OpenRaiser/Intern-Atlas huggingface dataset:
Gaussian Lower Bound for the Information Bottleneck Limit
Venue: Journal JMLR 2017
Year: 2017

The Information Bottleneck (IB) is a conceptual method for extracting the most compact, yet informative, representation of a set of variables, with respect to the target. It generalizes the notion of minimal sufficient statistics from classical parametric statistics to a broader information-theoretic sense. The IB curve defines the optimal trade-off between representation complexity and its predictive power. Specifically, it is achieved by minimizing the level of mutual information (MI) between the representation and the original variables, subject to a minimal level of MI between the representation and the target. This problem is shown to be in general NP hard. One important exception is the multivariate Gaussian case, for which the Gaussian IB (GIB) is known to obtain an analytical closed form solution, similar to Canonical Correlation Analysis (CCA). In this work we introduce a Gaussian lower bound to the IB curve; we find an embedding of the data which maximizes its "Gaussian part", on which we apply the GIB. This embedding provides an efficient (and practical) representation of any arbitrary data-set (in the IB sense), which in addition holds the favorable properties of a Gaussian distribution. Importantly, we show that the optimal Gaussian embedding is bounded from above by non-linear CCA. This allows a fundamental limit for our ability to Gaussianize arbitrary data-sets and solve complex problems by linear methods.
auDeep: Unsupervised Learning of Representations from Audio with Deep Recurrent Neural Networks
Venue: Journal JMLR 2017
Year: 2017

auDeep is a Python toolkit for deep unsupervised representation learning from acoustic data. It is based on a recurrent sequence to sequence autoencoder approach which can learn representations of time series data by taking into account their temporal dynamics. We provide an extensive command line interface in addition to a Python API for users and developers, both of which are comprehensively documented and publicly available at https://github.com/auDeep/auDeep. Experimental results indicate that auDeep features are competitive with state-of-the art audio classification.
Learning Theory of Distributed Regression with Bias Corrected Regularization Kernel Network
Venue: Journal JMLR 2017
Year: 2017

Distributed learning is an effective way to analyze big data. In distributed regression, a typical approach is to divide the big data into multiple blocks, apply a base regression algorithm on each of them, and then simply average the output functions learnt from these blocks. Since the average process will decrease the variance, not the bias, bias correction is expected to improve the learning performance if the base regression algorithm is a biased one. Regularization kernel network is an effective and widely used method for nonlinear regression analysis. In this paper we will investigate a bias corrected version of regularization kernel network. We derive the error bounds when it is applied to a single data set and when it is applied as a base algorithm in distributed regression. We show that, under certain appropriate conditions, the optimal learning rates can be reached in both situations.
Convergence of Unregularized Online Learning Algorithms
Venue: Journal JMLR 2017
Year: 2017

In this paper we study the convergence of online gradient descent algorithms in reproducing kernel Hilbert spaces (RKHSs) without regularization. We establish a sufficient condition and a necessary condition for the convergence of excess generalization errors in expectation. A sufficient condition for the almost sure convergence is also given. With high probability, we provide explicit convergence rates of the excess generalization errors for both averaged iterates and the last iterate, which in turn also imply convergence rates with probability one. To our best knowledge, this is the first high-probability convergence rate for the last iterate of online gradient descent algorithms without strong convexity. Without any boundedness assumptions on iterates, our results are derived by a novel use of two measures of the algorithm's one-step progress, respectively by generalization errors and by distances in RKHSs, where the variances of the involved martingales are cancelled out by the descent property of the algorithm.
Patchwork Kriging for Large-scale Gaussian Process Regression
Venue: Journal JMLR 2018
Year: 2018

This paper presents a new approach for Gaussian process (GP) regression for large datasets. The approach involves partitioning the regression input domain into multiple local regions with a different local GP model fitted in each region. Unlike existing local partitioned GP approaches, we introduce a technique for patching together the local GP models nearly seamlessly to ensure that the local GP models for two neighboring regions produce nearly the same response prediction and prediction error variance on the boundary between the two regions. This largely mitigates the well-known discontinuity problem that degrades the boundary accuracy of existing local partitioned GP methods. Our main innovation is to represent the continuity conditions as additional pseudo-observations that the differences between neighboring GP responses are identically zero at an appropriately chosen set of boundary input locations. To predict the response at any input location, we simply augment the actual response observations with the pseudo-observations and apply standard GP prediction methods to the augmented data. In contrast to heuristic continuity adjustments, this has an advantage of working within a formal GP framework, so that the GP-based predictive uncertainty quantification remains valid. Our approach also inherits a sparse block-like structure for the sample covariance matrix, which results in computationally efficient closed-form expressions for the predictive mean and variance. In addition, we provide a new spatial partitioning scheme based on a recursive space partitioning along local principal component directions, which makes the proposed approach applicable for regression domains having more than two dimensions. Using three spatial datasets and three higher dimensional datasets, we investigate the numerical performance of the approach and compare it to several state-of-the-art approaches.
On Generalized Bellman Equations and Temporal-Difference Learning
Venue: Journal JMLR 2018
Year: 2018

