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1. A Neural Network MCMC Sampler That Maximizes Proposal Entropy

   https://doi.org/https://doi.org/10.3390/e23030269  

   Li, Zengyi ; Chen, Yubei ; Sommer, Friedrich T. ( February 2021 , Entropy)

   null (Ed.)

   Markov Chain Monte Carlo (MCMC) methods sample from unnormalized probability distributions and offer guarantees of exact sampling. However, in the continuous case, unfavorable geometry of the target distribution can greatly limit the efficiency of MCMC methods. Augmenting samplers with neural networks can potentially improve their efficiency. Previous neural network-based samplers were trained with objectives that either did not explicitly encourage exploration, or contained a term that encouraged exploration but only for well structured distributions. Here we propose to maximize proposal entropy for adapting the proposal to distributions of any shape. To optimize proposal entropy directly, we devised a neural network MCMC sampler that has a flexible and tractable proposal distribution. Specifically, our network architecture utilizes the gradient of the target distribution for generating proposals. Our model achieved significantly higher efficiency than previous neural network MCMC techniques in a variety of sampling tasks, sometimes by more than an order magnitude. Further, the sampler was demonstrated through the training of a convergent energy-based model of natural images. The adaptive sampler achieved unbiased sampling with significantly higher proposal entropy than a Langevin dynamics sample. The trained sampler also achieved better sample quality. 

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2. Reducing Geometric Uncertainty in Computational Hemodynamics by Deep Learning-Assisted Parallel-Chain MCMC

   https://doi.org/10.1115/1.4055809  

   Du, Pan ; Wang, Jian-Xun ( December 2022 , Journal of Biomechanical Engineering)

   Abstract Computational hemodynamic modeling has been widely used in cardiovascular research and healthcare. However, the reliability of model predictions is largely dependent on the uncertainties of modeling parameters and boundary conditions, which should be carefully quantified and further reduced with available measurements. In this work, we focus on propagating and reducing the uncertainty of vascular geometries within a Bayesian framework. A novel deep learning (DL)-assisted parallel Markov chain Monte Carlo (MCMC) method is presented to enable efficient Bayesian posterior sampling and geometric uncertainty reduction. A DL model is built to approximate the geometry-to-hemodynamic map, which is trained actively using online data collected from parallel MCMC chains and utilized for early rejection of unlikely proposals to facilitate convergence with less expensive full-order model evaluations. Numerical studies on two-dimensional aortic flows are conducted to demonstrate the effectiveness and merit of the proposed method. 

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3. Tractable MCMC for Private Learning with Pure and Gaussian Differential Privacy

   Lin, Yingyu ; Ma, Yi-An ; Wang, Yu-Xiang ; Redberg, Rachel ; Bu, Zhiqi ( May 2024 , ICLR 2024)

   Posterior sampling, i.e., exponential mechanism to sample from the posterior distribution, provides ε-pure differential privacy (DP) guarantees and does not suffer from potentially unbounded privacy breach introduced by (ε,δ)-approximate DP. In practice, however, one needs to apply approximate sampling methods such as Markov chain Monte Carlo (MCMC), thus re-introducing the unappealing δ-approximation error into the privacy guarantees. To bridge this gap, we propose the Approximate SAample Perturbation (abbr. ASAP) algorithm which perturbs an MCMC sample with noise proportional to its Wasserstein-infinity (W∞) distance from a reference distribution that satisfies pure DP or pure Gaussian DP (i.e., δ=0). We then leverage a Metropolis-Hastings algorithm to generate the sample and prove that the algorithm converges in W∞ distance. We show that by combining our new techniques with a localization step, we obtain the first nearly linear-time algorithm that achieves the optimal rates in the DP-ERM problem with strongly convex and smooth losses. 

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4. On cyclical MCMC

   Liu, Xinru ; Wang, Liwei ; Smith, Aaron ; Atchade, Yves ( May 2024 , AISTATS 2024)

   Dasgupta, Sanjoy ; Mandt, Stephan ; Li, Yingzhen (Ed.)

   Cyclical MCMC is a novel MCMC framework recently proposed by Zhang et al. (2019) to address the challenge posed by high-dimensional multimodal posterior distributions like those arising in deep learning. The algorithm works by generating a nonhomogeneous Markov chain that tracks -- cyclically in time -- tempered versions of the target distribution. We show in this work that cyclical MCMC converges to the desired limit in settings where the Markov kernels used are fast mixing, and sufficiently long cycles are employed. However in the far more common settings of slow mixing kernels, the algorithm may fail to converge to the correct limit. In particular, in a simple mixture example with unequal variance where powering is known to produce slow mixing kernels, we show by simulation that cyclical MCMC fails to converge to the desired limit. Finally, we show that cyclical MCMC typically estimates well the local shape of the target distribution around each mode, even when we do not have convergence to the target. 

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5. On Approximate Thompson Sampling with Langevin Algorithms

   Mazumdar, Eric ; Pacchiano, Aldo ; Ma, Yian ; Jordan, Michael ; Bartlett, Peter ( January 2020 , Proceedings of the 37th International Conference on Machine Learning)

   Daumé III, Hal ; Singh, Aarti (Ed.)

   Thompson sampling for multi-armed bandit problems is known to enjoy favorable performance in both theory and practice. However, its wider deployment is restricted due to a significant computational limitation: the need for samples from posterior distributions at every iteration. In practice, this limitation is alleviated by making use of approximate sampling methods, yet provably incorporating approximate samples into Thompson Sampling algorithms remains an open problem. In this work we address this by proposing two efficient Langevin MCMC algorithms tailored to Thompson sampling. The resulting approximate Thompson Sampling algorithms are efficiently implementable and provably achieve optimal instance-dependent regret for the Multi-Armed Bandit (MAB) problem. To prove these results we derive novel posterior concentration bounds and MCMC convergence rates for log-concave distributions which may be of independent interest. 

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