Uncertainty
Semiparametric Bayesian Networks
Atienza, David, Bielza, Concha, Larrañaga, Pedro
We introduce semiparametric Bayesian networks that combine parametric and nonparametric conditional probability distributions. Their aim is to incorporate the advantages of both components: the bounded complexity of parametric models and the flexibility of nonparametric ones. We demonstrate that semiparametric Bayesian networks generalize two well-known types of Bayesian networks: Gaussian Bayesian networks and kernel density estimation Bayesian networks. For this purpose, we consider two different conditional probability distributions required in a semiparametric Bayesian network. In addition, we present modifications of two well-known algorithms (greedy hill-climbing and PC) to learn the structure of a semiparametric Bayesian network from data. To realize this, we employ a score function based on cross-validation. In addition, using a validation dataset, we apply an early-stopping criterion to avoid overfitting. To evaluate the applicability of the proposed algorithm, we conduct an exhaustive experiment on synthetic data sampled by mixing linear and nonlinear functions, multivariate normal data sampled from Gaussian Bayesian networks, real data from the UCI repository, and bearings degradation data. As a result of this experiment, we conclude that the proposed algorithm accurately learns the combination of parametric and nonparametric components, while achieving a performance comparable with those provided by state-of-the-art methods.
Adaptive variational Bayes: Optimality, computation and applications
In this paper, we explore adaptive inference based on variational Bayes. Although a number of studies have been conducted to analyze contraction properties of variational posteriors, there is still a lack of a general and computationally tractable variational Bayes method that can achieve adaptive optimal contraction of the variational posterior. We propose a novel variational Bayes framework, called adaptive variational Bayes, which can operate on a collection of models with varying dimensions and structures. The proposed framework combines variational posteriors over individual models with certain weights to obtain a variational posterior over the entire model. It turns out that this combined variational posterior minimizes the Kullback-Leibler divergence to the original posterior distribution. We show that the proposed variational posterior achieves optimal contraction rates adaptively under very general conditions and attains model selection consistency when the true model structure exists. We apply the general results obtained for the adaptive variational Bayes to several examples including deep learning models and derive some new and adaptive inference results. Moreover, we consider the use of quasi-likelihood in our framework. We formulate conditions on the quasi-likelihood to ensure the adaptive optimality and discuss specific applications to stochastic block models and nonparametric regression with sub-Gaussian errors.
Estimation of Bivariate Structural Causal Models by Variational Gaussian Process Regression Under Likelihoods Parametrised by Normalising Flows
Reick, Nico, Wiewel, Felix, Bartler, Alexander, Yang, Bin
One major drawback of state-of-the-art artificial intelligence is its lack of explainability. One approach to solve the problem is taking causality into account. Causal mechanisms can be described by structural causal models. In this work, we propose a method for estimating bivariate structural causal models using a combination of normalising flows applied to density estimation and variational Gaussian process regression for post-nonlinear models. It facilitates causal discovery, i.e. distinguishing cause and effect, by either the independence of cause and residual or a likelihood ratio test. Our method which estimates post-nonlinear models can better explain a variety of real-world cause-effect pairs than a simple additive noise model. Though it remains difficult to exploit this benefit regarding all pairs from the T\"ubingen benchmark database, we demonstrate that combining the additive noise model approach with our method significantly enhances causal discovery.
Learning Neural Causal Models with Active Interventions
Scherrer, Nino, Bilaniuk, Olexa, Annadani, Yashas, Goyal, Anirudh, Schwab, Patrick, Schölkopf, Bernhard, Mozer, Michael C., Bengio, Yoshua, Bauer, Stefan, Ke, Nan Rosemary
Discovering causal structures from data is a challenging inference problem of fundamental importance in all areas of science. The appealing scaling properties of neural networks have recently led to a surge of interest in differentiable neural network-based methods for learning causal structures from data. So far differentiable causal discovery has focused on static datasets of observational or interventional origin. In this work, we introduce an active intervention-targeting mechanism which enables a quick identification of the underlying causal structure of the data-generating process. Our method significantly reduces the required number of interactions compared with random intervention targeting and is applicable for both discrete and continuous optimization formulations of learning the underlying directed acyclic graph (DAG) from data. We examine the proposed method across a wide range of settings and demonstrate superior performance on multiple benchmarks from simulated to real-world data. Learning causal structure from data is a challenging but important task that lies at the heart of scientific reasoning and accompanying progress in many disciplines (Sachs et al., 2005; Hill et al., 2016; Lauritzen & Spiegelhalter, 1988; Korb & Nicholson, 2010). While there exists a plethora of methods for the task, computationally and statistically more efficient algorithms are highly desired (Heinze-Deml et al., 2018). As a result, there has been a surge in interest in differentiable structure learning and the combination of deep learning and causal inference (Schölkopf et al., 2021). However, the improvement critically depends on the experiments and interventions available. Despite advances in high-throughput methods for interventional data in specific fields (Dixit et al., 2016), the acquisition of interventional samples in the general settings tends to be costly, technically impossible or even unethical for specific interventions.
