Uncertainty
Optimizing Sequential Experimental Design with Deep Reinforcement Learning
Blau, Tom, Bonilla, Edwin, Dezfouli, Amir, Chades, Iadine
Bayesian approaches developed to solve the optimal design of sequential experiments are mathematically elegant but computationally challenging. Recently, techniques using amortization have been proposed to make these Bayesian approaches practical, by training a parameterized policy that proposes designs efficiently at deployment time. However, these methods may not sufficiently explore the design space, require access to a differentiable probabilistic model and can only optimize over continuous design spaces. Here, we address these limitations by showing that the problem of optimizing policies can be reduced to solving a Markov decision process (MDP). We solve the equivalent MDP with modern deep reinforcement learning techniques. Our experiments show that our approach is also computationally efficient at deployment time and exhibits state-of-the-art performance on both continuous and discrete design spaces, even when the probabilistic model is a black box.
Black-box Bayesian inference for economic agent-based models
Dyer, Joel, Cannon, Patrick, Farmer, J. Doyne, Schmon, Sebastian
Simulation models, in particular agent-based models, are gaining popularity in economics. The considerable flexibility they offer, as well as their capacity to reproduce a variety of empirically observed behaviours of complex systems, give them broad appeal, and the increasing availability of cheap computing power has made their use feasible. Yet a widespread adoption in real-world modelling and decision-making scenarios has been hindered by the difficulty of performing parameter estimation for such models. In general, simulation models lack a tractable likelihood function, which precludes a straightforward application of standard statistical inference techniques. Several recent works have sought to address this problem through the application of likelihood-free inference techniques, in which parameter estimates are determined by performing some form of comparison between the observed data and simulation output. However, these approaches are (a) founded on restrictive assumptions, and/or (b) typically require many hundreds of thousands of simulations. These qualities make them unsuitable for large-scale simulations in economics and can cast doubt on the validity of these inference methods in such scenarios. In this paper, we investigate the efficacy of two classes of black-box approximate Bayesian inference methods that have recently drawn significant attention within the probabilistic machine learning community: neural posterior estimation and neural density ratio estimation. We present benchmarking experiments in which we demonstrate that neural network based black-box methods provide state of the art parameter inference for economic simulation models, and crucially are compatible with generic multivariate time-series data. In addition, we suggest appropriate assessment criteria for future benchmarking of approximate Bayesian inference procedures for economic simulation models.
Towards a Theoretical Understanding of Word and Relation Representation
Representing words by vectors, or embeddings, enables computational reasoning and is foundational to automating natural language tasks. For example, if word embeddings of similar words contain similar values, word similarity can be readily assessed, whereas judging that from their spelling is often impossible (e.g. cat /feline) and to predetermine and store similarities between all words is prohibitively time-consuming, memory intensive and subjective. We focus on word embeddings learned from text corpora and knowledge graphs. Several well-known algorithms learn word embeddings from text on an unsupervised basis by learning to predict those words that occur around each word, e.g. word2vec and GloVe. Parameters of such word embeddings are known to reflect word co-occurrence statistics, but how they capture semantic meaning has been unclear. Knowledge graph representation models learn representations both of entities (words, people, places, etc.) and relations between them, typically by training a model to predict known facts in a supervised manner. Despite steady improvements in fact prediction accuracy, little is understood of the latent structure that enables this. The limited understanding of how latent semantic structure is encoded in the geometry of word embeddings and knowledge graph representations makes a principled means of improving their performance, reliability or interpretability unclear. To address this: 1. we theoretically justify the empirical observation that particular geometric relationships between word embeddings learned by algorithms such as word2vec and GloVe correspond to semantic relations between words; and 2. we extend this correspondence between semantics and geometry to the entities and relations of knowledge graphs, providing a model for the latent structure of knowledge graph representation linked to that of word embeddings.
Insights from workshop on Bayesian deep learning at neurips 21 - DataScienceCentral.com
Until now, neural networks have been predominantly relying on backpropagation and gradient descent as the inference engine in order to learn a neural network's parameters. This is primarily because closed-form Bayesian inference for neural networks has been considered to be intractable. This short paper outlines a new analytical method for performing tractable approximate Gaussian inference (TAGI) in Bayesian neural networks.
Exoplanet Characterization using Conditional Invertible Neural Networks
Haldemann, Jonas, Ksoll, Victor, Walter, Daniel, Alibert, Yann, Klessen, Ralf S., Benz, Willy, Koethe, Ullrich, Ardizzone, Lynton, Rother, Carsten
The characterization of an exoplanet's interior is an inverse problem, which requires statistical methods such as Bayesian inference in order to be solved. Current methods employ Markov Chain Monte Carlo (MCMC) sampling to infer the posterior probability of planetary structure parameters for a given exoplanet. These methods are time consuming since they require the calculation of a large number of planetary structure models. To speed up the inference process when characterizing an exoplanet, we propose to use conditional invertible neural networks (cINNs) to calculate the posterior probability of the internal structure parameters. cINNs are a special type of neural network which excel in solving inverse problems. We constructed a cINN using FrEIA, which was then trained on a database of $5.6\cdot 10^6$ internal structure models to recover the inverse mapping between internal structure parameters and observable features (i.e., planetary mass, planetary radius and composition of the host star). The cINN method was compared to a Metropolis-Hastings MCMC. For that we repeated the characterization of the exoplanet K2-111 b, using both the MCMC method and the trained cINN. We show that the inferred posterior probability of the internal structure parameters from both methods are very similar, with the biggest differences seen in the exoplanet's water content. Thus cINNs are a possible alternative to the standard time-consuming sampling methods. Indeed, using cINNs allows for orders of magnitude faster inference of an exoplanet's composition than what is possible using an MCMC method, however, it still requires the computation of a large database of internal structures to train the cINN. Since this database is only computed once, we found that using a cINN is more efficient than an MCMC, when more than 10 exoplanets are characterized using the same cINN.
