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Deploying a large language model (LLM) inference service remains costly because centralized serving depends on specialized GPU clusters and high-bandwidth interconnects in datacenters. An appealing alternative is to leverage collaborative…
The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale…
This paper considers flow problems in multiscale heterogeneous porous media. The multiscale nature of the modeled process significantly complicates numerical simulations due to the need to compute huge and ill-conditioned sparse matrices,…
Combustion kinetic modeling is an integral part of combustion simulation, and extensive studies have been devoted to developing both high fidelity and computationally affordable models. Despite these efforts, modeling combustion kinetics is…
Recent advances in text-to-motion generation using diffusion and autoregressive models have shown promising results. However, these models often suffer from a trade-off between real-time performance, high fidelity, and motion editability.…
Coarse-grained modeling and efficient computer simulations are critical to the study of complex molecular processes with many degrees of freedom and multiple spatiotemporal scales. Variational implicit-solvent model (VISM) for biomolecular…
Population balance equation (PBE) models have potential to automate many engineering processes with far-reaching implications. In the pharmaceutical sector, crystallization model-based design can contribute to shortening excessive drug…
This master thesis introduces the idea of dynamic cutoffs in molecular dynamics simulations, based on the distance between particles and the interface, and presents a solution for detecting interfaces in real-time. Our dynamic cutoff method…
We present Jade, a differentiable physics engine for articulated rigid bodies. Jade models contacts as the Linear Complementarity Problem (LCP). Compared to existing differentiable simulations, Jade offers features including…
We demonstrate a high-performance vendor-agnostic method for massively parallel solving of ensembles of ordinary differential equations (ODEs) and stochastic differential equations (SDEs) on GPUs. The method is integrated with a widely used…
Masked Diffusion Models (MDMs) have emerged as a promising approach for generative modeling in discrete spaces. By generating sequences in any order and allowing for parallel decoding, they enable fast inference and strong performance on…
Meshfree simulation methods are emerging as compelling alternatives to conventional mesh-based approaches, particularly in the fields of Computational Fluid Dynamics (CFD) and continuum mechanics. In this publication, we provide a…
We present an application of Physics-Informed Neural Networks to handle MultiPhase-Field simulations of microstructure evolution. It has been showcased that a combination of optimization techniques extended and adapted from the PINNs…
We propose a novel probabilistic framework, termed LVM-GP, for uncertainty quantification in solving forward and inverse partial differential equations (PDEs) with noisy data. The core idea is to construct a stochastic mapping from the…
Avoiding over-pressurization in subsurface reservoirs is critical for applications like CO2 sequestration and wastewater injection. Managing the pressures by controlling injection/extraction are challenging because of complex heterogeneity…
We present RUBIX, a fully tested, well-documented, and modular Open Source tool developed in JAX, designed to forward model IFU cubes of galaxies from cosmological hydrodynamical simulations. The code automatically parallelizes computations…
We present a fast, differentiable, GPU-accelerated optimization method for ray path tracing in environments containing planar reflectors and straight diffraction edges. Based on Fermat's principle, our approach reformulates the path-finding…
This letter describes an incremental multimodal surface mapping methodology, which represents the environment as a continuous probabilistic model. This model enables high-resolution reconstruction while simultaneously compressing spatial…
Elliptic Partial Differential Equations (PDEs) play a central role in computing the equilibrium conditions of physical problems (heat, gravitation, electrostatics, etc.). Efficient solutions to elliptic PDEs are also relevant to computer…
In this paper we propose and test the validity of simple and easy-to-implement algorithms within the immersed boundary framework geared towards large scale simulations involving thousands of deformable bodies in highly turbulent flows.…