OpenRaiser/Intern-Atlas huggingface dataset:
On ADMM in Deep Learning: Convergence and Saturation-Avoidance
Venue: Journal JMLR 2021
Year: 2021

In this paper, we develop an alternating direction method of multipliers (ADMM) for deep neural networks training with sigmoid-type activation functions (called \textit{sigmoid-ADMM pair}), mainly motivated by the gradient-free nature of ADMM in avoiding the saturation of sigmoid-type activations and the advantages of deep neural networks with sigmoid-type activations (called deep sigmoid nets) over their rectified linear unit (ReLU) counterparts (called deep ReLU nets) in terms of approximation. In particular, we prove that the approximation capability of deep sigmoid nets is not worse than that of deep ReLU nets by showing that ReLU activation function can be well approximated by deep sigmoid nets with two hidden layers and finitely many free parameters but not vice-verse. We also establish the global convergence of the proposed ADMM for the nonlinearly constrained formulation of the deep sigmoid nets training from arbitrary initial points to a Karush-Kuhn-Tucker (KKT) point at a rate of order ${\cal O}(1/k)$. Besides sigmoid activation, such a convergence theorem holds for a general class of smooth activations. Compared with the widely used stochastic gradient descent (SGD) algorithm for the deep ReLU nets training (called ReLU-SGD pair), the proposed sigmoid-ADMM pair is practically stable with respect to the algorithmic hyperparameters including the learning rate, initial schemes and the pro-processing of the input data. Moreover, we find that to approximate and learn simple but important functions the proposed sigmoid-ADMM pair numerically outperforms the ReLU-SGD pair.
Tractable Approximate Gaussian Inference for Bayesian Neural Networks
Venue: Journal JMLR 2021
Year: 2021

In this paper, we propose an analytical method for performing tractable approximate Gaussian inference (TAGI) in Bayesian neural networks. The method enables the analytical Gaussian inference of the posterior mean vector and diagonal covariance matrix for weights and biases. The method proposed has a computational complexity of $\mathcal{O}(n)$ with respect to the number of parameters $n$, and the tests performed on regression and classification benchmarks confirm that, for a same network architecture, it matches the performance of existing methods relying on gradient backpropagation.
Refined approachability algorithms and application to regret minimization with global costs
Venue: Journal JMLR 2021
Year: 2021

Blackwell's approachability is a framework where two players, the Decision Maker and the Environment, play a repeated game with vector-valued payoffs. The goal of the Decision Maker is to make the average payoff converge to a given set called the target. When this is indeed possible, simple algorithms which guarantee the convergence are known. This abstract tool was successfully used for the construction of optimal strategies in various repeated games, but also found several applications in online learning. By extending an approach proposed by (Abernethy et al., 2011), we construct and analyze a class of Follow the Regularized Leader algorithms (FTRL) for Blackwell's approachability which are able to minimize not only the Euclidean distance to the target set (as it is often the case in the context of Blackwell's approachability) but a wide range of distance-like quantities. This flexibility enables us to apply these algorithms to closely minimize the quantity of interest in various online learning problems. In particular, for regret minimization with $\ell_p$ global costs, we obtain the first bounds with explicit dependence in $p$ and the dimension $d$.
Bifurcation Spiking Neural Network
Venue: Journal JMLR 2021
Year: 2021

Spiking neural networks (SNNs) has attracted much attention due to its great potential of modeling time-dependent signals. The firing rate of spiking neurons is decided by control rate which is fixed manually in advance, and thus, whether the firing rate is adequate for modeling actual time series relies on fortune. Though it is demanded to have an adaptive control rate, it is a non-trivial task because the control rate and the connection weights learned during the training process are usually entangled. In this paper, we show that the firing rate is related to the eigenvalue of the spike generation function. Inspired by this insight, by enabling the spike generation function to have adaptable eigenvalues rather than parametric control rates, we develop the Bifurcation Spiking Neural Network (BSNN), which has an adaptive firing rate and is insensitive to the setting of control rates. Experiments validate the effectiveness of BSNN on a broad range of tasks, showing that BSNN achieves superior performance to existing SNNs and is robust to the setting of control rates.
Understanding How Dimension Reduction Tools Work: An Empirical Approach to Deciphering t-SNE, UMAP, TriMap, and PaCMAP for Data Visualization
Venue: Journal JMLR 2021
Year: 2021

