相关论文: Learning Pair Potentials using Differentiable Simu…

There exist methods for determining effective conservative interactions in coarse grained particle based mesoscopic simulations. The resulting models can be used to capture thermal equilibrium behavior, but in the model system we study do…

Stochastic neural networks are a prototypical computational device able to build a probabilistic representation of an ensemble of external stimuli. Building on the relationship between inference and learning, we derive a synaptic plasticity…

Recent works have shown that diffusion models can learn essentially any distribution provided one can perform score estimation. Yet it remains poorly understood under what settings score estimation is possible, let alone when practical…

Diffusion models have recently emerged as powerful tools for missing data imputation by modeling the joint distribution of observed and unobserved variables. However, existing methods, typically based on stochastic denoising diffusion…

A new pairwise hybrid machine-learning/molecular mechanics (ML/MM) potential is introduced that is conceived for application to large, heterogeneous condensed-phase systems. The PhysNet ML method describes monomers and short-range dimer…

State-space models are a popular statistical framework for analysing sequential data. Within this framework, particle filters are often used to perform inference on non-linear state-space models. We introduce a new method, StateMixNN, that…

Mathematical models for complex systems are often accompanied with uncertainties. The goal of this paper is to extract a stochastic differential equation governing model with observation on stationary probability distributions. We develop a…

Mutual learning is an ensemble training strategy to improve generalization by transferring individual knowledge to each other while simultaneously training multiple models. In this work, we propose an effective mutual learning method for…

Single-particle traces of the diffusive motion of molecules, cells, or animals are by-now routinely measured, similar to stochastic records of stock prices or weather data. Deciphering the stochastic mechanism behind the recorded dynamics…

In molecular dynamics (MD), neural network (NN) potentials trained bottom-up on quantum mechanical data have seen tremendous success recently. Top-down approaches that learn NN potentials directly from experimental data have received less…

Remote sensing change detection is crucial for understanding the dynamics of our planet's surface, facilitating the monitoring of environmental changes, evaluating human impact, predicting future trends, and supporting decision-making. In…

Dissipative Particle Dynamics (DPD) is a popular simulation model for investigating hydrodynamic behavior of systems with non-negligible equilibrium thermal fluctuations. DPD employs soft core repulsive interactions between the system…

Differential ML (Huge and Savine 2020) is a technique for training neural networks to provide fast approximations to complex simulation-based models for derivatives pricing and risk management. It uses price sensitivities calculated through…

Stochastic differential equations provide a powerful tool for modelling dynamic phenomena affected by random noise. In case of repeated observations of time series for several experimental units, it is often the case that some of the…

In this paper, a novel approach is proposed for learning robot control in contact-rich tasks such as wiping, by developing Diffusion Contact Model (DCM). Previous methods of learning such tasks relied on impedance control with time-varying…

Collisional and stochastic wave-particle dynamics in plasmas far from equilibrium are complex, temporally evolving, stochastic processes which are challenging to model. In this work, we extend previous methods coupling differentiable…

In this work, we aimed to replicate and extend the results presented in the DiffFluid paper[1]. The DiffFluid model showed that diffusion models combined with Transformers are capable of predicting fluid dynamics. It uses a denoising…

Machine learning (ML) methods provide advanced means for understanding inherent patterns within large and complex datasets. Here, we employ the principal component analysis (PCA) and the diffusion map (DM) techniques to evaluate the glass…

In this paper, conditional denoising diffusion probabilistic models (DDPMs) are proposed to enhance the data transmission and reconstruction over wireless channels. The underlying mechanism of DDPM is to decompose the data generation…

Codistillation has been proposed as a mechanism to share knowledge among concurrently trained models by encouraging them to represent the same function through an auxiliary loss. This contrasts with the more commonly used fully-synchronous…