Uncertainty
A Complete Criterion for Value of Information in Soluble Influence Diagrams
van Merwijk, Chris, Carey, Ryan, Everitt, Tom
Influence diagrams have recently been used to analyse the safety and fairness properties of AI systems. A key building block for this analysis is a graphical criterion for value of information (VoI). This paper establishes the first complete graphical criterion for VoI in influence diagrams with multiple decisions. Along the way, we establish two important techniques for proving properties of multi-decision influence diagrams: ID homomorphisms are structure-preserving transformations of influence diagrams, while a Tree of Systems is collection of paths that captures how information and control can flow in an influence diagram.
High-quality Thermal Gibbs Sampling with Quantum Annealing Hardware
Nelson, Jon, Vuffray, Marc, Lokhov, Andrey Y., Albash, Tameem, Coffrin, Carleton
Quantum Annealing (QA) was originally intended for accelerating the solution of combinatorial optimization tasks that have natural encodings as Ising models. However, recent experiments on QA hardware platforms have demonstrated that, in the operating regime corresponding to weak interactions, the QA hardware behaves like a noisy Gibbs sampler at a hardware-specific effective temperature. This work builds on those insights and identifies a class of small hardware-native Ising models that are robust to noise effects and proposes a procedure for executing these models on QA hardware to maximize Gibbs sampling performance. Experimental results indicate that the proposed protocol results in high-quality Gibbs samples from a hardware-specific effective temperature. Furthermore, we show that this effective temperature can be adjusted by modulating the annealing time and energy scale. The procedure proposed in this work provides an approach to using QA hardware for Ising model sampling presenting potential new opportunities for applications in machine learning and physics simulation.
On PAC-Bayesian reconstruction guarantees for VAEs
Chรฉrief-Abdellatif, Badr-Eddine, Shi, Yuyang, Doucet, Arnaud, Guedj, Benjamin
Despite its wide use and empirical successes, the theoretical understanding and study of the behaviour and performance of the variational autoencoder (VAE) have only emerged in the past few years. We contribute to this recent line of work by analysing the VAE's reconstruction ability for unseen test data, leveraging arguments from the PAC-Bayes theory. We provide generalisation bounds on the theoretical reconstruction error, and provide insights on the regularisation effect of VAE objectives. We illustrate our theoretical results with supporting experiments on classical benchmark datasets.
Wide Mean-Field Bayesian Neural Networks Ignore the Data
Coker, Beau, Bruinsma, Wessel P., Burt, David R., Pan, Weiwei, Doshi-Velez, Finale
Bayesian neural networks (BNNs) combine the expressive power of deep learning with the advantages of Bayesian formalism. In recent years, the analysis of wide, deep BNNs has provided theoretical insight into their priors and posteriors. However, we have no analogous insight into their posteriors under approximate inference. In this work, we show that mean-field variational inference entirely fails to model the data when the network width is large and the activation function is odd. Specifically, for fully-connected BNNs with odd activation functions and a homoscedastic Gaussian likelihood, we show that the optimal mean-field variational posterior predictive (i.e., function space) distribution converges to the prior predictive distribution as the width tends to infinity. We generalize aspects of this result to other likelihoods. Our theoretical results are suggestive of underfitting behavior previously observered in BNNs. While our convergence bounds are non-asymptotic and constants in our analysis can be computed, they are currently too loose to be applicable in standard training regimes. Finally, we show that the optimal approximate posterior need not tend to the prior if the activation function is not odd, showing that our statements cannot be generalized arbitrarily.
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 present several complexity-theoretic hardness results that explain the difficulty in approximating MAP inference and the normalizing constant for E-DPPs. We first prove that unconstrained MAP inference for an n ร n matrix is NP-hard to approximate within a factor of 2ฮฒn, where ฮฒ = 10โ1013 . This result improves upon the best-known inapproximability factor of (9/8 โ ฯต), and rules out the existence of any polynomial-factor approximation algorithm assuming P โ NP. We then show that log-determinant maximization is NP-hard to approximate within a factor of 5/4 for the unconstrained case and within a factor of 1 + 10โ1013 for the size-constrained monotone case. In particular, log-determinant maximization does not admit a polynomial-time approximation scheme unless P = NP. As a corollary of the first result, we demonstrate that the normalizing constant for E-DPPs of any (fixed) constant exponent p โฅ ฮฒ-1 = 101013 is NP-hard to approximate within a factor of 2ฮฒpn, which is in contrast to the case of p โค 1 admitting a fully polynomial-time randomized approximation scheme.
