Related papers: An Efficient Algorithm for Upper Bound on the Part…
Computing Fourier transforms of k-sparse signals, where only k of N frequencies are non-zero, is fundamental in compressed sensing, radar, and medical imaging. While the Fast Fourier Transform (FFT) evaluates all N frequencies in $O(N \log…
We show how to represent sets in a linear space data structure such that expressions involving unions and intersections of sets can be computed in a worst-case efficient way. This problem has applications in e.g. information retrieval and…
Recently, a new trend of exploring sparsity for accelerating neural network training has emerged, embracing the paradigm of training on the edge. This paper proposes a novel Memory-Economic Sparse Training (MEST) framework targeting for…
The {\em maximum cardinality} and {\em maximum weight matching} problems can be solved in time $\tilde{O}(m\sqrt{n})$, a bound that has resisted improvement despite decades of research. (Here $m$ and $n$ are the number of edges and…
The absolute free energy -- or partition function, equivalently -- of a molecule can be estimated computationally using a suitable reference system. Here, we demonstrate a practical method for staging such calculations by growing a molecule…
Two kinds of approximation algorithms exist for the k-BALANCED PARTITIONING problem: those that are fast but compute unsatisfying approximation ratios, and those that guarantee high quality ratios but are slow. In this paper we prove that…
Accurate protein structure prediction from amino-acid sequences is critical to better understanding the protein function. Recent advances in this area largely benefit from more precise inter-residue distance and orientation predictions,…
We study the complexity of estimating the partition function $\mathsf{Z}(\beta)=\sum_{x\in\chi} e^{-\beta H(x)}$ for a Gibbs distribution characterized by the Hamiltonian $H(x)$. We provide a simple and natural lower bound for quantum…
Protein folding is one of the age-old biological problems that refers to the mechanism of understanding and predicting how a protein's linear sequence of amino acids folds into its specific three dimensional structure.This structure is…
We give new quantum algorithms for evaluating composed functions whose inputs may be shared between bottom-level gates. Let $f$ be an $m$-bit Boolean function and consider an $n$-bit function $F$ obtained by applying $f$ to conjunctions of…
Models of non-interacting fermions coupled to auxilliary classical degrees of freedom are relevant to the understanding of a wide variety of problems in many body physics, {\it e.g.} the description of manganites, diluted magnetic…
We consider a variant of the clustering problem for a complete weighted graph. The aim is to partition the nodes into clusters maximizing the sum of the edge weights within the clusters. This problem is known as the clique partitioning…
The current landscape of balanced graph partitioning is divided into high-quality but expensive multilevel algorithms and cheaper approaches with linear running time, such as single-level algorithms and streaming algorithms. We demonstrate…
We present algorithmic improvements to the loading operations of certain reduced data ensembles produced from neutron scattering experiments at Oak Ridge National Laboratory (ORNL) facilities. Ensembles from multiple measurements are…
The standard particle-in-cell algorithm suffers from grid heating. There exists a gridless alternative which bypasses the deposition step and calculates each Fourier mode of the charge density directly from the particle positions. We show…
Recent ensemble learning methods for image classification have been shown to improve classification accuracy with low extra cost. However, they still require multiple trained models for ensemble inference, which eventually becomes a…
Linear-scaling electronic-structure techniques, also called O(N) techniques, rely heavily on the multiplication of sparse matrices, where the sparsity arises from spatial cut-offs. In order to treat very large systems, the calculations must…
We introduce a method for predicting RNA folding pathways, with an application to the most important RNA tetraloops. The method is based on the idea that ensembles of three-dimensional fragments extracted from high-resolution crystal…
Determining the interaction strength between proteins and small molecules is key to analyzing their biological function. Quantum-mechanical calculations such as \emph{Density Functional Theory} (DFT) give accurate and theoretically…
This paper investigates an uplink non-orthogonal multiple access (NOMA)-based mobile-edge computing (MEC) network. Our objective is to minimize a linear combination of the completion time of all users' tasks and the total energy consumption…