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stat.ML updates on arXiv.org

Adaptive multi-fidelity optimization with fast learning rates Enhancing AI and Dynamical Subseasonal Forecasts with Probabilistic Bias Correction Sample Complexity Bounds for Stochastic Shortest Path with a Generative Model The Harder Path: Last Iterate Convergence for Uncoupled Learning in Zero-Sum Games with Bandit Feedback Stylistic-STORM (ST-STORM) : Perceiving the Semantic Nature of Appearance Collective Kernel EFT for Pre-activation ResNets PRIM-cipal components analysis One-Shot Generative Flows: Existence and Obstructions Structural interpretability in SVMs with truncated orthogonal polynomial kernels Amortized Optimal Transport from Sliced Potentials MinShap: A Modified Shapley Value Approach for Feature Selection Unsupervised feature selection using Bayesian Tucker decomposition Multi-User mmWave Beam and Rate Adaptation via Combinatorial Satisficing Bandits Best of both worlds: Stochastic & adversarial best-arm identification Scalable Model-Based Clustering with Sequential Monte Carlo Expert-Guided Class-Conditional Goodness-of-Fit Scores for Interpretable Classification with Informative Missingness: An Application to Seismic Monitoring Lightweight Geometric Adaptation for Training Physics-Informed Neural Networks Gating Enables Curvature: A Geometric Expressivity Gap in Attention Zeroth-Order Optimization at the Edge of Stability Differentially Private Conformal Prediction CLion: Efficient Cautious Lion Optimizer with Enhanced Generalization Generative Augmented Inference Improving Machine Learning Performance with Synthetic Augmentation PAC-MCTS: Bias-Aware Pruning for Robust LLM-Guided Search and Planning Path-Sampled Integrated Gradients Heat and Matérn Kernels on Matchings Doubly Outlier-Robust Online Infinite Hidden Markov Model Momentum Further Constrains Sharpness at the Edge of Stochastic Stability Multistage Conditional Compositional Optimization BOAT: Navigating the Sea of In Silico Predictors for Antibody Design via Multi-Objective Bayesian Optimization
Multi-fidelity Hamiltonian Monte Carlo
Dhruv V. Patel, Jonghyun Lee, Matthew W. Farthing, Peter K. Kita · 2024-05-08 · via stat.ML updates on arXiv.org

Numerous applications in biology, statistics, science, and engineering require generating samples from high-dimensional probability distributions. In recent years, the Hamiltonian Monte Carlo (HMC) method has emerged as a state-of-the-art Markov chain Monte Carlo technique, exploiting the shape of such high-dimensional target distributions to efficiently generate samples. Despite its impressive empirical success and increasing popularity, its wide-scale adoption remains limited due to the high computational cost of gradient calculation. Moreover, applying this method is impossible when the gradient of the posterior cannot be computed (for example, with black-box simulators). To overcome these challenges, we propose a novel two-stage Hamiltonian Monte Carlo algorithm with a surrogate model. In this multi-fidelity algorithm, the acceptance probability is computed in the first stage via a standard HMC proposal using an inexpensive differentiable surrogate model, and if the proposal is accepted, the posterior is evaluated in the second stage using the high-fidelity (HF) numerical solver. Splitting the standard HMC algorithm into these two stages allows for approximating the gradient of the posterior efficiently, while producing accurate posterior samples by using HF numerical solvers in the second stage. We demonstrate the effectiveness of this algorithm for a range of problems, including linear and nonlinear Bayesian inverse problems with in-silico data and experimental data. The proposed algorithm is shown to seamlessly integrate with various low-fidelity and HF models, priors, and datasets. Remarkably, our proposed method outperforms the traditional HMC algorithm in both computational and statistical efficiency by several orders of magnitude, all while retaining or improving the accuracy in computed posterior statistics.