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In recent years, numerous vision and learning tasks have been (re)formulated as nonconvex and nonsmooth programmings(NNPs). Although some algorithms have been proposed for particular problems, designing fast and flexible optimization…

We present our recent code modernizations of the of the ab initio molecular dynamics program CPMD (www.cpmd.org) with a special focus on the ultra-soft pseudopotential (USPP) code path. Following the internal instrumentation of CPMD, all…

We describe the application of a scalable algorithm for interpolating solution data in the overlapping mesh region of two solvers. This feature is essential to obtain a globally consistent solution for in-situ coupled atmospheric wave…

This paper proposes a novel MAP inference framework for Markov Random Field (MRF) in parallel computing environments. The inference framework, dubbed Swarm Fusion, is a natural generalization of the Fusion Move method. Every thread (in a…

Dispersion-free ultra-high order FFT-based Maxwell solvers have recently proven to be paramount to a large range of applications, including the high-fidelity modeling of high-intensity laser-matter interactions with Particle-In-Cell (PIC)…

We establish the equivalence between the Multiscale Hybrid-Mixed (MHM) and the Multiscale Hybrid High-Order (MsHHO) methods for a variable diffusion problem with piecewise polynomial source term. Under the idealized assumption that the…

Modular robotics holds immense potential for space exploration, where reliability, repairability, and reusability are critical for cost-effective missions. Coordination between heterogeneous units is paramount for precision tasks -- whether…

We propose a simple iterative algorithm to construct the optimal multi-configuration approximation of an $N$-fermion wave function. That is, $M\geq N $ single-particle orbitals are sought iteratively so that the projection of the given wave…

The ability to timely process significant amounts of continuously updated spatial data is mandatory for an increasing number of applications. Parallelism enables such applications to face this data-intensive challenge and allows the devised…

Localized features such as singularities, sharp gradients, discontinuities, and moving sources require adaptive finite element discretizations. Conventional refinement strategies introduce significant computational overhead through…

This thesis surveys the research in patch-based synthesis and algorithms for finding correspondences between small local regions of images. We additionally explore a large kind of applications of this new fast randomized matching technique.…

This paper presents a mathematical model for the routing of multicommodity freight in an intermodal network under disruptions. A stochastic mixed-integer program was formulated to minimize not only operational costs of various modes and…

Massively-parallel graph algorithms have received extensive attention over the past decade, with research focusing on three memory regimes: the superlinear regime, the near-linear regime, and the sublinear regime. The sublinear regime is…

Semaphores are a widely used and foundational synchronization and coordination construct used for shared memory multithreaded programming. They are a keystone concept, in the sense that most other synchronization constructs can be…

Exotic behaviour of mechanical metamaterials often relies on an internal transformation of the underlying microstructure triggered by its local instabilities, rearrangements, and rotations. Depending on the presence and magnitude of such a…

Time series is a special type of sequence data, a sequence of real-valued random variables collected at even intervals of time. The real-world multivariate time series comes with noises and contains complicated local and global temporal…

Simulating physical problems involving multi-time scale coupling is challenging due to the need of solving these multi-time scale processes simultaneously. In response to this challenge, this paper proposed an explicit multi-time step…

We present a new numerical method for solving time dependent Maxwell equations, which is also suitable for general linear hyperbolic equations. It is based on an unstructured partitioning of the spacetime domain into tent-shaped regions…

Manufacturers have been developing new graphics processing unit (GPU) nodes with large capacity, high bandwidth memory and very high bandwidth intra-node interconnects. This enables moving large amounts of data between GPUs on the same node…

The task of atom rearrangement has emerged in the last decade as a fundamental building block for the development of neutral atom-based quantum processors. However, despite many recent efforts to develop algorithms with favorable asymptotic…