We present a strikingly simple proof that two rules are sufficient to automate gradient descent: 1) don't increase the stepsize too fast and 2) don't overstep the local curvature. No need for functional values, no line search, no information about the function except for the gradients. By following these rules, you get a method adaptive to the local geometry, with convergence guarantees depending only on smoothness in a neighborhood of a solution. Given that the problem is convex, our method will converge even if the global smoothness constant is infinity. As an illustration, it can minimize arbitrary continuously twice-differentiable convex function. We examine its performance on a range of convex and nonconvex problems, including logistic regression and matrix factorization.

Most algorithms for solving optimization problems or finding saddle points of convex-concave functions are fixed-point algorithms. In this work we consider the generic problem of finding a fixed point of an average of operators, or an approximation thereof, in a distributed setting. Our work is motivated by the needs of federated learning. In this context, each local operator models the computations done locally on a mobile device. We investigate two strategies to achieve such a consensus: one based on a fixed number of local steps, and the other based on randomized computations. In both cases, the goal is to limit communication of the locally-computed variables, which is often the bottleneck in distributed frameworks. We perform convergence analysis of both methods and conduct a number of experiments highlighting the benefits of our approach.

Archetypal analysis (AA) aims to extract patterns using self-expressive decomposition of data as convex combinations of extremal points (on the convex hull) of the data. This work presents a computationally efficient greedy AA (GAA) algorithm. GAA leverages the underlying geometry of AA, is scalable to larger datasets, and has significantly faster convergence rate. To achieve this, archetypes are learned via sparse projection of data. In the transformed space, GAA employs an iterative subset selection approach to identify archetypes based on the sparsity of convex representations. The work further presents the use of GAA algorithm for extended AA models such as robust and kernel AA. Experimental results show that GAA is considerably faster while performing comparable to existing methods for tasks such as classification, data visualization/categorization.

Deep neural networks can achieve remarkable generalization performances while interpolating the training data. Rather than the U-curve emblematic of the bias-variance trade-off, their test error often follows a ``double descent"---a mark of the beneficial role of overparametrization. In this work, we develop a quantitative theory for this phenomenon in the so-called lazy learning regime of neural networks, by considering the problem of learning a high-dimensional function with random features regression. We obtain a precise asymptotic expression for the bias-variance decomposition of the test error, and show that the bias displays a phase transition at the interpolation threshold, beyond it which it remains constant. We disentangle the variances stemming from the sampling of the dataset, from the additive noise corrupting the labels, and from the initialization of the weights. We demonstrate that the latter two contributions are the crux of the double descent: they lead to the overfitting peak at the interpolation threshold and to the decay of the test error upon overparametrization. We quantify how they are suppressed by ensembling the outputs of $K$ independently initialized estimators. For $K\rightarrow \infty$, the test error is monotonously decreasing and remains constant beyond the interpolation threshold. We further compare the effects of overparametrizing, ensembling and regularizing. Finally, we present numerical experiments on classic deep learning setups to show that our results hold qualitatively in realistic lazy learning scenarios.

Explanation methods promise to make black-box classifiers more transparent. As a result, it is hoped that they can act as proof for a sensible, fair and trustworthy decision-making process of the algorithm and thereby increase its acceptance by the end-users. In this paper, we show both theoretically and experimentally that these hopes are presently unfounded. Specifically, we show that, for any classifier $g$, one can always construct another classifier $\tilde{g}$ which has the same behavior on the data (same train, validation, and test error) but has arbitrarily manipulated explanation maps. We derive this statement theoretically using differential geometry and demonstrate it experimentally for various explanation methods, architectures, and datasets. Motivated by our theoretical insights, we then propose a modification of existing explanation methods which makes them significantly more robust.