Dimension reduction (DR) techniques such as t-SNE, UMAP, and TriMAP have demonstrated impressive visualization performance on many real world datasets. One tension that has always faced these methods is the trade-off between preservation of global structure and preservation of local structure: these methods can either handle one or the other, but not both. In this work, our main goal is to understand what aspects of DR methods are important for preserving both local and global structure: it is difficult to design a better method without a true understanding of the choices we make in our algorithms and their empirical impact on the lower-dimensional embeddings they produce. Towards the goal of local structure preservation, we provide several useful design principles for DR loss functions based on our new understanding of the mechanisms behind successful DR methods. Towards the goal of global structure preservation, our analysis illuminates that the choice of which components to preserve is important. We leverage these insights to design a new algorithm for DR, called Pairwise Controlled Manifold Approximation Projection (PaCMAP), which preserves both local and global structure. Our work provides several unexpected insights into what design choices both to make and avoid when constructing DR algorithms.
Accelerating Ill-Conditioned Low-Rank Matrix Estimation via Scaled Gradient Descent
Venue: Journal JMLR 2021
Year: 2021

Low-rank matrix estimation is a canonical problem that finds numerous applications in signal processing, machine learning and imaging science. A popular approach in practice is to factorize the matrix into two compact low-rank factors, and then optimize these factors directly via simple iterative methods such as gradient descent and alternating minimization. Despite nonconvexity, recent literatures have shown that these simple heuristics in fact achieve linear convergence when initialized properly for a growing number of problems of interest. However, upon closer examination, existing approaches can still be computationally expensive especially for ill-conditioned matrices: the convergence rate of gradient descent depends linearly on the condition number of the low-rank matrix, while the per-iteration cost of alternating minimization is often prohibitive for large matrices. The goal of this paper is to set forth a competitive algorithmic approach dubbed Scaled Gradient Descent (ScaledGD) which can be viewed as pre-conditioned or diagonally-scaled gradient descent, where the pre-conditioners are adaptive and iteration-varying with a minimal computational overhead. With tailored variants for low-rank matrix sensing, robust principal component analysis and matrix completion, we theoretically show that ScaledGD achieves the best of both worlds: it converges linearly at a rate independent of the condition number of the low-rank matrix similar as alternating minimization, while maintaining the low per-iteration cost of gradient descent. Our analysis is also applicable to general loss functions that are restricted strongly convex and smooth over low-rank matrices. To the best of our knowledge, ScaledGD is the first algorithm that provably has such properties over a wide range of low-rank matrix estimation tasks.
Universal consistency and rates of convergence of multiclass prototype algorithms in metric spaces
Venue: Journal JMLR 2021
Year: 2021

We study universal consistency and convergence rates of simple nearest-neighbor prototype rules for the problem of multiclass classification in metric paces. We first show that a novel data-dependent partitioning rule, named Proto-NN, is universally consistent in any metric space that admits a universally consistent rule. Proto-NN is a significant simplification of OptiNet, a recently proposed compression-based algorithm that, to date, was the only algorithm known to be universally consistent in such a general setting. Practically, Proto-NN is simpler to implement and enjoys reduced computational complexity. We then proceed to study convergence rates of the excess error probability. We first obtain rates for the standard $k$-NN rule under a margin condition and a new generalized-Lipschitz condition. The latter is an extension of a recently proposed modified-Lipschitz condition from $\mathbb R^d$ to metric spaces. Similarly to the modified-Lipschitz condition, the new condition avoids any boundness assumptions on the data distribution. While obtaining rates for Proto-NN is left open, we show that a second prototype rule that hybridizes between $k$-NN and Proto-NN achieves the same rates as $k$-NN while enjoying similar computational advantages as Proto-NN. However, as $k$-NN, this hybrid rule is not consistent in general.
Optimized Score Transformation for Consistent Fair Classification
Venue: Journal JMLR 2021
Year: 2021

