OpenRaiser/Intern-Atlas huggingface dataset:
Geomstats:  A Python Package for Riemannian Geometry in Machine Learning
Venue: Journal JMLR 2020
Year: 2020

We introduce Geomstats, an open-source Python toolbox for computations and statistics on nonlinear manifolds, such as hyperbolic spaces, spaces of symmetric positive definite matrices, Lie groups of transformations, and many more. We provide object-oriented and extensively unit-tested implementations. Among others, manifolds come equipped with families of Riemannian metrics, with associated exponential and logarithmic maps, geodesics and parallel transport. Statistics and learning algorithms provide methods for estimation, clustering and dimension reduction on manifolds. All associated operations are vectorized for batch computation and provide support for different execution backends, namely NumPy, PyTorch and TensorFlow, enabling GPU acceleration. This paper presents the package, compares it with related libraries and provides relevant code examples. We show that Geomstats provides reliable building blocks to foster research in differential geometry and statistics, and to democratize the use of Riemannian geometry in machine learning applications. The source code is freely available under the MIT license at \url{geomstats.ai}.
Successor Features Combine Elements of Model-Free and Model-based Reinforcement Learning
Venue: Journal JMLR 2020
Year: 2020

A key question in reinforcement learning is how an intelligent agent can generalize knowledge across different inputs. By generalizing across different inputs, information learned for one input can be immediately reused for improving predictions for another input. Reusing information allows an agent to compute an optimal decision-making strategy using less data. State representation is a key element of the generalization process, compressing a high-dimensional input space into a low-dimensional latent state space. This article analyzes properties of different latent state spaces, leading to new connections between model-based and model-free reinforcement learning. Successor features, which predict frequencies of future observations, form a link between model-based and model-free learning: Learning to predict future expected reward outcomes, a key characteristic of model-based agents, is equivalent to learning successor features. Learning successor features is a form of temporal difference learning and is equivalent to learning to predict a single policy's utility, which is a characteristic of model-free agents. Drawing on the connection between model-based reinforcement learning and successor features, we demonstrate that representations that are predictive of future reward outcomes generalize across variations in both transitions and rewards. This result extends previous work on successor features, which is constrained to fixed transitions and assumes re-learning of the transferred state representation.
Derivative-Free Methods for Policy Optimization: Guarantees for Linear Quadratic Systems
Venue: Journal JMLR 2020
Year: 2020

We study derivative-free methods for policy optimization over the class of linear policies. We focus on characterizing the convergence rate of these methods when applied to linear-quadratic systems, and study various settings of driving noise and reward feedback. We show that these methods provably converge to within any pre-specified tolerance of the optimal policy with a number of zero-order evaluations that is an explicit polynomial of the error tolerance, dimension, and curvature properties of the problem. Our analysis reveals some interesting differences between the settings of additive driving noise and random initialization, as well as the settings of one-point and two-point reward feedback. Our theory is corroborated by extensive simulations of derivative-free methods on these systems. Along the way, we derive convergence rates for stochastic zero-order optimization algorithms when applied to a certain class of non-convex problems.
Empirical Risk Minimization in the Non-interactive Local Model of Differential Privacy
Venue: Journal JMLR 2020
Year: 2020

In this paper, we study the Empirical Risk Minimization (ERM) problem in the non-interactive Local Differential Privacy (LDP) model. Previous research on this problem \citep{smith2017interaction} indicates that the sample complexity, to achieve error $α$, needs to be exponentially depending on the dimensionality $p$ for general loss functions. In this paper, we make two attempts to resolve this issue by investigating conditions on the loss functions that allow us to remove such a limit. In our first attempt, we show that if the loss function is $(\infty, T)$-smooth, by using the Bernstein polynomial approximation we can avoid the exponential dependency in the term of $α$. We then propose player-efficient algorithms with $1$-bit communication complexity and $O(1)$ computation cost for each player. The error bound of these algorithms is asymptotically the same as the original one. With some additional assumptions, we also give an algorithm which is more efficient for the server. In our second attempt, we show that for any $1$-Lipschitz generalized linear convex loss function, there is an $(ε, δ)$-LDP algorithm whose sample complexity for achieving error $α$ is only linear in the dimensionality $p$. Our results use a polynomial of inner product approximation technique. Finally, motivated by the idea of using polynomial approximation and based on different types of polynomial approximations, we propose (efficient) non-interactive locally differentially private algorithms for learning the set of k-way marginal queries and the set of smooth queries.
Gradient Descent for Sparse Rank-One Matrix Completion for Crowd-Sourced Aggregation of Sparsely Interacting Workers
Venue: Journal JMLR 2020
Year: 2020

