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 Bayesian Inference


All-in-one simulation-based inference

arXiv.org Machine Learning

Amortized Bayesian inference trains neural networks to solve stochastic inference problems using model simulations, thereby making it possible to rapidly perform Bayesian inference for any newly observed data. However, current simulation-based amortized inference methods are simulation-hungry and inflexible: They require the specification of a fixed parametric prior, simulator, and inference tasks ahead of time. Here, we present a new amortized inference method -- the Simformer -- which overcomes these limitations. By training a probabilistic diffusion model with transformer architectures, the Simformer outperforms current state-of-the-art amortized inference approaches on benchmark tasks and is substantially more flexible: It can be applied to models with function-valued parameters, it can handle inference scenarios with missing or unstructured data, and it can sample arbitrary conditionals of the joint distribution of parameters and data, including both posterior and likelihood. We showcase the performance and flexibility of the Simformer on simulators from ecology, epidemiology, and neuroscience, and demonstrate that it opens up new possibilities and application domains for amortized Bayesian inference on simulation-based models.


Concentration properties of fractional posterior in 1-bit matrix completion

arXiv.org Machine Learning

The problem of estimating a matrix based on a set of its observed entries is commonly referred to as the matrix completion problem. In this work, we specifically address the scenario of binary observations, often termed as 1-bit matrix completion. While numerous studies have explored Bayesian and frequentist methods for real-value matrix completion, there has been a lack of theoretical exploration regarding Bayesian approaches in 1-bit matrix completion. We tackle this gap by considering a general, non-uniform sampling scheme and providing theoretical assurances on the efficacy of the fractional posterior. Our contributions include obtaining concentration results for the fractional posterior and demonstrating its effectiveness in recovering the underlying parameter matrix. We accomplish this using two distinct types of prior distributions: low-rank factorization priors and a spectral scaled Student prior, with the latter requiring fewer assumptions. Importantly, our results exhibit an adaptive nature by not mandating prior knowledge of the rank of the parameter matrix. Our findings are comparable to those found in the frequentist literature, yet demand fewer restrictive assumptions.


The Impact of Variable Ordering on Bayesian Network Structure Learning

arXiv.org Artificial Intelligence

Causal Bayesian Networks provide an important tool for reasoning under uncertainty with potential application to many complex causal systems. Structure learning algorithms that can tell us something about the causal structure of these systems are becoming increasingly important. In the literature, the validity of these algorithms is often tested for sensitivity over varying sample sizes, hyper-parameters, and occasionally objective functions. In this paper, we show that the order in which the variables are read from data can have much greater impact on the accuracy of the algorithm than these factors. Because the variable ordering is arbitrary, any significant effect it has on learnt graph accuracy is concerning, and this raises questions about the validity of the results produced by algorithms that are sensitive to, but have not been assessed against, different variable orderings.


Leveraging viscous Hamilton-Jacobi PDEs for uncertainty quantification in scientific machine learning

arXiv.org Machine Learning

Uncertainty quantification (UQ) in scientific machine learning (SciML) combines the powerful predictive power of SciML with methods for quantifying the reliability of the learned models. However, two major challenges remain: limited interpretability and expensive training procedures. We provide a new interpretation for UQ problems by establishing a new theoretical connection between some Bayesian inference problems arising in SciML and viscous Hamilton-Jacobi partial differential equations (HJ PDEs). Namely, we show that the posterior mean and covariance can be recovered from the spatial gradient and Hessian of the solution to a viscous HJ PDE. As a first exploration of this connection, we specialize to Bayesian inference problems with linear models, Gaussian likelihoods, and Gaussian priors. In this case, the associated viscous HJ PDEs can be solved using Riccati ODEs, and we develop a new Riccati-based methodology that provides computational advantages when continuously updating the model predictions. Specifically, our Riccati-based approach can efficiently add or remove data points to the training set invariant to the order of the data and continuously tune hyperparameters. Moreover, neither update requires retraining on or access to previously incorporated data. We provide several examples from SciML involving noisy data and \textit{epistemic uncertainty} to illustrate the potential advantages of our approach. In particular, this approach's amenability to data streaming applications demonstrates its potential for real-time inferences, which, in turn, allows for applications in which the predicted uncertainty is used to dynamically alter the learning process.


Bayesian Federated Model Compression for Communication and Computation Efficiency

arXiv.org Artificial Intelligence

In this paper, we investigate Bayesian model compression in federated learning (FL) to construct sparse models that can achieve both communication and computation efficiencies. We propose a decentralized Turbo variational Bayesian inference (D-Turbo-VBI) FL framework where we firstly propose a hierarchical sparse prior to promote a clustered sparse structure in the weight matrix. Then, by carefully integrating message passing and VBI with a decentralized turbo framework, we propose the D-Turbo-VBI algorithm which can (i) reduce both upstream and downstream communication overhead during federated training, and (ii) reduce the computational complexity during local inference. Additionally, we establish the convergence property for thr proposed D-Turbo-VBI algorithm. Simulation results show the significant gain of our proposed algorithm over the baselines in reducing communication overhead during federated training and computational complexity of final model.