This paper considers fair probabilistic binary classification where the outputs of primary interest are predicted probabilities, commonly referred to as scores. We formulate the problem of transforming scores to satisfy fairness constraints that are linear in conditional means of scores while minimizing a cross-entropy objective. The formulation can be applied directly to post-process classifier outputs and we also explore a pre-processing extension, thus allowing maximum freedom in selecting a classification algorithm. We derive a closed-form expression for the optimal transformed scores and a convex optimization problem for the transformation parameters. In the population limit, the transformed score function is the fairness-constrained minimizer of cross-entropy with respect to the true conditional probability of the outcome. In the finite sample setting, we propose a method called FairScoreTransformer to approach this solution using a combination of standard probabilistic classifiers and ADMM. We provide several consistency and finite-sample guarantees for FairScoreTransformer, relating to the transformation parameters and transformed score function that it obtains. Comprehensive experiments comparing to 10 existing methods show that FairScoreTransformer has advantages for score-based metrics such as Brier score and AUC while remaining competitive for binary label-based metrics such as accuracy.
ROOTS: Object-Centric Representation and Rendering of 3D Scenes
Venue: Journal JMLR 2021
Year: 2021

A crucial ability of human intelligence is to build up models of individual 3D objects from partial scene observations. Recent works achieve object-centric generation but without the ability to infer the representation, or achieve 3D scene representation learning but without object-centric compositionality. Therefore, learning to represent and render 3D scenes with object-centric compositionality remains elusive. In this paper, we propose a probabilistic generative model for learning to build modular and compositional 3D object models from partial observations of a multi-object scene. The proposed model can (i) infer the 3D object representations by learning to search and group object areas and also (ii) render from an arbitrary viewpoint not only individual objects but also the full scene by compositing the objects. The entire learning process is unsupervised and end-to-end. In experiments, in addition to generation quality, we also demonstrate that the learned representation permits object-wise manipulation and novel scene generation, and generalizes to various settings. Results can be found on our project website: https://sites.google.com/view/roots3d
Learning Strategies in Decentralized Matching Markets under Uncertain Preferences
Venue: Journal JMLR 2021
Year: 2021

We study the problem of decision-making in the setting of a scarcity of shared resources when the preferences of agents are unknown a priori and must be learned from data. Taking the two-sided matching market as a running example, we focus on the decentralized setting, where agents do not share their learned preferences with a central authority. Our approach is based on the representation of preferences in a reproducing kernel Hilbert space, and a learning algorithm for preferences that accounts for uncertainty due to the competition among the agents in the market. Under regularity conditions, we show that our estimator of preferences converges at a minimax optimal rate. Given this result, we derive optimal strategies that maximize agents' expected payoffs and we calibrate the uncertain state by taking opportunity costs into account. We also derive an incentive-compatibility property and show that the outcome from the learned strategies has a stability property. Finally, we prove a fairness property that asserts that there exists no justified envy according to the learned strategies.
A Greedy Algorithm for Quantizing Neural Networks
Venue: Journal JMLR 2021
Year: 2021

