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1. Algorithm and Hardware Co-Design for FPGA Acceleration of Hamiltonian Monte Carlo Based No-U-Turn Sampler

   Wang, Y. ; Li, P. ( July 2021 , The 32nd IEEE International Conference on Application-specific Systems, Architectures and Processors)

   null (Ed.)

   Monte Carlo (MC) methods are widely used in many research areas such as physical simulation, statistical analysis, and machine learning. Application of MC methods requires drawing fast mixing samples from a given probability distribution. Among existing sampling methods, the Hamiltonian Monte Carlo (HMC) utilizes gradient information during Hamiltonian simulation and can produce fast mixing samples at the highest efficiency. However, without carefully chosen simulation parameters for a specific problem, HMC generally suffers from simulation locality and computation waste. As a result, the No-U-Turn Sampler (NUTS) has been proposed to automatically tune these parameters during simulation and is the current state-of-the-art sampling algorithm. However, application of NUTS requires frequent gradient calculation of a given distribution and high-volume vector processing, especially for large-scale problems, leading to drawing an expensively large number of samples and a desire of hardware acceleration. While some hardware acceleration works have been proposed for traditional Markov Chain Monte Carlo (MCMC) and HMC methods, there is no existing work targeting hardware acceleration of the NUTS algorithm. In this paper, we present the first NUTS accelerator on FPGA while addressing the high complexity of this state-of-the-art algorithm. Our hardware and algorithm co-optimizations include an incremental resampling technique which leads to a more memory efficient architecture and pipeline optimization for multi-chain sampling to maximize the throughput. We also explore three levels of parallelism in the NUTS accelerator to further boost performance. Compared with optimized C++ NUTS package: RSTAN, our NUTS accelerator can reach a maximum speedup of 50.6X and an energy improvement of 189.7X. 

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2. Improving Actor-Critic Reinforcement Learning via Hamiltonian Monte Carlo Method

   https://doi.org/10.1109/TAI.2022.3215614  

   Xu, Duo ; Fekri, Faramarz ( October 2022 , IEEE Transactions on Artificial Intelligence)

   The actor-critic RL is widely used in various robotic control tasks. By viewing the actor-critic RL from the perspective of variational inference (VI), the policy network is trained to obtain the approximate posterior of actions given the optimality criteria. However, in practice, the actor-critic RL may yield suboptimal policy estimates due to the amortization gap and insufficient exploration. In this work, inspired by the previous use of Hamiltonian Monte Carlo (HMC) in VI, we propose to integrate the policy network of actor-critic RL with HMC, which is termed as Hamiltonian Policy. As such we propose to evolve actions from the base policy according to HMC, and our proposed method has many benefits. First, HMC can improve the policy distribution to better approximate the posterior and hence reduce the amortization gap. Second, HMC can also guide the exploration more to the regions of action spaces with higher Q values, enhancing the exploration efficiency. Further, instead of directly applying HMC into RL, we propose a new leapfrog operator to simulate the Hamiltonian dynamics. Finally, in safe RL problems, we find that the proposed method can not only improve the achieved return, but also reduce safety constraint violations by discarding potentially unsafe actions. With comprehensive empirical experiments on continuous control baselines, including MuJoCo and PyBullet Roboschool, we show that the proposed approach is a data-efficient and easy-to-implement improvement over previous actor-critic methods. 

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3. Sampling constrained continuous probability distributions: A review

   https://doi.org/10.1002/wics.1608  

   Lan, Shiwei ; Kang, Lulu ( February 2023 , WIREs Computational Statistics)

   The problem of sampling constrained continuous distributions has frequently appeared in many machine/statistical learning models. Many Markov Chain Monte Carlo (MCMC) sampling methods have been adapted to handle different types of constraints on random variables. Among these methods, Hamilton Monte Carlo (HMC) and the related approaches have shown significant advantages in terms of computational efficiency compared with other counterparts. In this article, we first review HMC and some extended sampling methods, and then we concretely explain three constrained HMC-based sampling methods, reflection, reformulation, and spherical HMC. For illustration, we apply these methods to solve three well-known constrained sampling problems, truncated multivariate normal distributions, Bayesian regularized regression, and nonparametric density estimation. In this review, we also connect constrained sampling with another similar problem in the statistical design of experiments with constrained design space. 

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4. An algorithm for distributed Bayesian inference

   https://doi.org/10.1002/sta4.432  

   Shyamalkumar, Nariankadu D. ; Srivastava, Sanvesh ( April 2022 , Stat)

   Monte Carlo algorithms, such as Markov chain Monte Carlo (MCMC) and Hamiltonian Monte Carlo (HMC), are routinely used for Bayesian inference; however, these algorithms are prohibitively slow in massive data settings because they require multiple passes through the full data in every iteration. Addressing this problem, we develop a scalable extension of these algorithms using the divide‐and‐conquer (D&C) technique that divides the data into a sufficiently large number of subsets, draws parameters in parallel on the subsets using apoweredlikelihood and produces Monte Carlo draws of the parameter by combining parameter draws obtained from each subset. The combined parameter draws play the role of draws from the original sampling algorithm. Our main contributions are twofold. First, we demonstrate through diverse simulated and real data analyses focusing on generalized linear models (GLMs) that our distributed algorithm delivers comparable results as the current state‐of‐the‐art D&C algorithms in terms of statistical accuracy and computational efficiency. Second, providing theoretical support for our empirical observations, we identify regularity assumptions under which the proposed algorithm leads to asymptotically optimal inference. We also provide illustrative examples focusing on normal linear and logistic regressions where parts of our D&C algorithm are analytically tractable.

    

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5. High-dimensional nonlinear Bayesian inference of poroelastic fields from pressure data

   https://doi.org/10.1177/10812865221140840  

   Karimi, Mina ; Massoudi, Mehrdad ; Dayal, Kaushik ; Pozzi, Matteo ( February 2023 , Mathematics and Mechanics of Solids)

   We investigate solution methods for large-scale inverse problems governed by partial differential equations (PDEs) via Bayesian inference. The Bayesian framework provides a statistical setting to infer uncertain parameters from noisy measurements. To quantify posterior uncertainty, we adopt Markov Chain Monte Carlo (MCMC) approaches for generating samples. To increase the efficiency of these approaches in high-dimension, we make use of local information about gradient and Hessian of the target potential, also via Hamiltonian Monte Carlo (HMC). Our target application is inferring the field of soil permeability processing observations of pore pressure, using a nonlinear PDE poromechanics model for predicting pressure from permeability. We compare the performance of different sampling approaches in this and other settings. We also investigate the effect of dimensionality and non-gaussianity of distributions on the performance of different sampling methods.

    

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