Language Model Prompt Selection via Simulation Optimization

arXiv.org Machine Learning

With the advancement in generative language models, the selection of prompts has gained significant attention in recent years. A prompt is an instruction or description provided by the user, serving as a guide for the generative language model in content generation. Despite existing methods for prompt selection that are based on human labor, we consider facilitating this selection through simulation optimization, aiming to maximize a pre-defined score for the selected prompt. Specifically, we propose a two-stage framework. In the first stage, we determine a feasible set of prompts in sufficient numbers, where each prompt is represented by a moderate-dimensional vector. In the subsequent stage for evaluation and selection, we construct a surrogate model of the score regarding the moderate-dimensional vectors that represent the prompts. We propose sequentially selecting the prompt for evaluation based on this constructed surrogate model. We prove the consistency of the sequential evaluation procedure in our framework. We also conduct numerical experiments to demonstrate the efficacy of our proposed framework, providing practical instructions for implementation.


Diffusion posterior sampling for simulation-based inference in tall data settings

arXiv.org Machine Learning

Determining which parameters of a non-linear model could best describe a set of experimental data is a fundamental problem in science and it has gained much traction lately with the rise of complex large-scale simulators (a.k.a. black-box simulators). The likelihood of such models is typically intractable, which is why classical MCMC methods can not be used. Simulation-based inference (SBI) stands out in this context by only requiring a dataset of simulations to train deep generative models capable of approximating the posterior distribution that relates input parameters to a given observation. In this work, we consider a tall data extension in which multiple observations are available and one wishes to leverage their shared information to better infer the parameters of the model. The method we propose is built upon recent developments from the flourishing score-based diffusion literature and allows us to estimate the tall data posterior distribution simply using information from the score network trained on individual observations. We compare our method to recently proposed competing approaches on various numerical experiments and demonstrate its superiority in terms of numerical stability and computational cost.


Sequential Decision Making with Expert Demonstrations under Unobserved Heterogeneity

arXiv.org Artificial Intelligence

We study the problem of online sequential decision-making given auxiliary demonstrations from experts who made their decisions based on unobserved contextual information. These demonstrations can be viewed as solving related but slightly different tasks than what the learner faces. This setting arises in many application domains, such as self-driving cars, healthcare, and finance, where expert demonstrations are made using contextual information, which is not recorded in the data available to the learning agent. We model the problem as a zero-shot meta-reinforcement learning setting with an unknown task distribution and a Bayesian regret minimization objective, where the unobserved tasks are encoded as parameters with an unknown prior. We propose the Experts-as-Priors algorithm (ExPerior), a non-parametric empirical Bayes approach that utilizes the principle of maximum entropy to establish an informative prior over the learner's decision-making problem. This prior enables the application of any Bayesian approach for online decision-making, such as posterior sampling. We demonstrate that our strategy surpasses existing behaviour cloning and online algorithms for multi-armed bandits and reinforcement learning, showcasing the utility of our approach in leveraging expert demonstrations across different decision-making setups.


Interactive Learning of Physical Object Properties Through Robot Manipulation and Database of Object Measurements

arXiv.org Artificial Intelligence

This work presents a framework for automatically extracting physical object properties, such as material composition, mass, volume, and stiffness, through robot manipulation and a database of object measurements. The framework involves exploratory action selection to maximize learning about objects on a table. A Bayesian network models conditional dependencies between object properties, incorporating prior probability distributions and uncertainty associated with measurement actions. The algorithm selects optimal exploratory actions based on expected information gain and updates object properties through Bayesian inference. Experimental evaluation demonstrates effective action selection compared to a baseline and correct termination of the experiments if there is nothing more to be learned. The algorithm proved to behave intelligently when presented with trick objects with material properties in conflict with their appearance. The robot pipeline integrates with a logging module and an online database of objects, containing over 24,000 measurements of 63 objects with different grippers. All code and data are publicly available, facilitating automatic digitization of objects and their physical properties through exploratory manipulations.


A tutorial on learning from preferences and choices with Gaussian Processes

arXiv.org Machine Learning

Preference modelling lies at the intersection of economics, decision theory, machine learning and statistics. By understanding individuals' preferences and how they make choices, we can build products that closely match their expectations, paving the way for more efficient and personalised applications across a wide range of domains. The objective of this tutorial is to present a cohesive and comprehensive framework for preference learning with Gaussian Processes (GPs), demonstrating how to seamlessly incorporate rationality principles (from economics and decision theory) into the learning process. By suitably tailoring the likelihood function, this framework enables the construction of preference learning models that encompass random utility models, limits of discernment, and scenarios with multiple conflicting utilities for both object- and label-preference. This tutorial builds upon established research while simultaneously introducing some novel GP-based models to address specific gaps in the existing literature.