Artificial Intelligence and Its Application in Optimization under Uncertainty
Nowadays, the increase in data acquisition and availability and complexity around optimization make it imperative to jointly use artificial intelligence (AI) and optimization for devising data-driven and intelligent decision support systems (DSS). A DSS can be successful if large amounts of interactive data proceed fast and robustly and extract useful information and knowledge to help decision-making. In this context, the data-driven approach has gained prominence due to its provision of insights for decision-making and easy implementation. The data-driven approach can discover various database patterns without relying on prior knowledge while also handling flexible objectives and multiple scenarios. This chapter reviews recent advances in data-driven optimization, highlighting the promise of data-driven optimization that integrates mathematical programming and machine learning (ML) for decision-making under uncertainty and identifies potential research opportunities. This chapter provides guidelines and implications for researchers, managers, and practitioners in operations research who want to advance their decision-making capabilities under uncertainty concerning data-driven optimization. Then, a comprehensive review and classification of the relevant publications on the data-driven stochastic program, data-driven robust optimization, and data-driven chance-constrained are presented. This chapter also identifies fertile avenues for future research that focus on deep-data-driven optimization, deep data-driven models, as well as online learning-based data-driven optimization. Perspectives on reinforcement learning (RL)-based data-driven optimization and deep RL for solving NP-hard problems are discussed. We investigate the application of data-driven optimization in different case studies to demonstrate improvements in operational performance over conventional optimization methodology. Finally, some managerial implications and some future directions are provided.
Robust Importance Sampling for Error Estimation in the Context of Optimal Bayesian Transfer Learning
Maddouri, Omar, Qian, Xiaoning, Alexander, Francis J., Dougherty, Edward R., Yoon, Byung-Jun
Classification has been a major task for building intelligent systems as it enables decision-making under uncertainty. Classifier design aims at building models from training data for representing feature-label distributions--either explicitly or implicitly. In many scientific or clinical settings, training data are typically limited, which makes designing accurate classifiers and evaluating their classification error extremely challenging. While transfer learning (TL) can alleviate this issue by incorporating data from relevant source domains to improve learning in a different target domain, it has received little attention for performance assessment, notably in error estimation. In this paper, we fill this gap by investigating knowledge transferability in the context of classification error estimation within a Bayesian paradigm. We introduce a novel class of Bayesian minimum mean-square error (MMSE) estimators for optimal Bayesian transfer learning (OBTL), which enables rigorous evaluation of classification error under uncertainty in a small-sample setting. Using Monte Carlo importance sampling, we employ the proposed estimator to evaluate the classification accuracy of a broad family of classifiers that span diverse learning capabilities. Experimental results based on both synthetic data as well as real-world RNA sequencing (RNA-seq) data show that our proposed OBTL error estimation scheme clearly outperforms standard error estimators, especially in a small-sample setting, by tapping into the data from other relevant domains.
Top 10 Machine Learning Algorithms You Should Know in 2021
Nowadays businesses are focusing on automation. They are trying to automate all manual tasks that consume a lot of human effort and time. Today machine learning algorithms have taken over the process that was considered to be mundane or dangerous. Technology is continuously churning businesses making them efficient, smarter, and capable. As technology has become accessible, new innovations in business processes have emerged. The technology revolution was triggered by the democratization of computing tools and techniques which are now easily available.
Multi-label Classification via Adaptive Resonance Theory-based Clustering
Masuyama, Naoki, Nojima, Yusuke, Loo, Chu Kiong, Ishibuchi, Hisao
This paper proposes a multi-label classification algorithm capable of continual learning by applying an Adaptive Resonance Theory (ART)-based clustering algorithm and the Bayesian approach for label probability computation. The ART-based clustering algorithm adaptively and continually generates prototype nodes corresponding to given data, and the generated nodes are used as classifiers. The label probability computation independently counts the number of label appearances for each class and calculates the Bayesian probabilities. Thus, the label probability computation can cope with an increase in the number of labels. Experimental results with synthetic and real-world multi-label datasets show that the proposed algorithm has competitive classification performance to other well-known algorithms while realizing continual learning.
Some Inapproximability Results of MAP Inference and Exponentiated Determinantal Point Processes
We study the computational complexity of two hard problems on determinantal point processes (DPPs). One is maximum a posteriori (MAP) inference, i.e., to find a principal submatrix having the maximum determinant. The other is probabilistic inference on exponentiated DPPs (E-DPPs), which can sharpen or weaken the diversity preference of DPPs with an exponent parameter $p$. We prove the following complexity-theoretic hardness results that explain the difficulty in approximating MAP inference and the normalizing constant for E-DPPs. 1. Unconstrained MAP inference for an $n \times n$ matrix is NP-hard to approximate within a factor of $2^{\beta n}$, where $\beta = 10^{-10^{13}} $. This result improves upon a $(\frac{9}{8}-\epsilon)$-factor inapproximability given by Kulesza and Taskar (2012). 2. Log-determinant maximization is NP-hard to approximate within a factor of $\frac{5}{4}$ for the unconstrained case and within a factor of $1+10^{-10^{13}}$ for the size-constrained monotone case. 3. The normalizing constant for E-DPPs of any (fixed) constant exponent $p \geq \beta^{-1} = 10^{10^{13}}$ is NP-hard to approximate within a factor of $2^{\beta pn}$. This gives a(nother) negative answer to open questions posed by Kulesza and Taskar (2012); Ohsaka and Matsuoka (2020).
Fuzzy Clustering Using HDBSCAN
Like most undergraduates right out of college with little to no first-hand experience working on industry ML projects and loads of ML/python certifications, I joined the Business Intelligence team at Samsung. There were 3 new hires in the team and there was only 1 Data Scientist (DS) position available, the other 2 were Data Engineering. With the 3 of us riding the ML wave, we all sought the Data Scientist position. During the first meeting with our manager, you can imagine the amount of malarkey all the candidates spat out to get the position. We were given a 3-week trial period during which each of us had a Data Engineering pipeline to build and perform an Exploratory Data Analysis on a given dataset.