Quantized Random Projections and Non-Linear Estimation of Cosine Similarity
Random projections constitute a simple, yet effective technique for dimensionality reduction with applications in learning and search problems. In the present paper, we consider the problem of estimating cosine similarities when the projected data undergo scalar quantization to $b$ bits. We here argue that the maximum likelihood estimator (MLE) is a principled approach to deal with the non-linearity resulting from quantization, and subsequently study its computational and statistical properties. A specific focus is on the on the trade-off between bit depth and the number of projections given a fixed budget of bits for storage or transmission. Along the way, we also touch upon the existence of a qualitative counterpart to the Johnson-Lindenstrauss lemma in the presence of quantization.
Introspective Classification with Convolutional Nets
We propose introspective convolutional networks (ICN) that emphasize the importance of having convolutional neural networks empowered with generative capabilities. We employ a reclassification-by-synthesis algorithm to perform training using a formulation stemmed from the Bayes theory. Our ICN tries to iteratively: (1) synthesize pseudo-negative samples; and (2) enhance itself by improving the classification. The single CNN classifier learned is at the same time generative --- being able to directly synthesize new samples within its own discriminative model. We conduct experiments on benchmark datasets including MNIST, CIFAR-10, and SVHN using state-of-the-art CNN architectures, and observe improved classification results.
Density Estimation via Discrepancy Based Adaptive Sequential Partition
Given $iid$ observations from an unknown continuous distribution defined on some domain $\Omega$, we propose a nonparametric method to learn a piecewise constant function to approximate the underlying probability density function. Our density estimate is a piecewise constant function defined on a binary partition of $\Omega$. The key ingredient of the algorithm is to use discrepancy, a concept originates from Quasi Monte Carlo analysis, to control the partition process. The resulting algorithm is simple, efficient, and has provable convergence rate. We demonstrate empirically its efficiency as a density estimation method. We also show how it can be utilized to find good initializations for k-means.
Hardness of Online Sleeping Combinatorial Optimization Problems
We show that several online combinatorial optimization problems that admit efficient no-regret algorithms become computationally hard in the sleeping setting where a subset of actions becomes unavailable in each round. Specifically, we show that the sleeping versions of these problems are at least as hard as PAC learning DNF expressions, a long standing open problem. We show hardness for the sleeping versions of Online Shortest Paths, Online Minimum Spanning Tree, Online k-Subsets, Online k-Truncated Permutations, Online Minimum Cut, and Online Bipartite Matching. The hardness result for the sleeping version of the Online Shortest Paths problem resolves an open problem presented at COLT 2015 [Koolen et al., 2015].
Safe Adaptive Importance Sampling
Importance sampling has become an indispensable strategy to speed up optimization algorithms for large-scale applications. Improved adaptive variants -- using importance values defined by the complete gradient information which changes during optimization -- enjoy favorable theoretical properties, but are typically computationally infeasible. In this paper we propose an efficient approximation of gradient-based sampling, which is based on safe bounds on the gradient. The proposed sampling distribution is (i) provably the \emph{best sampling} with respect to the given bounds, (ii) always better than uniform sampling and fixed importance sampling and (iii) can efficiently be computed -- in many applications at negligible extra cost. The proposed sampling scheme is generic and can easily be integrated into existing algorithms. In particular, we show that coordinate-descent (CD) and stochastic gradient descent (SGD) can enjoy significant a speed-up under the novel scheme. The proven efficiency of the proposed sampling is verified by extensive numerical testing.
Total Variation Classes Beyond 1d: Minimax Rates, and the Limitations of Linear Smoothers
We consider the problem of estimating a function defined over $n$ locations on a $d$-dimensional grid (having all side lengths equal to $n^{1/d}$). When the function is constrained to have discrete total variation bounded by $C_n$, we derive the minimax optimal (squared) $\ell_2$ estimation error rate, parametrized by $n, C_n$. Total variation denoising, also known as the fused lasso, is seen to be rate optimal. Several simpler estimators exist, such as Laplacian smoothing and Laplacian eigenmaps. A natural question is: can these simpler estimators perform just as well?
