Sampling-free Uncertainty Estimation in Gated Recurrent Units with Exponential Families

There has recently been a concerted effort to derive mechanisms in vision and machine learning systems to offer uncertainty estimates of the predictions they make. Clearly, there are enormous benefits to a system that is not only accurate but also has a sense for when it is not sure. Existing proposals center around Bayesian interpretations of modern deep architectures -- these are effective but can often be computationally demanding. We show how classical ideas in the literature on exponential families on probabilistic networks provide an excellent starting point to derive uncertainty estimates in Gated Recurrent Units (GRU). Our proposal directly quantifies uncertainty deterministically, without the need for costly sampling-based estimation. We demonstrate how our model can be used to quantitatively and qualitatively measure uncertainty in unsupervised image sequence prediction. To our knowledge, this is the first result describing sampling-free uncertainty estimation for powerful sequential models such as GRUs.

Building Bayesian Neural Networks with Blocks: On Structure, Interpretability and Uncertainty

We provide simple schemes to build Bayesian Neural Networks (BNNs), block by block, inspired by a recent idea of computation skeletons. We show how by adjusting the types of blocks that are used within the computation skeleton, we can identify interesting relationships with Deep Gaussian Processes (DGPs), deep kernel learning (DKL), random features type approximation and other topics. We give strategies to approximate the posterior via doubly stochastic variational inference for such models which yield uncertainty estimates. We give a detailed theoretical analysis and point out extensions that may be of independent interest. As a special case, we instantiate our procedure to define a Bayesian {\em additive} Neural network -- a promising strategy to identify statistical interactions and has direct benefits for obtaining interpretable models.

Robust Blind Deconvolution via Mirror Descent

We revisit the Blind Deconvolution problem with a focus on understanding its robustness and convergence properties. Provable robustness to noise and other perturbations is receiving recent interest in vision, from obtaining immunity to adversarial attacks to assessing and describing failure modes of algorithms in mission critical applications. Further, many blind deconvolution methods based on deep architectures internally make use of or optimize the basic formulation, so a clearer understanding of how this sub-module behaves, when it can be solved, and what noise injection it can tolerate is a first order requirement. We derive new insights into the theoretical underpinnings of blind deconvolution. The algorithm that emerges has nice convergence guarantees and is provably robust in a sense we formalize in the paper. Interestingly, these technical results play out very well in practice, where on standard datasets our algorithm yields results competitive with or superior to the state of the art. Keywords: blind deconvolution, robust continuous optimization

Constrained Deep Learning using Conditional Gradient and Applications in Computer Vision

A number of results have recently demonstrated the benefits of incorporating various constraints when training deep architectures in vision and machine learning. The advantages range from guarantees for statistical generalization to better accuracy to compression. But support for general constraints within widely used libraries remains scarce and their broader deployment within many applications that can benefit from them remains under-explored. Part of the reason is that Stochastic gradient descent (SGD), the workhorse for training deep neural networks, does not natively deal with constraints with global scope very well. In this paper, we revisit a classical first order scheme from numerical optimization, Conditional Gradients (CG), that has, thus far had limited applicability in training deep models. We show via rigorous analysis how various constraints can be naturally handled by modifications of this algorithm. We provide convergence guarantees and show a suite of immediate benefits that are possible -- from training ResNets with fewer layers but better accuracy simply by substituting in our version of CG to faster training of GANs with 50% fewer epochs in image inpainting applications to provably better generalization guarantees using efficiently implementable forms of recently proposed regularizers.

Finding Differentially Covarying Needles in a Temporally Evolving Haystack: A Scan Statistics Perspective

Recent results in coupled or temporal graphical models offer schemes for estimating the relationship structure between features when the data come from related (but distinct) longitudinal sources. A novel application of these ideas is for analyzing group-level differences, i.e., in identifying if trends of estimated objects (e.g., covariance or precision matrices) are different across disparate conditions (e.g., gender or disease). Often, poor effect sizes make detecting the differential signal over the full set of features difficult: for example, dependencies between only a subset of features may manifest differently across groups. In this work, we first give a parametric model for estimating trends in the space of SPD matrices as a function of one or more covariates. We then generalize scan statistics to graph structures, to search over distinct subsets of features (graph partitions) whose temporal dependency structure may show statistically significant group-wise differences. We theoretically analyze the Family Wise Error Rate (FWER) and bounds on Type 1 and Type 2 error. On a cohort of individuals with risk factors for Alzheimer's disease (but otherwise cognitively healthy), we find scientifically interesting group differences where the default analysis, i.e., models estimated on the full graph, do not survive reasonable significance thresholds.

