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Atomic partial charges are crucial parameters for Molecular Dynamics (MD) simulations, molecular mechanics calculations, and virtual screening, as they determine the electrostatic contributions to interaction energies. Current methods for…
\textbf{G}raph \textbf{C}onvolutional \textbf{N}etwork (\textbf{GCN}) is widely used in graph data learning tasks such as recommendation. However, when facing a large graph, the graph convolution is very computationally expensive thus is…
Accurate routing network status estimation is a key component in Software Defined Networking. However, existing deep-learning-based methods for modeling network routing are not able to extrapolate towards unseen feature distributions. Nor…
Level-sensitive latches are widely used in high- performance designs. For such circuits efficient statistical timing analysis algorithms are needed to take increasing process vari- ations into account. But existing methods solving this…
This work introduces NetDiff, an expressive graph denoising diffusion probabilistic architecture that generates wireless ad hoc network link topologies. Such networks, with directional antennas, can achieve unmatched performance when the…
While deep learning (DL) architectures like convolutional neural networks (CNNs) have enabled effective solutions in image denoising, in general their implementations overly rely on training data, lack interpretability, and require tuning…
Spectral graph convolutional neural networks (GCNNs) have been producing encouraging results in graph classification tasks. However, most spectral GCNNs utilize fixed graphs when aggregating node features, while omitting edge feature…
This paper proposes a novel heterogeneous grid convolution that builds a graph-based image representation by exploiting heterogeneity in the image content, enabling adaptive, efficient, and controllable computations in a convolutional…
We propose a nonparametric approach to link prediction in large-scale dynamic networks. Our model uses graph-based features of pairs of nodes as well as those of their local neighborhoods to predict whether those nodes will be linked at…
Transform coding to sparsify signal representations remains crucial in an image compression pipeline. While the Karhunen-Lo\`{e}ve transform (KLT) computed from an empirical covariance matrix $\bar{C}$ is theoretically optimal for a…
Graph Neural Networks (GNNs) have recently caught great attention and achieved significant progress in graph-level applications. In this paper, we propose a framework for graph neural networks with multiresolution Haar-like wavelets, or…
The application of the context-adaptive entropy model significantly improves the rate-distortion (R-D) performance, in which hyperpriors and autoregressive models are jointly utilized to effectively capture the spatial redundancy of the…
We address the problem of identifying a graph structure from the observation of signals defined on its nodes. Fundamentally, the unknown graph encodes direct relationships between signal elements, which we aim to recover from observable…
To leverage the full potential of quantum error-correcting stabilizer codes it is crucial to have an efficient and accurate decoder. Accurate, maximum likelihood, decoders are computationally very expensive whereas decoders based on more…
(Hyper)Graph decomposition is a family of problems that aim to break down large (hyper)graphs into smaller sub(hyper)graphs for easier analysis. The importance of this lies in its ability to enable efficient computation on large and complex…
In this paper, we aim at improving the computational efficiency of graph convolutional networks (GCNs) for learning on point clouds. The basic graph convolution that is typically composed of a $K$-nearest neighbor (KNN) search and a…
The k-nearest neighbors (kNN) algorithm is a cornerstone of non-parametric classification in artificial intelligence, yet its deployment in large-scale applications is persistently constrained by the computational trade-off between…
Generalized from image and language translation, graph translation aims to generate a graph in the target domain by conditioning an input graph in the source domain. This promising topic has attracted fast-increasing attention recently.…
Spectral-based graph neural networks (SGNNs) have been attracting increasing attention in graph representation learning. However, existing SGNNs are limited in implementing graph filters with rigid transforms (e.g., graph Fourier or…
Predicting molecular conformations (or 3D structures) from molecular graphs is a fundamental problem in many applications. Most existing approaches are usually divided into two steps by first predicting the distances between atoms and then…