We consider off-policy temporal-difference (TD) learning in discounted Markov decision processes, where the goal is to evaluate a policy in a model-free way by using observations of a state process generated without executing the policy. To curb the high variance issue in off-policy TD learning, we propose a new scheme of setting the $λ$-parameters of TD, based on generalized Bellman equations. Our scheme is to set $λ$ according to the eligibility trace iterates calculated in TD, thereby easily keeping these traces in a desired bounded range. Compared with prior work, this scheme is more direct and flexible, and allows much larger $λ$ values for off-policy TD learning with bounded traces. As to its soundness, using Markov chain theory, we prove the ergodicity of the joint state-trace process under nonrestrictive conditions, and we show that associated with our scheme is a generalized Bellman equation (for the policy to be evaluated) that depends on both the evolution of $λ$ and the unique invariant probability measure of the state-trace process. These results not only lead immediately to a characterization of the convergence behavior of least-squares based implementation of our scheme, but also prepare the ground for further analysis of gradient-based implementations.
Model-Free Trajectory-based Policy Optimization with Monotonic Improvement
Venue: Journal JMLR 2018
Year: 2018

Many of the recent trajectory optimization algorithms alternate between linear approximation of the system dynamics around the mean trajectory and conservative policy update. One way of constraining the policy change is by bounding the Kullback-Leibler (KL) divergence between successive policies. These approaches already demonstrated great experimental success in challenging problems such as end-to-end control of physical systems. However, the linear approximation of the system dynamics can introduce a bias in the policy update and prevent convergence to the optimal policy. In this article, we propose a new model-free trajectory-based policy optimization algorithm with guaranteed monotonic improvement. The algorithm backpropagates a local, quadratic and time-dependent \qfunc~learned from trajectory data instead of a model of the system dynamics. Our policy update ensures exact KL-constraint satisfaction without simplifying assumptions on the system dynamics. We experimentally demonstrate on highly non-linear control tasks the improvement in performance of our algorithm in comparison to approaches linearizing the system dynamics. In order to show the monotonic improvement of our algorithm, we additionally conduct a theoretical analysis of our policy update scheme to derive a lower bound of the change in policy return between successive iterations.
Design and Analysis of the NIPS 2016 Review Process
Venue: Journal JMLR 2018
Year: 2018

Neural Information Processing Systems (NIPS) is a top-tier annual conference in machine learning. The 2016 edition of the conference comprised more than 2,400 paper submissions, 3,000 reviewers, and 8,000 attendees. This represents a growth of nearly 40% in terms of submissions, 96% in terms of reviewers, and over 100% in terms of attendees as compared to the previous year. The massive scale as well as rapid growth of the conference calls for a thorough quality assessment of the peer-review process and novel means of improvement. In this paper, we analyze several aspects of the data collected during the review process, including an experiment investigating the efficacy of collecting ordinal rankings from reviewers. Our goal is to check the soundness of the review process, and provide insights that may be useful in the design of the review process of subsequent conferences.
Emergence of Invariance and Disentanglement in Deep Representations
Venue: Journal JMLR 2018
Year: 2018

Using established principles from Statistics and Information Theory, we show that invariance to nuisance factors in a deep neural network is equivalent to information minimality of the learned representation, and that stacking layers and injecting noise during training naturally bias the network towards learning invariant representations. We then decompose the cross-entropy loss used during training and highlight the presence of an inherent overfitting term. We propose regularizing the loss by bounding such a term in two equivalent ways: One with a Kullbach-Leibler term, which relates to a PAC-Bayes perspective; the other using the information in the weights as a measure of complexity of a learned model, yielding a novel Information Bottleneck for the weights. Finally, we show that invariance and independence of the components of the representation learned by the network are bounded above and below by the information in the weights, and therefore are implicitly optimized during training. The theory enables us to quantify and predict sharp phase transitions between underfitting and overfitting of random labels when using our regularized loss, which we verify in experiments, and sheds light on the relation between the geometry of the loss function, invariance properties of the learned representation, and generalization error.
Reverse Iterative Volume Sampling for Linear Regression
Venue: Journal JMLR 2018
Year: 2018