We investigate an active \emph{pure-exploration} setting, that includes \emph{best-arm identification}, in the context of \emph{linear stochastic bandits}. While asymptotically optimal algorithms exist for standard \emph{multi-armed bandits}, the existence of such algorithms for the best-arm identification in linear bandits has been elusive despite several attempts to address it. First, we provide a thorough comparison and new insight over different notions of optimality in the linear case, including G-optimality, transductive optimality from optimal experimental design and asymptotic optimality. Second, we design the first asymptotically optimal algorithm for fixed-confidence pure exploration in linear bandits. As a consequence, our algorithm naturally bypasses the pitfall caused by a simple but difficult instance, that most prior algorithms had to be engineered to deal with explicitly. Finally, we avoid the need to fully solve an optimal design problem by providing an approach that entails an efficient implementation.

Deep generative models rely on their inductive bias to facilitate generalization, especially for problems with high dimensional data, like images. However, empirical studies have shown that variational autoencoders (VAE) and generative adversarial networks (GAN) lack the generalization ability that occurs naturally in human perception. For example, humans can visualize a woman smiling after only seeing a smiling man. On the contrary, the standard conditional VAE (cVAE) is unable to generate unseen attribute combinations. To this end, we extend cVAE by introducing a multilinear latent conditioning framework that captures the multiplicative interactions between the attributes. We implement two variants of our model and demonstrate their efficacy on MNIST, Fashion-MNIST and CelebA. Altogether, we design a novel conditioning framework that can be used with any architecture to synthesize unseen attribute combinations.

The ability to jointly understand the geometry of objects and plan actions for manipulating them is crucial for intelligent agents. We refer to this ability as geometric planning. Recently, many interactive environments have been proposed to evaluate intelligent agents on various skills, however, none of them cater to the needs of geometric planning. We present PackIt, a virtual environment to evaluate and potentially learn the ability to do geometric planning, where an agent needs to take a sequence of actions to pack a set of objects into a box with limited space. We also construct a set of challenging packing tasks using an evolutionary algorithm. Further, we study various baselines for the task that include model-free learning-based and heuristic-based methods, as well as search-based optimization methods that assume access to the model of the environment.

Polygon meshes are an efficient representation of 3D geometry, and are of central importance in computer graphics, robotics and games development. Existing learning-based approaches for object synthesis have avoided the challenges of working with 3D meshes, instead using alternative object representations that are more compatible with neural architectures and training approaches. We present PolyGen, a generative model of 3D objects which models the mesh directly, predicting vertices and faces sequentially using a Transformer-based architecture. Our model can condition on a range of inputs, including object classes, voxels, and images, and because the model is probabilistic it can produce samples that capture uncertainty in ambiguous scenarios. We show that the model is capable of producing high-quality, usable meshes, and establish log-likelihood benchmarks for the mesh-modelling task. We also evaluate the conditional models on surface reconstruction metrics against alternative methods, and demonstrate competitive performance despite not training directly on this task.

In this paper, we focus on a theory-practice gap for Adam and its variants (AMSGrad, AdamNC, etc.). In practice, these algorithms are used with a constant first-order moment parameter $\beta_{1}$ (typically between $0.9$ and $0.99$). In theory, regret guarantees for online convex optimization require a rapidly decaying $\beta_{1}\to0$ schedule. We show that this is an artifact of the standard analysis, and we propose a novel framework that allows us to derive optimal, data-dependent regret bounds with a constant $\beta_{1}$, without further assumptions. We also demonstrate the flexibility of our analysis on a wide range of different algorithms and settings.

We study optimal covariate balance for causal inferences from observational data when rich covariates and complex relationships necessitate flexible modeling with neural networks. Standard approaches such as propensity weighting and matching/balancing fail in such settings due to miscalibrated propensity nets and inappropriate covariate representations, respectively. We propose a new method based on adversarial training of a weighting and a discriminator network that effectively addresses this methodological gap. This is demonstrated through new theoretical characterizations and empirical results on both synthetic and clinical data showing how causal analyses can be salvaged in such challenging settings.

We present a sparse representation of model uncertainty for Deep Neural Networks (DNNs) where the parameter posterior is approximated with an inverse formulation of the Multivariate Normal Distribution (MND), also known as the information form. The key insight of our work is that the information matrix, i.e. the inverse of the covariance matrix tends to be sparse in its spectrum. Therefore, dimensionality reduction techniques such as low rank approximations (LRA) can be effectively exploited. To achieve this, we develop a novel sparsification algorithm and derive a cost-effective analytical sampler. As a result, we show that the information form can be scalably applied to represent model uncertainty in DNNs. Our exhaustive theoretical analysis and empirical evaluations on various benchmarks show the competitiveness of our approach over the current methods.

