Uncertainty
Scalable Marginal Likelihood Estimation for Model Selection in Deep Learning
Immer, Alexander, Bauer, Matthias, Fortuin, Vincent, Rätsch, Gunnar, Khan, Mohammad Emtiyaz
Marginal-likelihood based model-selection, even though promising, is rarely used in deep learning due to estimation difficulties. Instead, most approaches rely on validation data, which may not be readily available. In this work, we present a scalable marginal-likelihood estimation method to select both the hyperparameters and network architecture based on the training data alone. Some hyperparameters can be estimated online during training, simplifying the procedure. Our marginal-likelihood estimate is based on Laplace's method and Gauss-Newton approximations to the Hessian, and it outperforms cross-validation and manual-tuning on standard regression and image classification datasets, especially in terms of calibration and out-of-distribution detection. Our work shows that marginal likelihoods can improve generalization and be useful when validation data is unavailable (e.g., in nonstationary settings).
Bayesian Model Averaging for Data Driven Decision Making when Causality is Partially Known
Papamichalis, Marios, Ray, Abhishek, Bilionis, Ilias, Kannan, Karthik, Krishnamurthy, Rajiv
Probabilistic machine learning models are often insufficient to help with decisions on interventions because those models find correlations - not causal relationships. If observational data is only available and experimentation are infeasible, the correct approach to study the impact of an intervention is to invoke Pearl's causality framework. Even that framework assumes that the underlying causal graph is known, which is seldom the case in practice. When the causal structure is not known, one may use out-of-the-box algorithms to find causal dependencies from observational data. However, there exists no method that also accounts for the decision-maker's prior knowledge when developing the causal structure either. The objective of this paper is to develop rational approaches for making decisions from observational data in the presence of causal graph uncertainty and prior knowledge from the decision-maker. We use ensemble methods like Bayesian Model Averaging (BMA) to infer set of causal graphs that can represent the data generation process. We provide decisions by computing the expected value and risk of potential interventions explicitly. We demonstrate our approach by applying them in different example contexts.
Robotic Assistant Agent for Student and Machine Co-Learning on AI-FML Practice with AIoT Application
Lee, Chang-Shing, Wang, Mei-Hui, Ciou, Zong-Han, Chang, Rin-Pin, Tsai, Chun-Hao, Chen, Shen-Chien, Huang, Tzong-Xiang, Sato-Shimokawara, Eri, Yamaguchi, Toru
In this paper, the Robotic Assistant Agent for student and machine co-learning on AI-FML practice with AIoT application is presented. The structure of AI-FML contains three parts, including fuzzy logic, neural network, and evolutionary computation. Besides, the Robotic Assistant Agent (RAA) can assist students and machines in co-learning English and AI-FML practice based on the robot Kebbi Air and AIoT-FML learning tool. Since Sept. 2019, we have introduced an Intelligent Speaking English Assistant (ISEA) App and AI-FML platform to English and computer science learning classes at two elementary schools in Taiwan. We use the collected English-learning data to train a predictive regression model based on students' monthly examination scores. In Jan. 2021, we further combined the developed AI-FML platform with a novel AIoT-FML learning tool to enhance students' interests in learning English and AI-FML with basic hands-on practice. The proposed RAA is responsible for reasoning students' learning performance and showing the results on the AIoT-FML learning tool after communicating with the AI-FML platform. The experimental results and the collection of students' feedback show that this kind of learning model is popular with elementary-school and high-school students, and the learning performance of elementary-school students is improved.
Selective Probabilistic Classifier Based on Hypothesis Testing
Germi, Saeed Bakhshi, Rahtu, Esa, Huttunen, Heikki
In this paper, we propose a simple yet effective method to deal with the violation of the Closed-World Assumption for a classifier. Previous works tend to apply a threshold either on the classification scores or the loss function to reject the inputs that violate the assumption. However, these methods cannot achieve the low False Positive Ratio (FPR) required in safety applications. The proposed method is a rejection option based on hypothesis testing with probabilistic networks. With probabilistic networks, it is possible to estimate the distribution of outcomes instead of a single output. By utilizing Z-test over the mean and standard deviation for each class, the proposed method can estimate the statistical significance of the network certainty and reject uncertain outputs. The proposed method was experimented on with different configurations of the COCO and CIFAR datasets. The performance of the proposed method is compared with the Softmax Response, which is a known top-performing method. It is shown that the proposed method can achieve a broader range of operation and cover a lower FPR than the alternative.
Deep Bandits Show-Off: Simple and Efficient Exploration with Deep Networks
Designing efficient exploration is central to Reinforcement Learning due to the fundamental problem posed by the exploration-exploitation dilemma. Bayesian exploration strategies like Thompson Sampling resolve this trade-off in a principled way by modeling and updating the distribution of the parameters of the the action-value function, the outcome model of the environment. However, this technique becomes infeasible for complex environments due to the difficulty of representing and updating probability distributions over parameters of outcome models of corresponding complexity. Moreover, the approximation techniques introduced to mitigate this issue typically result in poor exploration-exploitation trade-offs, as observed in the case of deep neural network models with approximate posterior methods that have been shown to underperform in the deep bandit scenario. In this paper we introduce Sample Average Uncertainty (SAU), a simple and efficient uncertainty measure for contextual bandits. While Bayesian approaches like Thompson Sampling estimate outcomes uncertainty indirectly by first quantifying the variability over the parameters of the outcome model, SAU is a frequentist approach that directly estimates the uncertainty of the outcomes based on the value predictions. Importantly, we show theoretically that the uncertainty measure estimated by SAU asymptotically matches the uncertainty provided by Thompson Sampling, as well as its regret bounds. Because of its simplicity SAU can be seamlessly applied to deep contextual bandits as a very scalable drop-in replacement for epsilon-greedy exploration. Finally, we empirically confirm our theory by showing that SAU-based exploration outperforms current state-of-the-art deep Bayesian bandit methods on several real-world datasets at modest computation cost.