Submodularity In Machine Learning and Artificial Intelligence
In this manuscript, we offer a gentle review of submodularity and supermodularity and their properties. We offer a plethora of submodular definitions; a full description of a number of example submodular functions and their generalizations; example discrete constraints; a discussion of basic algorithms for maximization, minimization, and other operations; a brief overview of continuous submodular extensions; and some historical applications. We then turn to how submodularity is useful in machine learning and artificial intelligence. This includes summarization, and we offer a complete account of the differences between and commonalities amongst sketching, coresets, extractive and abstractive summarization in NLP, data distillation and condensation, and data subset selection and feature selection. We discuss a variety of ways to produce a submodular function useful for machine learning, including heuristic hand-crafting, learning or approximately learning a submodular function or aspects thereof, and some advantages of the use of a submodular function as a coreset producer. We discuss submodular combinatorial information functions, and how submodularity is useful for clustering, data partitioning, parallel machine learning, active and semi-supervised learning, probabilistic modeling, and structured norms and loss functions.
Unified Perspective on Probability Divergence via Maximum Likelihood Density Ratio Estimation: Bridging KL-Divergence and Integral Probability Metrics
Kato, Masahiro, Imaizumi, Masaaki, Minami, Kentaro
This paper provides a unified perspective for the Kullback-Leibler (KL)-divergence and the integral probability metrics (IPMs) from the perspective of maximum likelihood density-ratio estimation (DRE). Both the KL-divergence and the IPMs are widely used in various fields in applications such as generative modeling. However, a unified understanding of these concepts has still been unexplored. In this paper, we show that the KL-divergence and the IPMs can be represented as maximal likelihoods differing only by sampling schemes, and use this result to derive a unified form of the IPMs and a relaxed estimation method. To develop the estimation problem, we construct an unconstrained maximum likelihood estimator to perform DRE with a stratified sampling scheme. We further propose a novel class of probability divergences, called the Density Ratio Metrics (DRMs), that interpolates the KL-divergence and the IPMs. In addition to these findings, we also introduce some applications of the DRMs, such as DRE and generative adversarial networks. In experiments, we validate the effectiveness of our proposed methods.
Probability and Statistics for Business and Data Science
Probability for improved business decisions: Introduction, Combinatorics, Bayesian Inference, Distributions. Welcome to Probability and Statistics for Business and Data Science! In this course we cover what you need to know about probability and statistics to succeed in business and the data science field! This practical course will go over theory and implementation of statistics to real world problems. Each section has example problems, in course quizzes, and assessment tests.
A Safety-Critical Decision Making and Control Framework Combining Machine Learning and Rule-based Algorithms
Aksjonov, Andrei, Kyrki, Ville
While artificial-intelligence-based methods suffer from lack of transparency, rule-based methods dominate in safety-critical systems. Yet, the latter cannot compete with the first ones in robustness to multiple requirements, for instance, simultaneously addressing safety, comfort, and efficiency. Hence, to benefit from both methods they must be joined in a single system. This paper proposes a decision making and control framework, which profits from advantages of both the rule- and machine-learning-based techniques while compensating for their disadvantages. The proposed method embodies two controllers operating in parallel, called Safety and Learned. A rule-based switching logic selects one of the actions transmitted from both controllers. The Safety controller is prioritized every time, when the Learned one does not meet the safety constraint, and also directly participates in the safe Learned controller training. Decision making and control in autonomous driving is chosen as the system case study, where an autonomous vehicle learns a multi-task policy to safely cross an unprotected intersection. Multiple requirements (i.e., safety, efficiency, and comfort) are set for vehicle operation. A numerical simulation is performed for the proposed framework validation, where its ability to satisfy the requirements and robustness to changing environment is successfully demonstrated.
Generalized Bayesian Upper Confidence Bound with Approximate Inference for Bandit Problems
Huang, Ziyi, Lam, Henry, Meisami, Amirhossein, Zhang, Haofeng
Bayesian bandit algorithms with approximate inference have been widely used in practice with superior performance. Yet, few studies regarding the fundamental understanding of their performances are available. In this paper, we propose a Bayesian bandit algorithm, which we call Generalized Bayesian Upper Confidence Bound (GBUCB), for bandit problems in the presence of approximate inference. Our theoretical analysis demonstrates that in Bernoulli multi-armed bandit, GBUCB can achieve $O(\sqrt{T}(\log T)^c)$ frequentist regret if the inference error measured by symmetrized Kullback-Leibler divergence is controllable. This analysis relies on a novel sensitivity analysis for quantile shifts with respect to inference errors. To our best knowledge, our work provides the first theoretical regret bound that is better than $o(T)$ in the setting of approximate inference. Our experimental evaluations on multiple approximate inference settings corroborate our theory, showing that our GBUCB is consistently superior to BUCB and Thompson sampling.