Connected component identification and cluster update on GPU

Cluster identification tasks occur in a multitude of contexts in physics and engineering such as, for instance, cluster algorithms for simulating spin models, percolation simulations, segmentation problems in image processing, or network analysis. While it has been shown that graphics processing units (GPUs) can result in speedups of two to three orders of magnitude as compared to serial codes on CPUs for the case of local and thus naturally parallelized problems such as single-spin flip update simulations of spin models, the situation is considerably more complicated for the non-local problem of cluster or connected component identification. I discuss the suitability of different approaches of parallelization of cluster labeling and cluster update algorithms for calculations on GPU and compare to the performance of serial implementations.Comment: 15 pages, 14 figures, one table, submitted to PR

Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method.

Recent advances in selected configuration interaction methods have made them competitive with the most accurate techniques available and, hence, creating an increasingly powerful tool for solving quantum Hamiltonians. In this work, we build on recent advances from the adaptive sampling configuration interaction (ASCI) algorithm. We show that a useful paradigm for generating efficient selected CI/exact diagonalization algorithms is driven by fast sorting algorithms, much in the same way iterative diagonalization is based on the paradigm of matrix vector multiplication. We present several new algorithms for all parts of performing a selected CI, which includes new ASCI search, dynamic bit masking, fast orbital rotations, fast diagonal matrix elements, and residue arrays. The ASCI search algorithm can be used in several different modes, which includes an integral driven search and a coefficient driven search. The algorithms presented here are fast and scalable, and we find that because they are built on fast sorting algorithms they are more efficient than all other approaches we considered. After introducing these techniques, we present ASCI results applied to a large range of systems and basis sets to demonstrate the types of simulations that can be practically treated at the full-CI level with modern methods and hardware, presenting double- and triple-ζ benchmark data for the G1 data set. The largest of these calculations is Si2H6 which is a simulation of 34 electrons in 152 orbitals. We also present some preliminary results for fast deterministic perturbation theory simulations that use hash functions to maintain high efficiency for treating large basis sets

Neural Architecture Search using Deep Neural Networks and Monte Carlo Tree Search

Neural Architecture Search (NAS) has shown great success in automating the design of neural networks, but the prohibitive amount of computations behind current NAS methods requires further investigations in improving the sample efficiency and the network evaluation cost to get better results in a shorter time. In this paper, we present a novel scalable Monte Carlo Tree Search (MCTS) based NAS agent, named AlphaX, to tackle these two aspects. AlphaX improves the search efficiency by adaptively balancing the exploration and exploitation at the state level, and by a Meta-Deep Neural Network (DNN) to predict network accuracies for biasing the search toward a promising region. To amortize the network evaluation cost, AlphaX accelerates MCTS rollouts with a distributed design and reduces the number of epochs in evaluating a network by transfer learning, which is guided with the tree structure in MCTS. In 12 GPU days and 1000 samples, AlphaX found an architecture that reaches 97.84\% top-1 accuracy on CIFAR-10, and 75.5\% top-1 accuracy on ImageNet, exceeding SOTA NAS methods in both the accuracy and sampling efficiency. Particularly, we also evaluate AlphaX on NASBench-101, a large scale NAS dataset; AlphaX is 3x and 2.8x more sample efficient than Random Search and Regularized Evolution in finding the global optimum. Finally, we show the searched architecture improves a variety of vision applications from Neural Style Transfer, to Image Captioning and Object Detection.Comment: To appear in the Thirty-Fourth AAAI conference on Artificial Intelligence (AAAI-2020

HyP-DESPOT: A Hybrid Parallel Algorithm for Online Planning under Uncertainty

Planning under uncertainty is critical for robust robot performance in uncertain, dynamic environments, but it incurs high computational cost. State-of-the-art online search algorithms, such as DESPOT, have vastly improved the computational efficiency of planning under uncertainty and made it a valuable tool for robotics in practice. This work takes one step further by leveraging both CPU and GPU parallelization in order to achieve near real-time online planning performance for complex tasks with large state, action, and observation spaces. Specifically, we propose Hybrid Parallel DESPOT (HyP-DESPOT), a massively parallel online planning algorithm that integrates CPU and GPU parallelism in a multi-level scheme. It performs parallel DESPOT tree search by simultaneously traversing multiple independent paths using multi-core CPUs and performs parallel Monte-Carlo simulations at the leaf nodes of the search tree using GPUs. Experimental results show that HyP-DESPOT speeds up online planning by up to several hundred times, compared with the original DESPOT algorithm, in several challenging robotic tasks in simulation

Mapping parallel programs to heterogeneous CPU/GPU architectures using a Monte Carlo Tree Search

The single core processor, which has dominated for over 30 years, is now obsolete with recent trends increasing towards parallel systems, demanding a huge shift in programming techniques and practices. Moreover, we are rapidly moving towards an age where almost all programming will be targeting parallel systems. Parallel hardware is rapidly evolving, with large heterogeneous systems, typically comprising a mixture of CPUs and GPUs, becoming the mainstream. Additionally, with this increasing heterogeneity comes increasing complexity: not only does the programmer have to worry about where and how to express the parallelism, they must also express an efficient mapping of resources to the available system. This generally requires in-depth expert knowledge that most application programmers do not have. In this paper we describe a new technique that derives, automatically, optimal mappings for an application onto a heterogeneous architecture, using a Monte Carlo Tree Search algorithm. Our technique exploits high-level design patterns, targeting a set of well-specified parallel skeletons. We demonstrate that our MCTS on a convolution example obtained speedups that are within 5% of the speedups achieved by a hand-tuned version of the same application.Postprin