We consider worker skill estimation for the single-coin Dawid-Skene crowdsourcing model. In practice, skill-estimation is challenging because worker assignments are sparse and irregular due to the arbitrary and uncontrolled availability of workers. We formulate skill estimation as a rank-one correlation-matrix completion problem, where the observed components correspond to observed label correlations between workers. We show that the correlation matrix can be successfully recovered and skills are identifiable if and only if the sampling matrix (observed components) does not have a bipartite connected component. We then propose a projected gradient descent scheme and show that skill estimates converge to the desired global optima for such sampling matrices. Our proof is original and the results are surprising in light of the fact that even the weighted rank-one matrix factorization problem is NP-hard in general. Next, we derive sample complexity bounds in terms of spectral properties of the signless Laplacian of the sampling matrix. Our proposed scheme achieves state-of-art performance on a number of real-world datasets.
GluonCV and GluonNLP: Deep Learning in Computer Vision and Natural Language Processing
Venue: Journal JMLR 2020
Year: 2020

We present GluonCV and GluonNLP, the deep learning toolkits for computer vision and natural language processing based on Apache MXNet (incubating). These toolkits provide state-of-the-art pre-trained models, training scripts, and training logs, to facilitate rapid prototyping and promote reproducible research. We also provide modular APIs with flexible building blocks to enable efficient customization. Leveraging the MXNet ecosystem, the deep learning models in GluonCV and GluonNLP can be deployed onto a variety of platforms with different programming languages. The Apache 2.0 license has been adopted by GluonCV and GluonNLP to allow for software distribution, modification, and usage.
Representation Learning for Dynamic Graphs: A Survey
Venue: Journal JMLR 2020
Year: 2020

Graphs arise naturally in many real-world applications including social networks, recommender systems, ontologies, biology, and computational finance. Traditionally, machine learning models for graphs have been mostly designed for static graphs. However, many applications involve evolving graphs. This introduces important challenges for learning and inference since nodes, attributes, and edges change over time. In this survey, we review the recent advances in representation learning for dynamic graphs, including dynamic knowledge graphs. We describe existing models from an encoder-decoder perspective, categorize these encoders and decoders based on the techniques they employ, and analyze the approaches in each category. We also review several prominent applications and widely used datasets and highlight directions for future research.
Fast Exact Matrix Completion: A Unified Optimization Framework for Matrix Completion
Venue: Journal JMLR 2020
Year: 2020

We formulate the problem of matrix completion with and without side information as a non-convex optimization problem. We design fastImpute based on non-convex gradient descent and show it converges to a global minimum that is guaranteed to recover closely the underlying matrix while it scales to matrices of sizes beyond $10^5 \times 10^5$. We report experiments on both synthetic and real-world datasets that show fastImpute is competitive in both the accuracy of the matrix recovered and the time needed across all cases. Furthermore, when a high number of entries are missing, fastImpute is over $75\%$ lower in MAPE and $15$ times faster than current state-of-the-art matrix completion methods in both the case with side information and without.
Trust-Region Variational Inference with Gaussian Mixture Models
Venue: Journal JMLR 2020
Year: 2020

Many methods for machine learning rely on approximate inference from intractable probability distributions. Variational inference approximates such distributions by tractable models that can be subsequently used for approximate inference. Learning sufficiently accurate approximations requires a rich model family and careful exploration of the relevant modes of the target distribution. We propose a method for learning accurate GMM approximations of intractable probability distributions based on insights from policy search by using information-geometric trust regions for principled exploration. For efficient improvement of the GMM approximation, we derive a lower bound on the corresponding optimization objective enabling us to update the components independently. Our use of the lower bound ensures convergence to a stationary point of the original objective. The number of components is adapted online by adding new components in promising regions and by deleting components with negligible weight. We demonstrate on several domains that we can learn approximations of complex, multimodal distributions with a quality that is unmet by previous variational inference methods, and that the GMM approximation can be used for drawing samples that are on par with samples created by state-of-the-art MCMC samplers while requiring up to three orders of magnitude less computational resources.
Dynamical Systems as Temporal Feature Spaces
Venue: Journal JMLR 2020
Year: 2020

