Related papers: SPIN-ODE: Stiff Physics-Informed Neural ODE for Ch…

In astrophysics, solving complex chemical reaction networks is essential but computationally demanding due to the high dimensionality and stiffness of the ODE systems. Traditional approaches for reducing computational load are often…

The problem of training spiking neural networks (SNNs) is a necessary precondition to understanding computations within the brain, a field still in its infancy. Previous work has shown that supervised learning in multi-layer SNNs enables…

Partial differential equations (PDEs) are an essential computational kernel in physics and engineering. With the advance of deep learning, physics-informed neural networks (PINNs), as a mesh-free method, have shown great potential for fast…

Finite element analysis (FEA) has been widely used to generate simulations of complex and nonlinear systems. Despite its strength and accuracy, the limitations of FEA can be summarized into two aspects: a) running high-fidelity FEA often…

Analysis of large continuous-time stochastic systems is a computationally intensive task. In this work we focus on population models arising from chemical reaction networks (CRNs), which play a fundamental role in analysis and design of…

Multi-dimensional direct numerical simulation (DNS) of the Schr\"odinger equation is needed for design and analysis of quantum nanostructures that offer numerous applications in biology, medicine, materials, electronic/photonic devices,…

Tin (Sn) plays a crucial role in studying the dynamic mechanical responses of ductile metals under shock loading. Atomistic simulations serves to unveil the nano-scale mechanisms for critical behaviors of dynamic responses. However,…

In this paper, we propose an optimization-based sparse learning approach to identify the set of most influential reactions in a chemical reaction network. This reduced set of reactions is then employed to construct a reduced chemical…

The neural Ordinary Differential Equation (ODE) model has shown success in learning complex continuous-time processes from observations on discrete time stamps. In this work, we consider the modeling and forecasting of time series data that…

Galaxy formation and evolution critically depend on understanding the complex photo-chemical processes that govern the evolution and thermodynamics of the InterStellar Medium (ISM). Computationally, solving chemistry is among the most heavy…

Accurate modeling of personalized cardiovascular dynamics is crucial for non-invasive monitoring and therapy planning. State-of-the-art physics-informed neural network (PINN) approaches employ deep, multi-branch architectures with…

Inferring chemical reaction networks (CRN) from concentration time series is a challenge encouragedby the growing availability of quantitative temporal data at the cellular level. This motivates thedesign of algorithms to infer the…

Motivation: A Chemical Reaction Network (CRN) is a set of chemical reactions, which can be very complex and difficult to analyze. Indeed, dynamical properties of CRNs can be described by a set of non-linear differential equations that…

Multiscale stochastic dynamical systems have been widely adopted to a variety of scientific and engineering problems due to their capability of depicting complex phenomena in many real world applications. This work is devoted to…

Spiking neural networks (SNNs) have gained prominence for their potential in neuromorphic computing and energy-efficient artificial intelligence, yet optimizing them remains a formidable challenge for gradient-based methods due to their…

Stochastic differential equations (SDE) often exhibit large random transitions. This property, which we denote as pathwise stiffness, causes transient bursts of stiffness which limit the allowed step size for common fixed time step explicit…

Accumulated detailed knowledge about the neuronal activities in human brains has brought more attention to bio-inspired spiking neural networks (SNNs). In contrast to non-spiking deep neural networks (DNNs), SNNs can encode and transmit…

We propose a Spiking Neural Network (SNN)-based explicit numerical scheme for long time integration of time-dependent Ordinary and Partial Differential Equations (ODEs, PDEs). The core element of the method is a SNN, trained to use…

Efficient chemical kinetic model inference and application in combustion are challenging due to large ODE systems and widely separated time scales. Machine learning techniques have been proposed to streamline these models, though strong…

Geometry optimization is an important part of both computational materials and surface science because it is the path to finding ground state atomic structures and reaction pathways. These properties are used in the estimation of…