Deep Neural Networks as Point Estimates for Deep Gaussian Processes
Dutordoir, Vincent, Hensman, James, van der Wilk, Mark, Ek, Carl Henrik, Ghahramani, Zoubin, Durrande, Nicolas
Bayesian inference has the potential to improve deep neural networks (DNNs) by providing 1) uncertainty estimates for robust prediction and downstream decision-making, and 2) an objective function (the marginal likelihood) for hyperparameter selection [MacKay, 1992a; 1992b; 2003]. The recent success of deep learning [Krizhevsky et al., 2012; Vaswani et al., 2017; Schrittwieser et al., 2020] has renewed interest in large-scale Bayesian Neural Networks (BNNs) as well, with effort mainly focused on obtaining useful uncertainty estimates [Blundell et al., 2015; Kingma et al., 2015; Gal and Ghahramani, 2016]. Despite already providing usable uncertainty estimates, there is significant evidence that current approximations to the uncertainty on neural network weights can still be significantly improved [Hron et al., 2018; Foong et al., 2020]. The accuracy of the uncertainty approximation is also linked to the quality of the marginal likelihood estimate [Blei et al., 2017]. Since hyperparameter learning using the marginal likelihood fails for most common approximations [e.g., Blundell et al., 2015], the accuracy of the uncertainty estimates is also questionable. Damianou and Lawrence [2013] used Gaussian processes [Rasmussen and Williams, 2006] as layers to create a different Bayesian analogue to a DNN: the Deep Gaussian process (DGP). Gaussian processes (GPs) are a different representation of a single layer neural network, which is promising because it allows high-quality approximations to uncertainty [Titsias, 2009; Burt et al., 2019].
Natural Posterior Network: Deep Bayesian Predictive Uncertainty for Exponential Family Distributions
Charpentier, Bertrand, Borchert, Oliver, Zügner, Daniel, Geisler, Simon, Günnemann, Stephan
Uncertainty awareness is crucial to develop reliable machine learning models. In this work, we propose the Natural Posterior Network (NatPN) for fast and high-quality uncertainty estimation for any task where the target distribution belongs to the exponential family. Thus, NatPN finds application for both classification and general regression settings. Unlike many previous approaches, NatPN does not require out-of-distribution (OOD) data at training time. Instead, it leverages Normalizing Flows to fit a single density on a learned low-dimensional and task-dependent latent space. For any input sample, NatPN uses the predicted likelihood to perform a Bayesian update over the target distribution. Theoretically, NatPN assigns high uncertainty far away from training data. Empirically, our extensive experiments on calibration and OOD detection show that NatPN delivers highly competitive performance for classification, regression and count prediction tasks.
Consistent Density Estimation Under Discrete Mixture Models
This work considers a problem of estimating a mixing probability density $f$ in the setting of discrete mixture models. The paper consists of three parts. The first part focuses on the construction of an $L_1$ consistent estimator of $f$. In particular, under the assumptions that the probability measure $\mu$ of the observation is atomic, and the map from $f$ to $\mu$ is bijective, it is shown that there exists an estimator $f_n$ such that for every density $f$ $\lim_{n\to \infty} \mathbb{E} \left[ \int |f_n -f | \right]=0$. The second part discusses the implementation details. Specifically, it is shown that the consistency for every $f$ can be attained with a computationally feasible estimator. The third part, as a study case, considers a Poisson mixture model. In particular, it is shown that in the Poisson noise setting, the bijection condition holds and, hence, estimation can be performed consistently for every $f$.
Differentially Private Semi-Supervised Transfer Learning
This paper considers the problem of differentially private semi-supervised transfer learning. The notion of membership-mapping is developed using measure theory basis to learn data representation via a fuzzy membership function. An alternative conception of deep autoencoder, referred to as Conditionally Deep Membership-Mapping Autoencoder (CDMMA) (that consists of a nested compositions of membership-mappings), is considered. Under practice-oriented settings, an analytical solution for the learning of CDMFA can be derived by means of variational optimization. The paper proposes a transfer learning approach that combines CDMMA with a tailored noise adding mechanism to achieve a given level of privacy-loss bound with the minimum perturbation of the data. Numerous experiments were carried out using MNIST, USPS, Office, and Caltech256 datasets to verify the competitive robust performance of the proposed methodology.
CREPO: An Open Repository to Benchmark Credal Network Algorithms
Cabañas, Rafael, Antonucci, Alessandro
Credal networks are a popular class of imprecise probabilistic graphical models obtained as a Bayesian network generalization based on, so-called credal, sets of probability mass functions. A Java library called CREMA has been recently released to model, process and query credal networks. Despite the NP-hardness of the (exact) task, a number of algorithms is available to approximate credal network inferences. In this paper we present CREPO, an open repository of synthetic credal networks, provided together with the exact results of inference tasks on these models. A Python tool is also delivered to load these data and interact with CREMA, thus making extremely easy to evaluate and compare existing and novel inference algorithms. To demonstrate such benchmarking scheme, we propose an approximate heuristic to be used inside variable elimination schemes to keep a bound on the maximum number of vertices generated during the combination step. A CREPO-based validation against approximate procedures based on linearization and exact techniques performed in CREMA is finally discussed.