Variational Sequential Optimal Experimental Design using Reinforcement Learning
- URL: http://arxiv.org/abs/2306.10430v2
- Date: Mon, 23 Dec 2024 17:56:29 GMT
- Title: Variational Sequential Optimal Experimental Design using Reinforcement Learning
- Authors: Wanggang Shen, Jiayuan Dong, Xun Huan,
- Abstract summary: vsOED employs a one-point reward formulation with variational posterior approximations, providing a provable lower bound to the expected information gain.<n>We demonstrate vsOED across various engineering and science applications, illustrating its superior sample efficiency compared to existing sequential experimental design algorithms.
- Score: 0.0
- License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
- Abstract: We present variational sequential optimal experimental design (vsOED), a novel method for optimally designing a finite sequence of experiments within a Bayesian framework with information-theoretic criteria. vsOED employs a one-point reward formulation with variational posterior approximations, providing a provable lower bound to the expected information gain. Numerical methods are developed following an actor-critic reinforcement learning approach, including derivation and estimation of variational and policy gradients to optimize the design policy, and posterior approximation using Gaussian mixture models and normalizing flows. vsOED accommodates nuisance parameters, implicit likelihoods, and multiple candidate models, while supporting flexible design criteria that can target designs for model discrimination, parameter inference, goal-oriented prediction, and their weighted combinations. We demonstrate vsOED across various engineering and science applications, illustrating its superior sample efficiency compared to existing sequential experimental design algorithms.
Related papers
- Gradient-Free Sequential Bayesian Experimental Design via Interacting Particle Systems [2.624902795082451]
We introduce a gradient-free framework for Bayesian Optimal Experimental Design (BOED) in sequential settings.
Our method combines Ensemble Kalman Inversion (EKI) for design optimization with the Affine-Invariant Langevin Dynamics (ALDI) sampler for efficient posterior sampling.
variational Gaussian and parametrized Laplace approximations provide tractable upper and lower bounds on the Expected Information Gain.
arXiv Detail & Related papers (2025-04-17T20:16:15Z) - Diffusion Model for Data-Driven Black-Box Optimization [54.25693582870226]
We focus on diffusion models, a powerful generative AI technology, and investigate their potential for black-box optimization.
We study two practical types of labels: 1) noisy measurements of a real-valued reward function and 2) human preference based on pairwise comparisons.
Our proposed method reformulates the design optimization problem into a conditional sampling problem, which allows us to leverage the power of diffusion models.
arXiv Detail & Related papers (2024-03-20T00:41:12Z) - Improving Diffusion Models for Inverse Problems Using Optimal Posterior Covariance [52.093434664236014]
Recent diffusion models provide a promising zero-shot solution to noisy linear inverse problems without retraining for specific inverse problems.
Inspired by this finding, we propose to improve recent methods by using more principled covariance determined by maximum likelihood estimation.
arXiv Detail & Related papers (2024-02-03T13:35:39Z) - Scalable method for Bayesian experimental design without integrating
over posterior distribution [0.0]
We address the computational efficiency in solving the A-optimal Bayesian design of experiments problems.
A-optimality is a widely used and easy-to-interpret criterion for Bayesian experimental design.
This study presents a novel likelihood-free approach to the A-optimal experimental design.
arXiv Detail & Related papers (2023-06-30T12:40:43Z) - Protein Design with Guided Discrete Diffusion [67.06148688398677]
A popular approach to protein design is to combine a generative model with a discriminative model for conditional sampling.
We propose diffusioN Optimized Sampling (NOS), a guidance method for discrete diffusion models.
NOS makes it possible to perform design directly in sequence space, circumventing significant limitations of structure-based methods.
arXiv Detail & Related papers (2023-05-31T16:31:24Z) - Statistically Efficient Bayesian Sequential Experiment Design via
Reinforcement Learning with Cross-Entropy Estimators [15.461927416747582]
Reinforcement learning can learn amortised design policies for designing sequences of experiments.
We propose the use of an alternative estimator based on the cross-entropy of the joint model distribution and a flexible proposal distribution.
