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In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…
Machine learning force fields possess unprecedented potential in achieving both accuracy and efficiency in molecular simulations. Nevertheless, their application in organic systems is often hindered by structural collapse during simulation…
Gaussian processes (GPs) have gained popularity as flexible machine learning models for regression and function approximation with an in-built method for uncertainty quantification. However, GPs suffer when the amount of training data is…
We study an informative path-planning problem where the goal is to minimize the time required to learn a spatially varying entity. We use Gaussian Process (GP) regression for learning the underlying field. Our goal is to ensure that the GP…
The simulation of discrete karst networks presents a significant challenge due to the complexity of the physicochemical processes occurring within various geological and hydrogeological contexts over extended periods. This complex interplay…
Granular impact -- the dynamic intrusion of solid objects into granular media -- is widespread across scientific and engineering applications including geotechnics. Existing approaches for simulating granular impact dynamics have relied on…
We describe a framework that can integrate prior physical information, e.g., the presence of kinematic constraints, to support data-driven simulation in multi-body dynamics. Unlike other approaches, e.g., Fully-connected Neural Network…
Numerical simulation of fluids plays an essential role in modeling many physical phenomena, such as weather, climate, aerodynamics and plasma physics. Fluids are well described by the Navier-Stokes equations, but solving these equations at…
Graph Neural Networks (GNNs) are a form of deep learning that enable a wide range of machine learning applications on graph-structured data. The learning of GNNs, however, is known to pose challenges for memory-constrained devices such as…
Musculoskeletal humanoids are robots that closely mimic the human musculoskeletal system, offering various advantages such as variable stiffness control, redundancy, and flexibility. However, their body structure is complex, and muscle…
The use of machine learning to represent subgrid-scale (SGS) dynamics is now well established in weather forecasting and climate modelling. Recent advances have demonstrated that SGS models trained via ``online'' end-to-end learning --…
The difficult problem of relating the static structure of glassy liquids and their dynamics is a good target for Machine Learning, an approach which excels at finding complex patterns hidden in data. Indeed, this approach is currently a hot…
Fluid flow simulation is a highly active area with applications in a wide range of engineering problems and interactive systems. Meshless methods like the Moving Particle Semi-implicit (MPS) are a great alternative to deal efficiently with…
Dislocation mobility, which dictates the response of dislocations to an applied stress, is a fundamental property of crystalline materials that governs the evolution of plastic deformation. Traditional approaches for deriving mobility laws…
Artificial intelligence is revolutionizing our lives at an ever increasing pace. At the heart of this revolution is the recent advancements in deep neural networks (DNN), learning to perform sophisticated, high-level tasks. However,…
Based on deep neural networks (DNNs), deep learning has been successfully applied to many problems, but its mechanism is still not well understood -- especially the reason why over-parametrized DNNs can generalize. A recent statistical…
The system design and algorithm development of mobile 3D printing robots need a realistic simulation. They require a mobile robot simulation platform to interoperate with a physics-based material simulation for handling interactions between…
Coarse-graining (CG) enables molecular dynamics (MD) simulations of larger systems and longer timescales that are otherwise infeasible with atomistic models. Machine learning potentials (MLPs), with their capacity to capture many-body…
Training large language models (LLMs) is often bottlenecked by extreme memory demands, with optimizer states dominating the footprint. Recent works mitigates this cost by projecting gradients into low-dimensional subspaces using…
Artificial neural networks (NNs) are one of the most frequently used machine learning approaches to construct interatomic potentials and enable efficient large-scale atomistic simulations with almost ab initio accuracy. However, the…