A Deterministic Nonsmooth Frank Wolfe Algorithm with Coreset Guarantees

We present a new Frank-Wolfe (FW) type algorithm that is applicable to minimization problems with a nonsmooth convex objective. We provide convergence bounds and show that the scheme yields so-called coreset results for various Machine Learning problems including 1-median, Balanced Development, Sparse PCA, Graph Cuts, and the $\ell_1$-norm-regularized Support Vector Machine (SVM) among others. This means that the algorithm provides approximate solutions to these problems in time complexity bounds that are not dependent on the size of the input problem. Our framework, motivated by a growing body of work on sublinear algorithms for various data analysis problems, is entirely deterministic and makes no use of smoothing or proximal operators. Apart from these theoretical results, we show experimentally that the algorithm is very practical and in some cases also offers significant computational advantages on large problem instances. We provide an open source implementation that can be adapted for other problems that fit the overall structure.

Accelerating Permutation Testing in Voxel-wise Analysis through Subspace Tracking: A new plugin for SnPM

Permutation testing is a non-parametric method for obtaining the max null distribution used to compute corrected $p$-values that provide strong control of false positives. In neuroimaging, however, the computational burden of running such an algorithm can be significant. We find that by viewing the permutation testing procedure as the construction of a very large permutation testing matrix, $T$, one can exploit structural properties derived from the data and the test statistics to reduce the runtime under certain conditions. In particular, we see that $T$ is low-rank plus a low-variance residual. This makes $T$ a good candidate for low-rank matrix completion, where only a very small number of entries of $T$ ($\sim0.35\%$ of all entries in our experiments) have to be computed to obtain a good estimate. Based on this observation, we present RapidPT, an algorithm that efficiently recovers the max null distribution commonly obtained through regular permutation testing in voxel-wise analysis. We present an extensive validation on a synthetic dataset and four varying sized datasets against two baselines: Statistical NonParametric Mapping (SnPM13) and a standard permutation testing implementation (referred as NaivePT). We find that RapidPT achieves its best runtime performance on medium sized datasets ($50 \leq n \leq 200$), with speedups of 1.5x - 38x (vs. SnPM13) and 20x-1000x (vs. NaivePT). For larger datasets ($n \geq 200$) RapidPT outperforms NaivePT (6x - 200x) on all datasets, and provides large speedups over SnPM13 when more than 10000 permutations (2x - 15x) are needed. The implementation is a standalone toolbox and also integrated within SnPM13, able to leverage multi-core architectures when available.

The Incremental Multiresolution Matrix Factorization Algorithm

Multiresolution analysis and matrix factorization are foundational tools in computer vision. In this work, we study the interface between these two distinct topics and obtain techniques to uncover hierarchical block structure in symmetric matrices -- an important aspect in the success of many vision problems. Our new algorithm, the incremental multiresolution matrix factorization, uncovers such structure one feature at a time, and hence scales well to large matrices. We describe how this multiscale analysis goes much farther than what a direct global factorization of the data can identify. We evaluate the efficacy of the resulting factorizations for relative leveraging within regression tasks using medical imaging data. We also use the factorization on representations learned by popular deep networks, providing evidence of their ability to infer semantic relationships even when they are not explicitly trained to do so. We show that this algorithm can be used as an exploratory tool to improve the network architecture, and within numerous other settings in vision.

On architectural choices in deep learning: From network structure to gradient convergence and parameter estimation

We study mechanisms to characterize how the asymptotic convergence of backpropagation in deep architectures, in general, is related to the network structure, and how it may be influenced by other design choices including activation type, denoising and dropout rate. We seek to analyze whether network architecture and input data statistics may guide the choices of learning parameters and vice versa. Given the broad applicability of deep architectures, this issue is interesting both from theoretical and a practical standpoint. Using properties of general nonconvex objectives (with first-order information), we first build the association between structural, distributional and learnability aspects of the network vis-\`a-vis their interaction with parameter convergence rates. We identify a nice relationship between feature denoising and dropout, and construct families of networks that achieve the same level of convergence. We then derive a workflow that provides systematic guidance regarding the choice of network sizes and learning parameters often mediated4 by input statistics. Our technical results are corroborated by an extensive set of evaluations, presented in this paper as well as independent empirical observations reported by other groups. We also perform experiments showing the practical implications of our framework for choosing the best fully-connected design for a given problem.

Convergence rates for pretraining and dropout: Guiding learning parameters using network structure

Unsupervised pretraining and dropout have been well studied, especially with respect to regularization and output consistency. However, our understanding about the explicit convergence rates of the parameter estimates, and their dependence on the learning (like denoising and dropout rate) and structural (like depth and layer lengths) aspects of the network is less mature. An interesting question in this context is to ask if the network structure could "guide" the choices of such learning parameters. In this work, we explore these gaps between network structure, the learning mechanisms and their interaction with parameter convergence rates. We present a way to address these issues based on the backpropagation convergence rates for general nonconvex objectives using first-order information. We then incorporate two learning mechanisms into this general framework -- denoising autoencoder and dropout, and subsequently derive the convergence rates of deep networks. Building upon these bounds, we provide insights into the choices of learning parameters and network sizes that achieve certain levels of convergence accuracy. The results derived here support existing empirical observations, and we also conduct a set of experiments to evaluate them.