Our method overcomes the exponential-sample complexity of previous approaches and provide more accurate estimates of high EIG values.
arXiv Detail & Related papers (2023-05-29T00:35:52Z) - Online simulator-based experimental design for cognitive model selection [74.76661199843284]
We propose BOSMOS: an approach to experimental design that can select between computational models without tractable likelihoods.
In simulated experiments, we demonstrate that the proposed BOSMOS technique can accurately select models in up to 2 orders of magnitude less time than existing LFI alternatives.
arXiv Detail & Related papers (2023-03-03T21:41:01Z) - Design Amortization for Bayesian Optimal Experimental Design [70.13948372218849]
We build off of successful variational approaches, which optimize a parameterized variational model with respect to bounds on the expected information gain (EIG)
We present a novel neural architecture that allows experimenters to optimize a single variational model that can estimate the EIG for potentially infinitely many designs.
arXiv Detail & Related papers (2022-10-07T02:12:34Z) - Sparse high-dimensional linear regression with a partitioned empirical
Bayes ECM algorithm [62.997667081978825]
We propose a computationally efficient and powerful Bayesian approach for sparse high-dimensional linear regression.
Minimal prior assumptions on the parameters are used through the use of plug-in empirical Bayes estimates.
The proposed approach is implemented in the R package probe.
arXiv Detail & Related papers (2022-09-16T19:15:50Z) - Bayesian Sequential Optimal Experimental Design for Nonlinear Models
Using Policy Gradient Reinforcement Learning [0.0]
We formulate this sequential optimal experimental design (sOED) problem as a finite-horizon partially observable Markov decision process (POMDP)
It is built to accommodate continuous random variables, general non-Gaussian posteriors, and expensive nonlinear forward models.
We solve for the sOED policy numerically via policy gradient (PG) methods from reinforcement learning, and derive and prove the PG expression for sOED.
The overall PG-sOED method is validated on a linear-Gaussian benchmark, and its advantages over batch and greedy designs are demonstrated through a contaminant source inversion problem in a
arXiv Detail & Related papers (2021-10-28T17:47:31Z) - Gradient-based Bayesian Experimental Design for Implicit Models using
Mutual Information Lower Bounds [20.393359858407162]
We introduce a framework for Bayesian experimental design (BED) with implicit models, where the data-generating distribution is intractable but sampling from it is still possible.
In order to find optimal experimental designs for such models, our approach maximises mutual information lower bounds that are parametrised by neural networks.
By training a neural network on sampled data, we simultaneously update network parameters and designs using gradient-ascent.
arXiv Detail & Related papers (2021-05-10T13:59:25Z) - An AI-Assisted Design Method for Topology Optimization Without
Pre-Optimized Training Data [68.8204255655161]
An AI-assisted design method based on topology optimization is presented, which is able to obtain optimized designs in a direct way.
Designs are provided by an artificial neural network, the predictor, on the basis of boundary conditions and degree of filling as input data.
arXiv Detail & Related papers (2020-12-11T14:33:27Z) - Quantized Variational Inference [6.09170287691728]
We show how Quantized Variational Inference produces variance free gradients for ELBO optimization.
We show that using Quantized Variational Inference framework leads to fast convergence for both score function and reparametrized gradient.
arXiv Detail & Related papers (2020-11-04T13:22:50Z) - Optimal Bayesian experimental design for subsurface flow problems [77.34726150561087]
We propose a novel approach for development of chaos expansion (PCE) surrogate model for the design utility function.
This novel technique enables the derivation of a reasonable quality response surface for the targeted objective function with a computational budget comparable to several single-point evaluations.
arXiv Detail & Related papers (2020-08-10T09:42:59Z) - Efficient Ensemble Model Generation for Uncertainty Estimation with
Bayesian Approximation in Segmentation [74.06904875527556]
We propose a generic and efficient segmentation framework to construct ensemble segmentation models.
In the proposed method, ensemble models can be efficiently generated by using the layer selection method.
We also devise a new pixel-wise uncertainty loss, which improves the predictive performance.
arXiv Detail & Related papers (2020-05-21T16:08:38Z)
This list is automatically generated from the titles and abstracts of the papers in this site.
This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.