Related papers: Efficiency of Generalized Regular k-point Grids
This paper is concerned with the design and analysis of symmetric low-regularity integrators for the semilinear Klein-Gordon equation. We first propose a general symmetrization procedure that allows for the systematic construction of…
We recently introduced an efficient methodology to perform density-corrected Hartree-Fock density functional theory (DC(HF)-DFT) calculations and an extension to it we called "corrected" HF DFT (C(HF)-DFT). In this work, we take a further…
We introduce a novel and efficient sampling algorithm for the Multiplicative Attribute Graph Model (MAGM - Kim and Leskovec (2010)}). Our algorithm is \emph{strictly} more efficient than the algorithm proposed by Yun and Vishwanathan…
The graph Fourier transform (GFT) is an important tool for graph signal processing, with applications ranging from graph-based image processing to spectral clustering. However, unlike the discrete Fourier transform, the GFT typically does…
We generalize the interpolative separable density fitting (ISDF) method, used for compressing the four-index electron repulsion integral (ERI) tensor, to incorporate adaptive real space grids for potentially highly localized single-particle…
Most of the new technological changes in power systems are expected to take place in distribution grids. The enormous potential for distribution flexibility could meet the transmission system's needs, changing the paradigm of…
The well-known discrete Fourier transform (DFT) can easily be generalized to arbitrary nodes in the spatial domain. The fast procedure for this generalization is referred to as nonequispaced fast Fourier transform (NFFT). Various…
General matrix multiplication (GEMM) operations are the fundamental building blocks of computational domains including artificial intelligence (AI). As GPU architectures evolve and high-performance AI becomes increasingly important,…
The FC-Gram algorithm approximates non-periodic functions to high order by constructing a periodic extension with controlled boundary behavior and applying trigonometric interpolation. In this paper we introduce a generalized FC-Gram…
We introduce Eff-GRot, an approach for efficient and generalizable rotation estimation from RGB images. Given a query image and a set of reference images with known orientations, our method directly predicts the object's rotation in a…
In $k$-hypergraph matching, we are given a collection of sets of size at most $k$, each with an associated weight, and we seek a maximum-weight subcollection whose sets are pairwise disjoint. More generally, in $k$-hypergraph $b$-matching,…
Graph convolutional networks (GCNs) have been employed as a kind of significant tool on many graph-based applications recently. Inspired by convolutional neural networks (CNNs), GCNs generate the embeddings of nodes by aggregating the…
Recent advances in multi-fingered robotic grasping have enabled fast 6-Degrees-Of-Freedom (DOF) single object grasping. Multi-finger grasping in cluttered scenes, on the other hand, remains mostly unexplored due to the added difficulty of…
This paper develops fast graph Fourier transform (GFT) algorithms with O(n log n) runtime complexity for rank-one updates of the path graph. We first show that several commonly-used audio and video coding transforms belong to this class of…
We propose an efficient framework that integrates distance-aware multi-hop message passing with dynamic topology refinement. Unlike standard GNNs that rely on shallow, fixed-hop aggregation, DRTR leverages both static preprocessing and…
Mean shift (MS) algorithms are popular methods for mode finding in pattern analysis. Each MS algorithm can be phrased as a fixed-point iteration scheme, which operates on a kernel density estimate (KDE) based on some data. The ability of an…
The graph Laplacian is a standard tool in data science, machine learning, and image processing. The corresponding matrix inherits the complex structure of the underlying network and is in certain applications densely populated. This makes…
We analyze the methodology and the performance of subsystem density functional theory (DFT) with meta-generalized gradient approximation (meta-GGA) exchange-correlation functionals for non-bonded systems. Meta-GGA functionals depend on the…
LocalSGD and SCAFFOLD are widely used methods in distributed stochastic optimization, with numerous applications in machine learning, large-scale data processing, and federated learning. However, rigorously establishing their theoretical…
Gaussian Markov random fields (GMRFs) are frequently used as computationally efficient models in spatial statistics. Unfortunately, it has traditionally been difficult to link GMRFs with the more traditional Gaussian random field models as…