We propose a new computationally efficient method for quantizing the weights of pre- trained neural networks that is general enough to handle both multi-layer perceptrons and convolutional neural networks. Our method deterministically quantizes layers in an iterative fashion with no complicated re-training required. Specifically, we quantize each neuron, or hidden unit, using a greedy path-following algorithm. This simple algorithm is equivalent to running a dynamical system, which we prove is stable for quantizing a single-layer neural network (or, alternatively, for quantizing the first layer of a multi-layer network) when the training data are Gaussian. We show that under these assumptions, the quantization error decays with the width of the layer, i.e., its level of over-parametrization. We provide numerical experiments, on multi-layer networks, to illustrate the performance of our methods on MNIST and CIFAR10 data, as well as for quantizing the VGG16 network using ImageNet data.
Prediction against a limited adversary
Venue: Journal JMLR 2021
Year: 2021

We study the problem of prediction with expert advice with adversarial corruption where the adversary can at most corrupt one expert. Using tools from viscosity theory, we characterize the long-time behavior of the value function of the game between the forecaster and the adversary. We provide lower and upper bounds for the growth rate of regret without relying on a comparison result. We show that depending on the description of regret, the limiting behavior of the game can significantly differ.
Bandit Learning in Decentralized Matching Markets
Venue: Journal JMLR 2021
Year: 2021

We study two-sided matching markets in which one side of the market (the players) does not have a priori knowledge about its preferences for the other side (the arms) and is required to learn its preferences from experience. Also, we assume the players have no direct means of communication. This model extends the standard stochastic multi-armed bandit framework to a decentralized multiple player setting with competition. We introduce a new algorithm for this setting that, over a time horizon $T$, attains $\mathcal{O}(\log(T))$ stable regret when preferences of the arms over players are shared, and $\mathcal{O}(\log(T)^2)$ regret when there are no assumptions on the preferences on either side. Moreover, in the setting where a single player may deviate, we show that the algorithm is incentive compatible whenever the arms' preferences are shared, but not necessarily so when preferences are fully general.
MetaGrad: Adaptation using Multiple Learning Rates in Online Learning
Venue: Journal JMLR 2021
Year: 2021

We provide a new adaptive method for online convex optimization, MetaGrad, that is robust to general convex losses but achieves faster rates for a broad class of special functions, including exp-concave and strongly convex functions, but also various types of stochastic and non-stochastic functions without any curvature. We prove this by drawing a connection to the Bernstein condition, which is known to imply fast rates in offline statistical learning. MetaGrad further adapts automatically to the size of the gradients. Its main feature is that it simultaneously considers multiple learning rates, which are weighted directly proportional to their empirical performance on the data using a new meta-algorithm. We provide three versions of MetaGrad. The full matrix version maintains a full covariance matrix and is applicable to learning tasks for which we can afford update time quadratic in the dimension. The other two versions provide speed-ups for high-dimensional learning tasks with an update time that is linear in the dimension: one is based on sketching, the other on running a separate copy of the basic algorithm per coordinate. We evaluate all versions of MetaGrad on benchmark online classification and regression tasks, on which they consistently outperform both online gradient descent and AdaGrad.
Convex Geometry and Duality of Over-parameterized Neural Networks
Venue: Journal JMLR 2021
Year: 2021

We develop a convex analytic approach to analyze finite width two-layer ReLU networks. We first prove that an optimal solution to the regularized training problem can be characterized as extreme points of a convex set, where simple solutions are encouraged via its convex geometrical properties. We then leverage this characterization to show that an optimal set of parameters yield linear spline interpolation for regression problems involving one dimensional or rank-one data. We also characterize the classification decision regions in terms of a kernel matrix and minimum $\ell_1$-norm solutions. This is in contrast to Neural Tangent Kernel which is unable to explain predictions of finite width networks. Our convex geometric characterization also provides intuitive explanations of hidden neurons as auto-encoders. In higher dimensions, we show that the training problem can be cast as a finite dimensional convex problem with infinitely many constraints. Then, we apply certain convex relaxations and introduce a cutting-plane algorithm to globally optimize the network. We further analyze the exactness of the relaxations to provide conditions for the convergence to a global optimum. Our analysis also shows that optimal network parameters can be also characterized as interpretable closed-form formulas in some practically relevant special cases.
dalex: Responsible Machine Learning with Interactive Explainability and Fairness in Python
Venue: Journal JMLR 2021
Year: 2021