We study the following basic machine learning task: Given a fixed set of $d$-dimensional input points for a linear regression problem, we wish to predict a hidden response value for each of the points. We can only afford to attain the responses for a small subset of the points that are then used to construct linear predictions for all points in the dataset. The performance of the predictions is evaluated by the total square loss on all responses (the attained as well as the hidden ones). We show that a good approximate solution to this least squares problem can be obtained from just dimension $d$ many responses by using a joint sampling technique called volume sampling. Moreover, the least squares solution obtained for the volume sampled subproblem is an unbiased estimator of optimal solution based on all n responses. This unbiasedness is a desirable property that is not shared by other common subset selection techniques. Motivated by these basic properties, we develop a theoretical framework for studying volume sampling, resulting in a number of new matrix expectation equalities and statistical guarantees which are of importance not only to least squares regression but also to numerical linear algebra in general. Our methods also lead to a regularized variant of volume sampling, and we propose the first efficient algorithms for volume sampling which make this technique a practical tool in the machine learning toolbox. Finally, we provide experimental evidence which confirms our theoretical findings.
Universal discrete-time reservoir computers with stochastic inputs and linear readouts using non-homogeneous state-affine systems
Venue: Journal JMLR 2018
Year: 2018

A new class of non-homogeneous state-affine systems is introduced for use in reservoir computing. Sufficient conditions are identified that guarantee first, that the associated reservoir computers with linear readouts are causal, time-invariant, and satisfy the fading memory property and second, that a subset of this class is universal in the category of fading memory filters with stochastic almost surely uniformly bounded inputs. This means that any discrete-time filter that satisfies the fading memory property with random inputs of that type can be uniformly approximated by elements in the non-homogeneous state-affine family.
Clustering is semidefinitely not that hard: Nonnegative SDP for manifold disentangling
Venue: Journal JMLR 2018
Year: 2018

In solving hard computational problems, semidefinite program (SDP) relaxations often play an important role because they come with a guarantee of optimality. Here, we focus on a popular semidefinite relaxation of K-means clustering which yields the same solution as the non-convex original formulation for well segregated datasets. We report an unexpected finding: when data contains (greater than zero-dimensional) manifolds, the SDP solution captures such geometrical structures. Unlike traditional manifold embedding techniques, our approach does not rely on manually defining a kernel but rather enforces locality via a nonnegativity constraint. We thus call our approach NOnnegative MAnifold Disentangling, or NOMAD. To build an intuitive understanding of its manifold learning capabilities, we develop a theoretical analysis of NOMAD on idealized datasets. While NOMAD is convex and the globally optimal solution can be found by generic SDP solvers with polynomial time complexity, they are too slow for modern datasets. To address this problem, we analyze a non-convex heuristic and present a new, convex and yet efficient, algorithm, based on the conditional gradient method. Our results render NOMAD a versatile, understandable, and powerful tool for manifold learning.
Inverse Reinforcement Learning via Nonparametric Spatio-Temporal Subgoal Modeling
Venue: Journal JMLR 2018
Year: 2018

Advances in the field of inverse reinforcement learning (IRL) have led to sophisticated inference frameworks that relax the original modeling assumption of observing an agent behavior that reflects only a single intention. Instead of learning a global behavioral model, recent IRL methods divide the demonstration data into parts, to account for the fact that different trajectories may correspond to different intentions, e.g., because they were generated by different domain experts. In this work, we go one step further: using the intuitive concept of subgoals, we build upon the premise that even a single trajectory can be explained more efficiently locally within a certain context than globally, enabling a more compact representation of the observed behavior. Based on this assumption, we build an implicit intentional model of the agent's goals to forecast its behavior in unobserved situations. The result is an integrated Bayesian prediction framework that significantly outperforms existing IRL solutions and provides smooth policy estimates consistent with the expert's plan. Most notably, our framework naturally handles situations where the intentions of the agent change over time and classical IRL algorithms fail. In addition, due to its probabilistic nature, the model can be straightforwardly applied in active learning scenarios to guide the demonstration process of the expert.
Scikit-Multiflow: A Multi-output Streaming Framework
Venue: Journal JMLR 2018
Year: 2018

Scikit-multiflow is a multi-output/multi-label and stream data mining framework for the Python programming language. Conceived to serve as a platform to encourage democratization of stream learning research, it provides multiple state of the art methods for stream learning, stream generators and evaluators. scikit-multiflow builds upon popular open source frameworks including scikit-learn, MOA and MEKA. Development follows the FOSS principles and quality is enforced by complying with PEP8 guidelines and using continuous integration and automatic testing. The source code is publicly available at https://github.com/scikit-multiflow/scikit-multiflow.
Optimal Bounds for Johnson-Lindenstrauss Transformations
Venue: Journal JMLR 2018
Year: 2018