Parameterized state space models in the form of recurrent networks are often used in machine learning to learn from data streams exhibiting temporal dependencies. To break the black box nature of such models it is important to understand the dynamical features of the input driving time series that are formed in the state space. We propose a framework for rigorous analysis of such state representations in vanishing memory state space models such as echo state networks (ESN). In particular, we consider the state space a temporal feature space and the readout mapping from the state space a kernel machine operating in that feature space. We show that: (1) The usual ESN strategy of randomly generating input-to-state, as well as state coupling leads to shallow memory time series representations, corresponding to cross-correlation operator with fast exponentially decaying coefficients; (2) Imposing symmetry on dynamic coupling yields a constrained dynamic kernel matching the input time series with straightforward exponentially decaying motifs or exponentially decaying motifs of the highest frequency; (3) Simple cycle high-dimensional reservoir topology specified only through two free parameters can implement deep memory dynamic kernels with a rich variety of matching motifs. We quantify richness of feature representations imposed by dynamic kernels and demonstrate that for dynamic kernel associated with cycle reservoir topology, the kernel richness undergoes a phase transition close to the edge of stability.
Distributed Kernel Ridge Regression with Communications
Venue: Journal JMLR 2020
Year: 2020

This paper focuses on generalization performance analysis for distributed algorithms in the framework of learning theory. Taking distributed kernel ridge regression (DKRR) for example, we succeed in deriving its optimal learning rates in expectation and providing theoretically optimal ranges of the number of local processors. Due to the gap between theory and experiments, we also deduce optimal learning rates for DKRR in probability to essentially reflect the generalization performance and limitations of DKRR. Furthermore, we propose a communication strategy to improve the learning performance of DKRR and demonstrate the power of communications in DKRR via both theoretical assessments and numerical experiments.
metric-learn: Metric Learning Algorithms in Python
Venue: Journal JMLR 2020
Year: 2020

metric-learn is an open source Python package implementing supervised and weakly-supervised distance metric learning algorithms. As part of scikit-learn-contrib, it provides a unified interface compatible with scikit-learn which allows to easily perform cross-validation, model selection, and pipelining with other machine learning estimators. metric-learn is thoroughly tested and available on PyPi under the MIT licence.
GADMM: Fast and Communication Efficient Framework for Distributed Machine Learning
Venue: Journal JMLR 2020
Year: 2020

When the data is distributed across multiple servers, lowering the communication cost between the servers (or workers) while solving the distributed learning problem is an important problem and is the focus of this paper. In particular, we propose a fast, and communication-efficient decentralized framework to solve the distributed machine learning (DML) problem. The proposed algorithm, Group Alternating Direction Method of Multipliers (GADMM) is based on the Alternating Direction Method of Multipliers (ADMM) framework. The key novelty in GADMM is that it solves the problem in a decentralized topology where at most half of the workers are competing for the limited communication resources at any given time. Moreover, each worker exchanges the locally trained model only with two neighboring workers, thereby training a global model with a lower amount of communication overhead in each exchange. We prove that GADMM converges to the optimal solution for convex loss functions, and numerically show that it converges faster and more communication-efficient than the state-of-the-art communication-efficient algorithms such as the Lazily Aggregated Gradient (LAG) and dual averaging, in linear and logistic regression tasks on synthetic and real datasets. Furthermore, we propose Dynamic GADMM (D-GADMM), a variant of GADMM, and prove its convergence under the time-varying network topology of the workers.
Minimal Learning Machine: Theoretical Results and Clustering-Based Reference Point Selection
Venue: Journal JMLR 2020
Year: 2020

The Minimal Learning Machine (MLM) is a nonlinear supervised approach based on learning a linear mapping between distance matrices computed in the input and output data spaces, where distances are calculated using a subset of points called reference points. Its simple formulation has attracted several recent works on extensions and applications. In this paper, we aim to address some open questions related to the MLM. First, we detail theoretical aspects that assure the interpolation and universal approximation capabilities of the MLM, which were previously only empirically verified. Second, we identify the task of selecting reference points as having major importance for the MLM's generalization capability. Several clustering-based methods for reference point selection in regression scenarios are then proposed and analyzed. Based on an extensive empirical evaluation, we conclude that the evaluated methods are both scalable and useful. Specifically, for a small number of reference points, the clustering-based methods outperformed the standard random selection of the original MLM formulation.
Double Reinforcement Learning for Efficient Off-Policy Evaluation in Markov Decision Processes
Venue: Journal JMLR 2020
Year: 2020