Choquet-Based Fuzzy Rough Sets
Theerens, Adnan, Lenz, Oliver Urs, Cornelis, Chris
Fuzzy rough set theory can be used as a tool for dealing with inconsistent data when there is a gradual notion of indiscernibility between objects. It does this by providing lower and upper approximations of concepts. In classical fuzzy rough sets, the lower and upper approximations are determined using the minimum and maximum operators, respectively. This is undesirable for machine learning applications, since it makes these approximations sensitive to outlying samples. To mitigate this problem, ordered weighted average (OWA) based fuzzy rough sets were introduced. In this paper, we show how the OWA-based approach can be interpreted intuitively in terms of vague quantification, and then generalize it to Choquet-based fuzzy rough sets (CFRS). This generalization maintains desirable theoretical properties, such as duality and monotonicity. Furthermore, it provides more flexibility for machine learning applications. In particular, we show that it enables the seamless integration of outlier detection algorithms, to enhance the robustness of machine learning algorithms based on fuzzy rough sets.
Stochastic Modeling of Inhomogeneities in the Aortic Wall and Uncertainty Quantification using a Bayesian Encoder-Decoder Surrogate
Ranftl, Sascha, Rolf-Pissarczyk, Malte, Wolkerstorfer, Gloria, Pepe, Antonio, Egger, Jan, von der Linden, Wolfgang, Holzapfel, Gerhard A.
Inhomogeneities in the aortic wall can lead to localized stress accumulations, possibly initiating dissection. In many cases, a dissection results from pathological changes such as fragmentation or loss of elastic fibers. But it has been shown that even the healthy aortic wall has an inherent heterogeneous microstructure. Some parts of the aorta are particularly susceptible to the development of inhomogeneities due to pathological changes, however, the distribution in the aortic wall and the spatial extent, such as size, shape, and type, are difficult to predict. Motivated by this observation, we describe the heterogeneous distribution of elastic fiber degradation in the dissected aortic wall using a stochastic constitutive model. For this purpose, random field realizations, which model the stochastic distribution of degraded elastic fibers, are generated over a non-equidistant grid. The random field then serves as input for a uni-axial extension test of the pathological aortic wall, solved with the finite-element (FE) method. To include the microstructure of the dissected aortic wall, a constitutive model developed in a previous study is applied, which also includes an approach to model the degradation of inter-lamellar elastic fibers. Then to assess the uncertainty in the output stress distribution due to this stochastic constitutive model, a convolutional neural network, specifically a Bayesian encoder-decoder, was used as a surrogate model that maps the random input fields to the output stress distribution obtained from the FE analysis. The results show that the neural network is able to predict the stress distribution of the FE analysis while significantly reducing the computational time. In addition, it provides the probability for exceeding critical stresses within the aortic wall, which could allow for the prediction of delamination or fatal rupture.
Generalized Bayesian Additive Regression Trees Models: Beyond Conditional Conjugacy
Bayesian additive regression trees have seen increased interest in recent years due to their ability to combine machine learning techniques with principled uncertainty quantification. The Bayesian backfitting algorithm used to fit BART models, however, limits their application to a small class of models for which conditional conjugacy exists. In this article, we greatly expand the domain of applicability of BART to arbitrary \emph{generalized BART} models by introducing a very simple, tuning-parameter-free, reversible jump Markov chain Monte Carlo algorithm. Our algorithm requires only that the user be able to compute the likelihood and (optionally) its gradient and Fisher information. The potential applications are very broad; we consider examples in survival analysis, structured heteroskedastic regression, and gamma shape regression.
Accurate Prediction and Uncertainty Estimation using Decoupled Prediction Interval Networks
Patel, Kinjal, Waslander, Steven
We propose a network architecture capable of reliably estimating uncertainty of regression based predictions without sacrificing accuracy. The current state-of-the-art uncertainty algorithms either fall short of achieving prediction accuracy comparable to the mean square error optimization or underestimate the variance of network predictions. We propose a decoupled network architecture that is capable of accomplishing both at the same time. We achieve this by breaking down the learning of prediction and prediction interval (PI) estimations into a two-stage training process. We use a custom loss function for learning a PI range around optimized mean estimation with a desired coverage of a proportion of the target labels within the PI range. We compare the proposed method with current state-of-the-art uncertainty quantification algorithms on synthetic datasets and UCI benchmarks, reducing the error in the predictions by 23 to 34% while maintaining 95% Prediction Interval Coverage Probability (PICP) for 7 out of 9 UCI benchmark datasets. We also examine the quality of our predictive uncertainty by evaluating on Active Learning and demonstrating 17 to 36% error reduction on UCI benchmarks.