In 1984, Johnson and Lindenstrauss proved that any finite set of data in a high-dimensional space can be projected to a lower-dimensional space while preserving the pairwise Euclidean distance between points up to a bounded relative error. If the desired dimension of the image is too small, however, Kane, Meka, and Nelson (2011) and Jayram and Woodruff (2013) independently proved that such a projection does not exist. In this paper, we provide a precise asymptotic threshold for the dimension of the image, above which, there exists a projection preserving the Euclidean distance, but, below which, there does not exist such a projection.
A Well-Tempered Landscape for Non-convex Robust Subspace Recovery
Venue: Journal JMLR 2019
Year: 2019

We present a mathematical analysis of a non-convex energy landscape for robust subspace recovery. We prove that an underlying subspace is the only stationary point and local minimizer in a specified neighborhood under a deterministic condition on a dataset. If the deterministic condition is satisfied, we further show that a geodesic gradient descent method over the Grassmannian manifold can exactly recover the underlying subspace when the method is properly initialized. Proper initialization by principal component analysis is guaranteed with a simple deterministic condition. Under slightly stronger assumptions, the gradient descent method with a piecewise constant step-size scheme achieves linear convergence. The practicality of the deterministic condition is demonstrated on some statistical models of data, and the method achieves almost state-of-the-art recovery guarantees on the Haystack Model for different regimes of sample size and ambient dimension. In particular, when the ambient dimension is fixed and the sample size is large enough, we show that our gradient method can exactly recover the underlying subspace for any fixed fraction of outliers (less than 1).
Scalable Kernel K-Means Clustering with Nystrom Approximation: Relative-Error Bounds
Venue: Journal JMLR 2019
Year: 2019

Kernel $k$-means clustering can correctly identify and extract a far more varied collection of cluster structures than the linear $k$-means clustering algorithm. However, kernel $k$-means clustering is computationally expensive when the non-linear feature map is high-dimensional and there are many input points. Kernel approximation, e.g., the Nyström method, has been applied in previous works to approximately solve kernel learning problems when both of the above conditions are present. This work analyzes the application of this paradigm to kernel $k$-means clustering, and shows that applying the linear $k$-means clustering algorithm to $\frac{k}ε (1 + o(1))$ features constructed using a so-called rank-restricted Nyström approximation results in cluster assignments that satisfy a $1 + ε$ approximation ratio in terms of the kernel $k$-means cost function, relative to the guarantee provided by the same algorithm without the use of the Nyström method. As part of the analysis, this work establishes a novel $1 + ε$ relative-error trace norm guarantee for low-rank approximation using the rank-restricted Nyström approximation. Empirical evaluations on the $8.1$ million instance MNIST8M dataset demonstrate the scalability and usefulness of kernel $k$-means clustering with Nyström approximation. This work argues that spectral clustering using Nyström approximation---a popular and computationally efficient, but theoretically unsound approach to non-linear clustering---should be replaced with the efficient and theoretically sound combination of kernel $k$-means clustering with Nyström approximation. The superior performance of the latter approach is empirically verified.
Robust Frequent Directions with Application in Online Learning
Venue: Journal JMLR 2019
Year: 2019

The frequent directions (FD) technique is a deterministic approach for online sketching that has many applications in machine learning. The conventional FD is a heuristic procedure that often outputs rank deficient matrices. To overcome the rank deficiency problem, we propose a new sketching strategy called robust frequent directions (RFD) by introducing a regularization term. RFD can be derived from an optimization problem. It updates the sketch matrix and the regularization term adaptively and jointly. RFD reduces the approximation error of FD without increasing the computational cost. We also apply RFD to online learning and propose an effective hyperparameter-free online Newton algorithm. We derive a regret bound for our online Newton algorithm based on RFD, which guarantees the robustness of the algorithm. The experimental studies demonstrate that the proposed method outperforms state-of-the-art second order online learning algorithms.
Accelerated Alternating Projections for Robust Principal Component Analysis
Venue: Journal JMLR 2019
Year: 2019

We study robust PCA for the fully observed setting, which is about separating a low rank matrix $\boldsymbol{L}$ and a sparse matrix $\boldsymbol{S}$ from their sum $\boldsymbol{D}=\boldsymbol{L}+\boldsymbol{S}$. In this paper, a new algorithm, dubbed accelerated alternating projections, is introduced for robust PCA which significantly improves the computational efficiency of the existing alternating projections proposed in [Netrapalli, Praneeth, et al., 2014] when updating the low rank factor. The acceleration is achieved by first projecting a matrix onto some low dimensional subspace before obtaining a new estimate of the low rank matrix via truncated SVD. Exact recovery guarantee has been established which shows linear convergence of the proposed algorithm. Empirical performance evaluations establish the advantage of our algorithm over other state-of-the-art algorithms for robust PCA.