Status and Future Perspectives for Lattice Gauge Theory Calculations to the Exascale and Beyond

In this and a set of companion whitepapers, the USQCD Collaboration lays out a program of science and computing for lattice gauge theory. These whitepapers describe how calculation using lattice QCD (and other gauge theories) can aid the interpretation of ongoing and upcoming experiments in particle and nuclear physics, as well as inspire new ones.Comment: 44 pages. 1 of USQCD whitepapers

A Primal-Dual Method for Optimal Control and Trajectory Generation in High-Dimensional Systems

Presented is a method for efficient computation of the Hamilton-Jacobi (HJ) equation for time-optimal control problems using the generalized Hopf formula. Typically, numerical methods to solve the HJ equation rely on a discrete grid of the solution space and exhibit exponential scaling with dimension. The generalized Hopf formula avoids the use of grids and numerical gradients by formulating an unconstrained convex optimization problem. The solution at each point is completely independent, and allows a massively parallel implementation if solutions at multiple points are desired. This work presents a primal-dual method for efficient numeric solution and presents how the resulting optimal trajectory can be generated directly from the solution of the Hopf formula, without further optimization. Examples presented have execution times on the order of milliseconds and experiments show computation scales approximately polynomial in dimension with very small high-order coefficients.Comment: Updated references and funding sources. To appear in the proceedings of the 2018 IEEE Conference on Control Technology and Application

Reinforcement learning based local search for grouping problems: A case study on graph coloring

Grouping problems aim to partition a set of items into multiple mutually disjoint subsets according to some specific criterion and constraints. Grouping problems cover a large class of important combinatorial optimization problems that are generally computationally difficult. In this paper, we propose a general solution approach for grouping problems, i.e., reinforcement learning based local search (RLS), which combines reinforcement learning techniques with descent-based local search. The viability of the proposed approach is verified on a well-known representative grouping problem (graph coloring) where a very simple descent-based coloring algorithm is applied. Experimental studies on popular DIMACS and COLOR02 benchmark graphs indicate that RLS achieves competitive performances compared to a number of well-known coloring algorithms

QCD simulations with staggered fermions on GPUs

We report on our implementation of the RHMC algorithm for the simulation of lattice QCD with two staggered flavors on Graphics Processing Units, using the NVIDIA CUDA programming language. The main feature of our code is that the GPU is not used just as an accelerator, but instead the whole Molecular Dynamics trajectory is performed on it. After pointing out the main bottlenecks and how to circumvent them, we discuss the obtained performances. We present some preliminary results regarding OpenCL and multiGPU extensions of our code and discuss future perspectives.Comment: 22 pages, 14 eps figures, final version to be published in Computer Physics Communication

Data Assimilation using a GPU Accelerated Path Integral Monte Carlo Approach

The answers to data assimilation questions can be expressed as path integrals over all possible state and parameter histories. We show how these path integrals can be evaluated numerically using a Markov Chain Monte Carlo method designed to run in parallel on a Graphics Processing Unit (GPU). We demonstrate the application of the method to an example with a transmembrane voltage time series of a simulated neuron as an input, and using a Hodgkin-Huxley neuron model. By taking advantage of GPU computing, we gain a parallel speedup factor of up to about 300, compared to an equivalent serial computation on a CPU, with performance increasing as the length of the observation time used for data assimilation increases.Comment: 5 figures, submitted to Journal of Computational Physic