Linear networks provide valuable insights into the workings of neural networks in general. This paper identifies conditions under which the gradient flow provably trains a linear network, in spite of the non-strict saddle points present in the optimization landscape. This paper also provides the computational complexity of training linear networks with gradient flow. To achieve these results, this work develops a machinery to provably identify the stable set of gradient flow, which then enables us to improve over the state of the art in the literature of linear networks (Bah et al., 2019;Arora et al., 2018a). Crucially, our results appear to be the first to break away from the lazy training regime which has dominated the literature of neural networks. This work requires the network to have a layer with one neuron, which subsumes the networks with a scalar output, but extending the results of this theoretical work to all linear networks remains a challenging open problem.

The Frank-Wolfe algorithm has become a popular first-order optimization algorithm for it is simple and projection-free, and it has been successfully applied to a variety of real-world problems. Its main drawback however lies in its convergence rate, which can be excessively slow due to naive descent directions. We propose to speed up the Frank-Wolfe algorithm by better aligning the descent direction with that of the negative gradient via a subroutine. This subroutine chases the negative gradient direction in a matching pursuit-style while still preserving the projection-free property. Although the approach is reasonably natural, it produces very significant results. We derive convergence rates $\mathcal{O}(1/t)$ to $\mathcal{O}(e^{-\omega t})$ of our method and we demonstrate its competitive advantage both per iteration and in CPU time over the state-of-the-art in a series of computational experiments.

Although group convolutional networks are able to learn powerful representations based on symmetry patterns, they lack explicit means to learn meaningful relationships among them (e.g., relative positions and poses). In this paper, we present attentive group equivariant convolutions, a generalization of the group convolution, in which attention is applied during the course of convolution to accentuate meaningful symmetry combinations and suppress non-plausible, misleading ones. We indicate that prior work on visual attention can be described as special cases of our proposed framework and show empirically that our attentive group equivariant convolutional networks consistently outperform conventional group convolutional networks on benchmark image datasets. Simultaneously, we provide interpretability to the learned concepts through the visualization of equivariant attention maps.

Randomized Newton methods have recently become the focus of intense research activity in large-scale and distributed optimization. In general, these methods are based on a computation-accuracy trade-off'', which allows the user to gain scalability in exchange for error in the solution. However, the user does not know how much error is created by the randomized approximation, which can be detrimental in two ways: On one hand, the user may try to assess the unknown error with theoretical worst-case error bounds, but this approach is impractical when the bounds involve unknown constants, and it often leads to excessive computation. On the other hand, the user may select thesketch size'' and stopping criteria in a heuristic manner, but this can lead to unreliable results. Motivated by these difficulties, we show how bootstrapping can be used to directly estimate the unknown error, which prevents excessive computation, and offers more confidence about the quality of a randomized solution. Furthermore, we show that the error estimation adds little computational cost to existing randomized Newton methods (e.g. \textsc{newton sketch} and \textsc{giant}), and it performs well empirically.

When quantizing neural networks, assigning each floating-point weight to its nearest fixed-point value is the predominant approach. We find that, perhaps surprisingly, this is not the best we can do. In this paper, we propose AdaRound, a better weight-rounding mechanism for post-training quantization that adapts to the data and the task loss. AdaRound is fast, does not require fine-tuning of the network, and only uses a small amount of unlabelled data. We start by theoretically analyzing the rounding problem for a pre-trained neural network. By approximating the task loss with a Taylor series expansion, the rounding task is posed as a quadratic unconstrained binary optimization problem. We simplify this to a layer-wise local loss and propose to optimize this loss with a soft relaxation. AdaRound not only outperforms rounding-to-nearest by a significant margin but also establishes a new state-of-the-art for post-training quantization on several networks and tasks. Without fine-tuning, we can quantize the weights of Resnet18 and Resnet50 to 4 bits while staying within an accuracy loss of 1%.