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Evaluating multi-center molecular integrals with Cartesian Gaussian-type basis sets has been a long-standing bottleneck in electronic structure theory calculation for solids and molecules. We have developed a vector-coupling and…
Quantum computing has advanced rapidly in recent years and has shown advantages in a variety of domains. In this paper, we investigate its potential for discrete simulation optimization in the fixed-confidence setting, a fundamental problem…
Recent strides in nonlinear model predictive control (NMPC) underscore a dependence on numerical advancements to efficiently and accurately solve large-scale problems. Given the substantial number of variables characterizing typical…
Context Optimization (CoOp) has emerged as a simple yet effective technique for adapting CLIP-like vision-language models to downstream image recognition tasks. Nevertheless, learning compact context with satisfactory base-to-new, domain…
Vico et al. (2016) suggest a fast algorithm for computing volume potentials, beneficial to fields with problems requiring the solution of the free-space Poisson's equation, such as beam and plasma physics. Currently, the standard is the…
The FoCal is a high-granularity forward calorimeter to be installed as an ALICE upgrade subsystem during the LHC Long Shutdown 3 and take data during the LHC Run 4. The FoCal detector, covering a pseudorapidity interval of $3.2 < \eta <…
We consider a one-dimensional system of particles with strong zero-range interactions. This system can be mapped onto a spin chain of the Heisenberg type with exchange coefficients that depend on the external trap. In this paper, we present…
Planning long-horizon robot manipulation requires making discrete decisions about which objects to interact with and continuous decisions about how to interact with them. A robot planner must select grasps, placements, and motions that are…
The KV cache in large language models is a dominant factor in memory usage, limiting their broader applicability. Quantizing the cache to lower bit widths is an effective way to reduce computational costs; however, previous methods struggle…
Cosmological correlators are very important objects in cosmology as they offer us a huge amount of information of the early universe. They reside on the future boundary of a de Sitter space and can be calculated by two methods. First method…
Following the trends of mobile and edge computing for DNN models, an intermediate option, split computing, has been attracting attentions from the research community. Previous studies empirically showed that while mobile and edge computing…
Copula-based modeling has seen rapid advances in recent years. However, in big data applications, the lengthy computation time for estimating copula parameters is a major difficulty. Here, we develop a novel method to speed computation time…
Parallel computing has turned out to be the enabling technology to solve complex physical systems. However, the transition from shared memory, vector computers to massively parallel, distributed memory systems and, recently, to hybrid…
Optimization has been widely used to generate smooth trajectories for motion planning. However, existing trajectory optimization methods show weakness when dealing with large-scale long trajectories. Recent advances in parallel computing…
In high-dimensional settings, Canonical Correlation Analysis (CCA) often fails, and existing sparse methods force an untenable choice between computational speed and statistical rigor. This work introduces a fast and provably consistent…
In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…
In this article we present a parallel modular algorithm to compute all solutions with multiplicities of a given zero-dimensional polynomial system of equations over the rationals. In fact, we compute a triangular decomposition using…
We describe an asynchronous parallel stochastic coordinate descent algorithm for minimizing smooth unconstrained or separably constrained functions. The method achieves a linear convergence rate on functions that satisfy an essential strong…
To make use of clustering statistics from large cosmological surveys, accurate and precise covariance matrices are needed. We present a new code to estimate large scale galaxy two-point correlation function (2PCF) covariances in arbitrary…
We show that adaptive time stepping in particle accelerator simulation is an enhancement for certain problems. The new algorithm has been implemented in the OPAL (Object Oriented Parallel Accelerator Library) framework, and is compared to…