Dynamic Mode Decomposition with Reproducing Kernels for Koopman Spectral Analysis
A spectral analysis of the Koopman operator, which is an infinite dimensional linear operator on an observable, gives a (modal) description of the global behavior of a nonlinear dynamical system without any explicit prior knowledge of its governing equations. In this paper, we consider a spectral analysis of the Koopman operator in a reproducing kernel Hilbert space (RKHS). We propose a modal decomposition algorithm to perform the analysis using finite-length data sequences generated from a nonlinear system. The algorithm is in essence reduced to the calculation of a set of orthogonal bases for the Krylov matrix in RKHS and the eigendecomposition of the projection of the Koopman operator onto the subspace spanned by the bases. The algorithm returns a decomposition of the dynamics into a finite number of modes, and thus it can be thought of as a feature extraction procedure for a nonlinear dynamical system. Therefore, we further consider applications in machine learning using extracted features with the presented analysis. We illustrate the method on the applications using synthetic and real-world data.
Spherical convolutions and their application in molecular modelling
Convolutional neural networks are increasingly used outside the domain of image analysis, in particular in various areas of the natural sciences concerned with spatial data. Such networks often work out-of-the box, and in some cases entire model architectures from image analysis can be carried over to other problem domains almost unaltered. Unfortunately, this convenience does not trivially extend to data in non-euclidean spaces, such as spherical data. In this paper, we introduce two strategies for conducting convolutions on the sphere, using either a spherical-polar grid or a grid based on the cubed-sphere representation. We investigate the challenges that arise in this setting, and extend our discussion to include scenarios of spherical volumes, with several strategies for parameterizing the radial dimension. As a proof of concept, we conclude with an assessment of the performance of spherical convolutions in the context of molecular modelling, by considering structural environments within proteins. We show that the models are capable of learning non-trivial functions in these molecular environments, and that our spherical convolutions generally outperform standard 3D convolutions in this setting. In particular, despite the lack of any domain specific feature-engineering, we demonstrate performance comparable to state-of-the-art methods in the field, which build on decades of domain-specific knowledge.
Deep ADMM-Net for Compressive Sensing MRI
Compressive Sensing (CS) is an effective approach for fast Magnetic Resonance Imaging (MRI). It aims at reconstructing MR image from a small number of under-sampled data in k-space, and accelerating the data acquisition in MRI. To improve the current MRI system in reconstruction accuracy and computational speed, in this paper, we propose a novel deep architecture, dubbed ADMM-Net. ADMM-Net is defined over a data flow graph, which is derived from the iterative procedures in Alternating Direction Method of Multipliers (ADMM) algorithm for optimizing a CS-based MRI model. In the training phase, all parameters of the net, e.g., image transforms, shrinkage functions, etc., are discriminatively trained end-to-end using L-BFGS algorithm. In the testing phase, it has computational overhead similar to ADMM but uses optimized parameters learned from the training data for CS-based reconstruction task. Experiments on MRI image reconstruction under different sampling ratios in k-space demonstrate that it significantly improves the baseline ADMM algorithm and achieves high reconstruction accuracies with fast computational speed.
Professor Forcing: A New Algorithm for Training Recurrent Networks
The Teacher Forcing algorithm trains recurrent networks by supplying observed sequence values as inputs during training and using the network's own one-step-ahead predictions to do multi-step sampling. We introduce the Professor Forcing algorithm, which uses adversarial domain adaptation to encourage the dynamics of the recurrent network to be the same when training the network and when sampling from the network over multiple time steps. We apply Professor Forcing to language modeling, vocal synthesis on raw waveforms, handwriting generation, and image generation. Empirically we find that Professor Forcing acts as a regularizer, improving test likelihood on character level Penn Treebank and sequential MNIST. We also find that the model qualitatively improves samples, especially when sampling for a large number of time steps. This is supported by human evaluation of sample quality. Trade-offs between Professor Forcing and Scheduled Sampling are discussed. We produce T-SNEs showing that Professor Forcing successfully makes the dynamics of the network during training and sampling more similar.