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We present an unsupervised data processing workflow that is specifically designed to obtain a fast conformational clustering of long molecular dynamics simulation trajectories. In this approach we combine two dimensionality reduction…

Chemical Physics · Physics 2023-08-09 Simon Hunkler , Kay Diederichs , Oleksandra Kukharenko , Christine Peter

Numerical computations and methods have become increasingly crucial in the study of spin foam models across various regimes. This paper adds to this field by introducing new algorithms based on tensor network methods for computing…

General Relativity and Quantum Cosmology · Physics 2024-07-01 Seth K. Asante , Sebastian Steinhaus

Tensor contractions constitute a key computational ingredient of numerical multi-linear algebra. However, as the order and dimension of tensors grow, the time and space complexities of tensor-based computations grow quickly. Existing…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-08-15 Yang Shi , U. N. Niranjan , Animashree Anandkumar , Cris Cecka

Serving deep neural networks in latency critical interactive settings often requires GPU acceleration. However, the small batch sizes typical in online inference results in poor GPU utilization, a potential performance gap which GPU…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-01-03 Paras Jain , Xiangxi Mo , Ajay Jain , Harikaran Subbaraj , Rehan Sohail Durrani , Alexey Tumanov , Joseph Gonzalez , Ion Stoica

It is demonstrated how the non-proprietary OpenACC standard of compiler directives may be used to compactly and efficiently accelerate the rate-determining steps of two of the most routinely applied many-body methods of electronic structure…

Chemical Physics · Physics 2017-09-15 Janus Juul Eriksen

In recent years, energy correlators have emerged as powerful observables for probing the fragmentation dynamics of high-energy collisions. We introduce the first numerical strategy for calculating energy correlators using the Hamiltonian…

High Energy Physics - Phenomenology · Physics 2025-05-07 Kyle Lee , Francesco Turro , Xiaojun Yao

Semiconductor spin qubits are a promising platform for large-scale quantum computing, but have yet to take full advantage of the broad class of quantum low-density parity check (QLDPC) codes, which promise high encoding rates and efficient…

Quantum Physics · Physics 2026-04-29 Jason D. Chadwick , Frederic T. Chong

We consider the problem of calculating the large number of Wick contractions necessary to compute states with the quantum numbers of many baryons in lattice QCD. We consider a constructive approach and a determinant-based approach and show…

High Energy Physics - Lattice · Physics 2013-08-09 William Detmold , Kostas Orginos

This letter presents a method to reduce the computational demands of including second-order dynamics sensitivity information into the Differential Dynamic Programming (DDP) trajectory optimization algorithm. An approach to DDP is developed…

Robotics · Computer Science 2022-07-01 John N. Nganga , Patrick M. Wensing

Interval scheduling is a basic problem in the theory of algorithms and a classical task in combinatorial optimization. We develop a set of techniques for partitioning and grouping jobs based on their starting and ending times, that enable…

Data Structures and Algorithms · Computer Science 2023-02-27 Spencer Compton , Slobodan Mitrović , Ronitt Rubinfeld

Recent efforts to improve the performance of neural network (NN) accelerators that meet today's application requirements have given rise to a new trend of logic-based NN inference relying on fixed-function combinational logic (FFCL). This…

Hardware Architecture · Computer Science 2023-04-14 Jingkai Hong , Arash Fayyazi , Amirhossein Esmaili , Mahdi Nazemi , Massoud Pedram

Combinatorial problems are formulated to find optimal designs within a fixed set of constraints. They are commonly found across diverse engineering and scientific domains. Understanding how to best use quantum computers for combinatorial…

The energy efficiency of neuromorphic hardware is greatly affected by the energy of storing, accessing, and updating synaptic parameters. Various methods of memory organisation targeting energy-efficient digital accelerators have been…

Neural and Evolutionary Computing · Computer Science 2020-03-27 Clemens JS Schaefer , Patrick Faley , Emre O Neftci , Siddharth Joshi

The demands on performance of advanced linear accelerator based facilities strongly depend on the quality of the particle beams produced by such machines. Indeed, state-of-the-art applications in photon production and high-energy physics…

In the rapidly expanding field of parallel processing, job schedulers are the "operating systems" of modern big data architectures and supercomputing systems. Job schedulers allocate computing resources and control the execution of…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-03-06 Albert Reuther , Chansup Byun , William Arcand , David Bestor , Bill Bergeron , Matthew Hubbell , Michael Jones , Peter Michaleas , Andrew Prout , Antonio Rosa , Jeremy Kepner

The reconstruction of charged particle trajectories is one of the most complex and CPU consuming parts of event processing in high energy experiments. At future hadron colliders such as the High-Luminosity Large Hadron Collider (HL-LHC) or…

Instrumentation and Detectors · Physics 2019-10-25 Xiaocong Ai

Fault-tolerant quantum computers are expected to be offered as cloud services due to their significant resource and infrastructure requirements. Quantum multiprogramming, which runs multiple quantum jobs in parallel, is a promising approach…

Quantum Physics · Physics 2025-12-10 Shin Nishio , Ryo Wakizaka , Daisuke Sakuma , Yosuke Ueno , Yasunari Suzuki

High-fidelity physics simulations are powerful tools in the design and optimization of charged particle accelerators. However, the computational burden of these simulations often limits their use in practice for design optimization and…

Accelerator Physics · Physics 2020-04-15 Auralee Edelen , Nicole Neveu , Yannick Huber , Mattias Frey , Christopher Mayes , Andreas Adelmann

High-performance computing systems are more and more often based on accelerators. Computing applications targeting those systems often follow a host-driven approach in which hosts offload almost all compute-intensive sections of the code…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-15 E. Calore , A. Gabbana , S. F. Schifano , R. Tripiccione

Geometric numerical integration has recently been exploited to design symplectic accelerated optimization algorithms by simulating the Lagrangian and Hamiltonian systems from the variational framework introduced in Wibisono et al. In this…

Optimization and Control · Mathematics 2023-05-19 Valentin Duruisseaux , Melvin Leok
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