Related papers: A Data-Driven Approach to Coarse-Graining Simple L…

We introduce a general framework for constructing coarse-grained potential models without ad hoc approximations such as limiting the potential to two- and/or three-body contributions. The scheme, called Deep Coarse-Grained Potential…

In today's era of smart cyber-physical systems, Deep Neural Networks (DNNs) have become ubiquitous due to their state-of-the-art performance in complex real-world applications. The high computational complexity of these networks, which…

For the nonlinear Richards equation as an unsaturated flow through heterogeneous media, we build a new coarse-scale approximation algorithm utilizing numerical homogenization. This approach follows deep neural networks (DNNs) to quickly and…

Deep Neural Networks (DNNs) are applied in a wide range of usecases. There is an increased demand for deploying DNNs on devices that do not have abundant resources such as memory and computation units. Recently, network compression through…

The objective of unsupervised graph representation learning (GRL) is to learn a low-dimensional space of node embeddings that reflect the structure of a given unlabeled graph. Existing algorithms for this task rely on negative sampling…

The integration of artificial intelligence and science has resulted in substantial progress in computational chemistry methods for the design and discovery of novel catalysts. Nonetheless, the challenges of electrocatalytic reactions and…

We present a Graph Neural Network (GNN) that accurately simulates a multidisperse suspension of interacting spherical particles. Our machine learning framework is built upon the recent work of Sanchez-Gonzalez et al. ICML, PMLR, 119,…

Small-scale liquid flows on solid surfaces provide convincing details in liquid animation, but they are difficult to be simulated with efficiency and fidelity, mostly due to the complex nature of the surface tension at the contact front…

We propose a local modelling approach using deep convolutional neural networks (CNNs) for fine-grained image classification. Recently, deep CNNs trained from large datasets have considerably improved the performance of object recognition.…

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…

We study in this paper how to initialize the parameters of multinomial logistic regression (a fully connected layer followed with softmax and cross entropy loss), which is widely used in deep neural network (DNN) models for classification…

Recurrent neural networks (RNN) are the backbone of many text and speech applications. These architectures are typically made up of several computationally complex components such as; non-linear activation functions, normalization,…

Heterogeneous graph neural networks (GNNs) achieve strong performance on node classification tasks in a semi-supervised learning setting. However, as in the simpler homogeneous GNN case, message-passing-based heterogeneous GNNs may struggle…

Simulation of multiphase flow in porous media is crucial for the effective management of subsurface energy and environment related activities. The numerical simulators used for modeling such processes rely on spatial and temporal…

This paper introduces a deep learning-based super-resolution (SR) framework specifically developed for accurately reconstructing high-resolution velocity fields in two-way coupled particle-laden turbulent flows. Leveraging conditional…

In this paper, we propose an efficient and generalizable framework based on deep convolutional neural network (CNN) for multi-source remote sensing data joint classification. While recent methods are mostly based on multi-stream…

Coarse-grained (CG) models parameterized using atomistic reference data, i.e., 'bottom up' CG models, have proven useful in the study of biomolecules and other soft matter. However, the construction of highly accurate, low resolution CG…

The dynamics of droplet collisions in microchannels are inherently complex, governed by multiple interdependent physical and geometric factors. Understanding and predicting the outcomes of these collisions-whether coalescence, reverse-back,…

Predicting the spatiotemporal variation in streamflow along with uncertainty quantification enables decision-making for sustainable management of scarce water resources. Process-based hydrological models (aka physics-based models) are based…

Millimeter-wave (mmWave) multiple-input multiple-output (MIMO) communication with the advanced beamforming technologies is a key enabler to meet the growing demands of future mobile communication. However, the dynamic nature of cellular…