The increasing amount of available data, computing power, and the constant pursuit for higher performance results in the growing complexity of predictive models. Their black-box nature leads to opaqueness debt phenomenon inflicting increased risks of discrimination, lack of reproducibility, and deflated performance due to data drift. To manage these risks, good MLOps practices ask for better validation of model performance and fairness, higher explainability, and continuous monitoring. The necessity of deeper model transparency appears not only from scientific and social domains, but also emerging laws and regulations on artificial intelligence. To facilitate the development of responsible machine learning models, we showcase dalex, a Python package which implements the model-agnostic interface for interactive model exploration. It adopts the design crafted through the development of various tools for responsible machine learning; thus, it aims at the unification of the existing solutions. This library's source code and documentation are available under open license at https://python.drwhy.ai/.
Transferability of Spectral Graph Convolutional Neural Networks
Venue: Journal JMLR 2021
Year: 2021

This paper focuses on spectral graph convolutional neural networks (ConvNets), where filters are defined as elementwise multiplication in the frequency domain of a graph. In machine learning settings where the dataset consists of signals defined on many different graphs, the trained ConvNet should generalize to signals on graphs unseen in the training set. It is thus important to transfer ConvNets between graphs. Transferability, which is a certain type of generalization capability, can be loosely defined as follows: if two graphs describe the same phenomenon, then a single filter or ConvNet should have similar repercussions on both graphs. This paper aims at debunking the common misconception that spectral filters are not transferable. We show that if two graphs discretize the same "continuous" space, then a spectral filter or ConvNet has approximately the same repercussion on both graphs. Our analysis is more permissive than the standard analysis. Transferability is typically described as the robustness of the filter to small graph perturbations and re-indexing of the vertices. Our analysis accounts also for large graph perturbations. We prove transferability between graphs that can have completely different dimensions and topologies, only requiring that both graphs discretize the same underlying space in some generic sense.
NUQSGD: Provably Communication-efficient Data-parallel SGD via Nonuniform Quantization
Venue: Journal JMLR 2021
Year: 2021

As the size and complexity of models and datasets grow, so does the need for communication-efficient variants of stochastic gradient descent that can be deployed to perform parallel model training. One popular communication-compression method for data-parallel SGD is QSGD (Alistarh et al., 2017), which quantizes and encodes gradients to reduce communication costs. The baseline variant of QSGD provides strong theoretical guarantees, however, for practical purposes, the authors proposed a heuristic variant which we call QSGDinf, which demonstrated impressive empirical gains for distributed training of large neural networks. In this paper, we build on this work to propose a new gradient quantization scheme, and show that it has both stronger theoretical guarantees than QSGD, and matches and exceeds the empirical performance of the QSGDinf heuristic and of other compression methods.
Kernel Operations on the GPU, with Autodiff, without Memory Overflows
Venue: Journal JMLR 2021
Year: 2021

The KeOps library provides a fast and memory-efficient GPU support for tensors whose entries are given by a mathematical formula, such as kernel and distance matrices. KeOps alleviates the major bottleneck of tensor-centric libraries for kernel and geometric applications: memory consumption. It also supports automatic differentiation and outperforms standard GPU baselines, including PyTorch CUDA tensors or the Halide and TVM libraries. KeOps combines optimized C++/CUDA schemes with binders for high-level languages: Python (Numpy and PyTorch), Matlab and GNU R. As a result, high-level "quadratic" codes can now scale up to large data sets with millions of samples processed in seconds. KeOps brings graphics-like performances for kernel methods and is freely available on standard repositories (PyPi, CRAN). To showcase its versatility, we provide tutorials in a wide range of settings online at \url{www.kernel-operations.io}.