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While standard computational protocols for density functional theory (DFT) have universal applicability, differences exist in code implementations. Specific applications require manual parameter optimization, whereas high-throughput…

Materials Science · Physics 2025-08-12 Chenxi Lu , Musen Li , Jeffrey R. Reimers

The convergence speed of stochastic gradient descent (SGD) can be improved by actively selecting mini-batches. We explore sampling schemes where similar data points are less likely to be selected in the same mini-batch. In particular, we…

Machine Learning · Statistics 2018-06-21 Cheng Zhang , Cengiz Öztireli , Stephan Mandt , Giampiero Salvi

We propose an efficient algorithm for the evaluation of the potential and its gradient of gravitational/electrostatic $N$-body systems, which we call particle mesh multipole method (PMMM or PM$^3$). PMMM can be understood both as an…

Instrumentation and Methods for Astrophysics · Physics 2014-10-20 Keigo Nitadori

Mixup is a popular regularization technique for training deep neural networks that improves generalization and increases robustness to certain distribution shifts. It perturbs input training data in the direction of other randomly-chosen…

Machine Learning · Computer Science 2023-10-10 Kristjan Greenewald , Anming Gu , Mikhail Yurochkin , Justin Solomon , Edward Chien

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…

Robotics · Computer Science 2025-01-09 Jens Lundell , Francesco Verdoja , Ville Kyrki

Kinodynamic motion planning for non-holomonic mobile robots is a challenging problem that is lacking a universal solution. One of the computationally efficient ways to solve it is to build a geometric path first and then transform this path…

Robotics · Computer Science 2021-08-17 Brian Angulo , Konstantin Yakovlev , Ivan Radionov

We propose simple yet effective improvements in point representations and local neighborhood graph construction within the general framework of graph neural networks (GNNs) for 3D point cloud processing. As a first contribution, we propose…

Computer Vision and Pattern Recognition · Computer Science 2021-03-30 Siddharth Srivastava , Gaurav Sharma

We propose a particle-based distributed PHD filter for tracking an unknown, time-varying number of targets. To reduce communication, the local PHD filters at neighboring sensors communicate Gaussian mixture (GM) parameters. In contrast to…

Systems and Control · Computer Science 2021-04-21 Tiancheng Li , Franz Hlawatsch

We study a discrete version of a geometric stable marriage problem originally proposed in a continuous setting by Hoffman, Holroyd, and Peres, in which points in the plane are stably matched to cluster centers, as prioritized by their…

Data Structures and Algorithms · Computer Science 2017-04-10 David Eppstein , Michael T. Goodrich , Nil Mamano

We present efficient realization of Generalized Givens Rotation (GGR) based QR factorization that achieves 3-100x better performance in terms of Gflops/watt over state-of-the-art realizations on multicore, and General Purpose Graphics…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-26 Farhad Merchant , Tarun Vatwani , Anupam Chattopadhyay , Soumyendu Raha , S K Nandy , Ranjani Narayan , Rainer Leupers

Recent studies suggest utilizing generative models instead of traditional auto-regressive algorithms for time series forecasting (TSF) tasks. These non-auto-regressive approaches involving different generative methods, including GAN,…

Machine Learning · Computer Science 2025-03-19 Jiangxuan Long , Zhao Song , Chiwun Yang

Optimization problem, which is aimed at finding the global minimal value of a given cost function, is one of the central problem in science and engineering. Various numerical methods have been proposed to solve this problem, among which the…

Optimization and Control · Mathematics 2022-10-07 Shaojun Dong , Fengyu Le , Meng Zhang , Si-Jing Tao , Chao Wang , Yong-Jian Han , Guo-Ping Guo

Tracking non-stationary covariance matrices is fundamental to vision yet hindered by existing estimators that either neglect manifold constraints or rely on first-order updates, incurring inevitable phase lag during rapid evolution. We…

Computer Vision and Pattern Recognition · Computer Science 2026-03-23 ZhiMing Li

In this letter, we formulate a generalized decision fusion problem (GDFP) for sensing with centralized hard decision fusion. We show that various new and existing decision fusion rules are special cases of the proposed GDFP. We then relate…

Information Theory · Computer Science 2017-07-27 Fayazur Rahaman Mohammad , Zafar Ali Khan Mohammed

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…

Computation · Statistics 2017-03-14 Hien D Nguyen

We introduce a framework and early results for massively scalable Gaussian processes (MSGP), significantly extending the KISS-GP approach of Wilson and Nickisch (2015). The MSGP framework enables the use of Gaussian processes (GPs) on…

Machine Learning · Computer Science 2015-11-06 Andrew Gordon Wilson , Christoph Dann , Hannes Nickisch

Granular-ball computing is an efficient, robust, and scalable learning method for granular computing. The basis of granular-ball computing is the granular-ball generation method. This paper proposes a method for accelerating the…

Machine Learning · Computer Science 2022-07-22 Shuyin Xia , Xiaochuan Dai , Guoyin Wang , Xinbo Gao , Elisabeth Giem

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…

Systems and Control · Electrical Eng. & Systems 2021-07-06 Luis Lopez , Alvaro Gonzalez-Castellanos , David Pozo , Mardavij Roozbehani , Munther Dahleh

In geostatistics, traditional spatial models often rely on the Gaussian Process (GP) to fit stationary covariances to data. It is well known that this approach becomes computationally infeasible when dealing with large data volumes,…

Computation · Statistics 2024-09-17 Antony Sikorski , Daniel McKenzie , Douglas Nychka

A regularized version of Mixture Models is proposed to learn a principal graph from a distribution of $D$-dimensional data points. In the particular case of manifold learning for ridge detection, we assume that the underlying manifold can…

Machine Learning · Computer Science 2023-07-13 Tony Bonnaire , Aurélien Decelle , Nabila Aghanim