Off-policy evaluation (OPE) in reinforcement learning allows one to evaluate novel decision policies without needing to conduct exploration, which is often costly or otherwise infeasible. We consider for the first time the semiparametric efficiency limits of OPE in Markov decision processes (MDPs), where actions, rewards, and states are memoryless. We show existing OPE estimators may fail to be efficient in this setting. We develop a new estimator based on cross-fold estimation of $q$-functions and marginalized density ratios, which we term double reinforcement learning (DRL). We show that DRL is efficient when both components are estimated at fourth-root rates and is also doubly robust when only one component is consistent. We investigate these properties empirically and demonstrate the performance benefits due to harnessing memorylessness.
Rationally Inattentive Inverse Reinforcement Learning Explains YouTube Commenting Behavior
Venue: Journal JMLR 2020
Year: 2020

We consider a novel application of inverse reinforcement learning with behavioral economics constraints to model, learn and predict the commenting behavior of YouTube viewers. Each group of users is modeled as a rationally inattentive Bayesian agent which solves a contextual bandit problem. Our methodology integrates three key components. First, to identify distinct commenting patterns, we use deep embedded clustering to estimate framing information (essential extrinsic features) that clusters users into distinct groups.Second, we present an inverse reinforcement learning algorithm that uses Bayesian revealed preferences to test for rationality: does there exist a utility function that rationalizes the given data, and if yes, can it be used to predict commenting behavior? Finally, we impose behavioral economics constraints stemming from rational inattention to characterize the attention span of groups of users. The test imposes a R{é}nyi mutual information cost constraint which impacts how the agent can select attention strategies to maximize their expected utility. After a careful analysis of a massive YouTube dataset, our surprising result is that in most YouTube user groups, the commenting behavior is consistent with optimizing a Bayesian utility with rationally inattentive constraints. The paper also highlights how the rational inattention model can accurately predict commenting behavior. The massive YouTube dataset and analysis used in this paper are available on GitHub and completely reproducible.
A Sober Look at the Unsupervised Learning of Disentangled Representations and their Evaluation
Venue: Journal JMLR 2020
Year: 2020

The idea behind the \emph{unsupervised} learning of \emph{disentangled} representations is that real-world data is generated by a few explanatory factors of variation which can be recovered by unsupervised learning algorithms. In this paper, we provide a sober look at recent progress in the field and challenge some common assumptions. We first theoretically show that the unsupervised learning of disentangled representations is fundamentally impossible without inductive biases on both the models and the data. Then, we train over $14000$ models covering most prominent methods and evaluation metrics in a reproducible large-scale experimental study on eight data sets. We observe that while the different methods successfully enforce properties "encouraged" by the corresponding losses, well-disentangled models seemingly cannot be identified without supervision. Furthermore, different evaluation metrics do not always agree on what should be considered "disentangled" and exhibit systematic differences in the estimation. Finally, increased disentanglement does not seem to necessarily lead to a decreased sample complexity of learning for downstream tasks. Our results suggest that future work on disentanglement learning should be explicit about the role of inductive biases and (implicit) supervision, investigate concrete benefits of enforcing disentanglement of the learned representations, and consider a reproducible experimental setup covering several data sets.
Krylov Subspace Method for Nonlinear Dynamical Systems with Random Noise
Venue: Journal JMLR 2020
Year: 2020

Operator-theoretic analysis of nonlinear dynamical systems has attracted much attention in a variety of engineering and scientific fields, endowed with practical estimation methods using data such as dynamic mode decomposition. In this paper, we address a lifted representation of nonlinear dynamical systems with random noise based on transfer operators, and develop a novel Krylov subspace method for estimating the operators using finite data, with consideration of the unboundedness of operators. For this purpose, we first consider Perron-Frobenius operators with kernel-mean embeddings for such systems. We then extend the Arnoldi method, which is the most classical type of Kryov subspace method, so that it can be applied to the current case. Meanwhile, the Arnoldi method requires the assumption that the operator is bounded, which is not necessarily satisfied for transfer operators on nonlinear systems. We accordingly develop the shift-invert Arnoldi method for Perron-Frobenius operators to avoid this problem. Also, we describe an approach of evaluating predictive accuracy by estimated operators on the basis of the maximum mean discrepancy, which is applicable, for example, to anomaly detection in complex systems. The empirical performance of our methods is investigated using synthetic and real-world healthcare data.
Best Practices for Scientific Research on Neural Architecture Search
Venue: Journal JMLR 2020
Year: 2020

Finding a well-performing architecture is often tedious for both DL practitioners and researchers, leading to tremendous interest in the automation of this task by means of neural architecture search (NAS). Although the community has made major strides in developing better NAS methods, the quality of scientific empirical evaluations in the young field of NAS is still lacking behind that of other areas of machine learning. To address this issue, we describe a set of possible issues and ways to avoid them, leading to the NAS best practices checklist available at http://automl.org/nas_checklist.pdf.