor or pipeline parallelism. We study whether this layerwise dependency can be relaxed by treating…
In this paper, we study adaptive neuron enhancement (ANE) method for solving self-adjoint second-order elliptic partial differential equations (PDEs). The ANE method is a self-adaptive method generating a two-layer spline NN and a numerical…
The human brain functions very differently from artificial neural networks (ANN) and possesses unique features that are absent in ANN. An important one among them is "adaptive synaptogenesis" that modifies synaptic weights when needed to…
Deep neural network (DNN) deployment has been confined to larger hardware devices due to their expensive computational requirements. This challenge has recently reached another scale with the emergence of large language models (LLMs). In…
Developing strong AI signifies the arrival of technological singularity, contributing greatly to advancing human civilization and resolving social issues. Neural networks (NNs) and deep learning, which utilize NNs, are expected to lead to…
We introduce a computational method and a user-friendly code with a terminal-based graphical user interface (GUI), named ElATools, developed to analyze mechanical and anisotropic elastic properties. ElATools enables facile analysis of the…
Discovering atom-level phenomena requires molecular dynamics (MD) simulations with ab initio accuracy. Machine learning interatomic potentials (MLIPs) enable stable, high-accuracy MD simulations, and their models exhibit scaling-law trends…
In an effort to compete with the brain's efficiency at processing information, neuromorphic hardware combines artificial synapses and neurons using mixed-signal circuits and emerging memories. In ferroelectric resistive weights, the…
In wide-area measurement systems (WAMS), phasor measurement unit (PMU) measurement is prone to data missingness due to hardware failures, communication delays, and cyber-attacks. Existing data-driven methods are limited by inadaptability to…
Memristor-based in-memory computing has emerged as a promising paradigm to overcome the constraints of the von Neumann bottleneck and the memory wall by enabling fully parallelisable and energy-efficient vector-matrix multiplications. We…
Conventional techniques for imposing monotonicity in MLPs by construction involve the use of non-negative weight constraints and bounded activation functions, which pose well-known optimization challenges. In this work, we generalize…
The memristive crossbar aims to implement analog weighted neural network, however, the realistic implementation of such crossbar arrays is not possible due to limited switching states of memristive devices. In this work, we propose the…
Artificial Neural Networks (ANNs) suffer from catastrophic forgetting, where the learning of new tasks causes the catastrophic forgetting of old tasks. Existing Machine Learning (ML) algorithms, including those using Stochastic Gradient…
Physical neural networks typically train linear synaptic weights while treating device nonlinearities as fixed. We show the opposite - by training the synaptic nonlinearity itself, as in Kolmogorov-Arnold Network (KAN) architectures, we…
This study evaluates the efficacy of two machine learning (ML) techniques, namely artificial neural networks (ANN) and gene expression programming (GEP) that use data-driven modeling to predict wall pressure spectra (WPS) underneath…
We show that in addition to providing effective and competitive closures, when analysed in terms of dynamics and physically-relevant diagnostics, artificial neural networks (ANNs) can be both interpretable and provide useful insights in the…
Metalearning of deep neural network (DNN) architectures and hyperparameters has become an increasingly important area of research. At the same time, network regularization has been recognized as a crucial dimension to effective training of…