Related papers: Coarse-grained spectral projection (CGSP): a deep …

We propose a probabilistic model for refining coarse-grained spatial data by utilizing auxiliary spatial data sets. Existing methods require that the spatial granularities of the auxiliary data sets are the same as the desired granularity…

The computational singular perturbation (CSP) method is an algorithm which iteratively approximates slow manifolds and fast fibers in multiple-timescale dynamical systems. Since its inception due to Lam and Goussis, the convergence of the…

Deep learning approaches to generic (non-semantic) segmentation have so far been indirect and relied on edge detection. This is in contrast to semantic segmentation, where DNNs are applied directly. We propose an alternative approach called…

Equivariant quantum neural networks (QNNs) are promising variational models that exploit symmetries to improve machine learning capabilities. Despite theoretical developments in equivariant QNNs, their implementation on near-term quantum…

Coarse-graining (CG) accelerates molecular simulations of protein dynamics by simulating sets of atoms as singular beads. Backmapping is the opposite operation of bringing lost atomistic details back from the CG representation. While…

A common task is the determination of system parameters from spectroscopy, where one compares the experimental spectrum with calculated spectra, that depend on the desired parameters. Here we discuss an approach based on a machine learning…

Modern clustering approaches often trade interpretability for performance, particularly in deep learning-based methods. We present Generative Kernel Spectral Clustering (GenKSC), a novel model combining kernel spectral clustering with…

Deep learning techniques have been successfully used in learning a common representation for multi-view data, wherein the different modalities are projected onto a common subspace. In a broader perspective, the techniques used to…

Statistical (machine learning) tools for equation discovery require large amounts of data that are typically computer generated rather than experimentally observed. Multiscale modeling and stochastic simulations are two areas where learning…

This paper puts forth a coarse grid projection (CGP) multiscale method to accelerate computations of quasigeostrophic (QG) models for large scale ocean circulation. These models require solving an elliptic sub-problem at each time step,…

We use an "equation-free", coarse-grained computational approach to accelerate molecular dynamics-based computations of demixing (segregation) of dissimilar particles subject to an upward gas flow (gas-fluidized beds). We explore the…

We study a coarse-graining map arising from incomplete and imperfect addressing of particles in a multipartite quantum system. In its simplest form, corresponding to a two-qubit state, the resulting channel produces a convex mixture of the…

In Deep Learning, a well-known approach for training a Deep Neural Network starts by training a generative Deep Belief Network model, typically using Contrastive Divergence (CD), then fine-tuning the weights using backpropagation or other…

Recent works have shown that exploiting multi-scale representations deeply learned via convolutional neural networks (CNN) is of tremendous importance for accurate contour detection. This paper presents a novel approach for predicting…

The large time and length scales and, not least, the vast number of particles involved in industrial-scale simulations inflate the computational costs of the Discrete Element Method (DEM) excessively. Coarse grain models can help to lower…

Resonances in open quantum systems depending on at least two controllable parameters can show the phenomenon of exceptional points (EPs), where not only the eigenvalues but also the eigenvectors of two or more resonances coalesce. Their…

Graph neural networks are often used to model interacting dynamical systems since they gracefully scale to systems with a varying and high number of agents. While there has been much progress made for deterministic interacting systems,…

World models simulate environment dynamics from raw sensory inputs like video. However, using them for planning can be challenging due to the vast and unstructured search space. We propose a robust and highly parallelizable planner that…

We study the problem of semi-supervised learning with Graph Neural Networks (GNNs) in an active learning setup. We propose GraphPart, a novel partition-based active learning approach for GNNs. GraphPart first splits the graph into disjoint…

Deep learning is typically performed by learning a neural network solely from data in the form of input-output pairs ignoring available domain knowledge. In this work, the Constraint Guided Gradient Descent (CGGD) framework is proposed that…