arXiv subjects

Guido Montúfar

Publications and source records attributed to Guido Montúfar.

54 records · Page 3Linked to original sources

arXiv2022

Solving infinite-horizon POMDPs with memoryless stochastic policies in state-action space

Reward optimization in fully observable Markov decision processes is equivalent to a linear program over the polytope of state-action frequencies. Taking a similar perspective in the case of partially observable Markov decision processes with memoryless stochastic policies, the problem was recently formulated as the optimization of a linear objective subject to polynomial constraints. Based on this we present an approach for Reward Optimization in State-Action space (ROSA). We test this approach experimentally in maze navigation tasks. We find that ROSA is computationally efficient and can yield stability improvements over other existing methods.

cs.LG↗

arXiv2022

The Geometry of Memoryless Stochastic Policy Optimization in Infinite-Horizon POMDPs

We consider the problem of finding the best memoryless stochastic policy for an infinite-horizon partially observable Markov decision process (POMDP) with finite state and action spaces with respect to either the discounted or mean reward criterion. We show that the (discounted) state-action frequencies and the expected cumulative reward are rational functions of the policy, whereby the degree is determined by the degree of partial observability. We then describe the optimization problem as a linear optimization problem in the space of feasible state-action frequencies subject to polynomial constraints that we characterize explicitly. This allows us to address the combinatorial and geometric complexity of the optimization problem using recent tools from polynomial optimization. In particular, we estimate the number of critical points and use the polynomial programming description of reward maximization to solve a navigation problem in a grid world.

math.OC↗

arXiv2022

Weisfeiler and Lehman Go Cellular: CW Networks

Graph Neural Networks (GNNs) are limited in their expressive power, struggle with long-range interactions and lack a principled way to model higher-order structures. These problems can be attributed to the strong coupling between the computational graph and the input graph structure. The recently proposed Message Passing Simplicial Networks naturally decouple these elements by performing message passing on the clique complex of the graph. Nevertheless, these models can be severely constrained by the rigid combinatorial structure of Simplicial Complexes (SCs). In this work, we extend recent theoretical results on SCs to regular Cell Complexes, topological objects that flexibly subsume SCs and graphs. We show that this generalisation provides a powerful set of graph "lifting" transformations, each leading to a unique hierarchical message passing procedure. The resulting methods, which we collectively call CW Networks (CWNs), are strictly more powerful than the WL test and not less powerful than the 3-WL test. In particular, we demonstrate the effectiveness of one such scheme, based on rings, when applied to molecular graph problems. The proposed architecture benefits from provably larger expressivity than commonly used GNNs, principled modelling of higher-order signals and from compressing the distances between nodes. We demonstrate that our model achieves state-of-the-art results on a variety of molecular datasets.

cs.LG↗

arXiv2021

On the Expected Complexity of Maxout Networks

Learning with neural networks relies on the complexity of the representable functions, but more importantly, the particular assignment of typical parameters to functions of different complexity. Taking the number of activation regions as a complexity measure, recent works have shown that the practical complexity of deep ReLU networks is often far from the theoretical maximum. In this work, we show that this phenomenon also occurs in networks with maxout (multi-argument) activation functions and when considering the decision boundaries in classification tasks. We also show that the parameter space has a multitude of full-dimensional regions with widely different complexity, and obtain nontrivial lower bounds on the expected complexity. Finally, we investigate different parameter initialization procedures and show that they can increase the speed of convergence in training.

stat.ML↗

arXiv2021

Learning curves for Gaussian process regression with power-law priors and targets

We characterize the power-law asymptotics of learning curves for Gaussian process regression (GPR) under the assumption that the eigenspectrum of the prior and the eigenexpansion coefficients of the target function follow a power law. Under similar assumptions, we leverage the equivalence between GPR and kernel ridge regression (KRR) to show the generalization error of KRR. Infinitely wide neural networks can be related to GPR with respect to the neural network GP kernel and the neural tangent kernel, which in several cases is known to have a power-law spectrum. Hence our methods can be applied to study the generalization error of infinitely wide neural networks. We present toy experiments demonstrating the theory.

cs.LG↗

arXiv2021

Training Wasserstein GANs without gradient penalties

We propose a stable method to train Wasserstein generative adversarial networks. In order to enhance stability, we consider two objective functions using the $c$-transform based on Kantorovich duality which arises in the theory of optimal transport. We experimentally show that this algorithm can effectively enforce the Lipschitz constraint on the discriminator while other standard methods fail to do so. As a consequence, our method yields an accurate estimation for the optimal discriminator and also for the Wasserstein distance between the true distribution and the generated one. Our method requires no gradient penalties nor corresponding hyperparameter tuning and is computationally more efficient than other methods. At the same time, it yields competitive generators of synthetic images based on the MNIST, F-MNIST, and CIFAR-10 datasets.

cs.LG↗

arXiv2021

Information Complexity and Generalization Bounds

We present a unifying picture of PAC-Bayesian and mutual information-based upper bounds on the generalization error of randomized learning algorithms. As we show, Tong Zhang's information exponential inequality (IEI) gives a general recipe for constructing bounds of both flavors. We show that several important results in the literature can be obtained as simple corollaries of the IEI under different assumptions on the loss function. Moreover, we obtain new bounds for data-dependent priors and unbounded loss functions. Optimizing the bounds gives rise to variants of the Gibbs algorithm, for which we discuss two practical examples for learning with neural networks, namely, Entropy- and PAC-Bayes- SGD. Further, we use an Occam's factor argument to show a PAC-Bayesian bound that incorporates second-order curvature information of the training loss.

cs.LG↗

arXiv2021

Weisfeiler and Lehman Go Topological: Message Passing Simplicial Networks

The pairwise interaction paradigm of graph machine learning has predominantly governed the modelling of relational systems. However, graphs alone cannot capture the multi-level interactions present in many complex systems and the expressive power of such schemes was proven to be limited. To overcome these limitations, we propose Message Passing Simplicial Networks (MPSNs), a class of models that perform message passing on simplicial complexes (SCs). To theoretically analyse the expressivity of our model we introduce a Simplicial Weisfeiler-Lehman (SWL) colouring procedure for distinguishing non-isomorphic SCs. We relate the power of SWL to the problem of distinguishing non-isomorphic graphs and show that SWL and MPSNs are strictly more powerful than the WL test and not less powerful than the 3-WL test. We deepen the analysis by comparing our model with traditional graph neural networks (GNNs) with ReLU activations in terms of the number of linear regions of the functions they can represent. We empirically support our theoretical claims by showing that MPSNs can distinguish challenging strongly regular graphs for which GNNs fail and, when equipped with orientation equivariant layers, they can improve classification accuracy in oriented SCs compared to a GNN baseline.

cs.LG↗

arXiv2020

Can neural networks learn persistent homology features?

Topological data analysis uses tools from topology -- the mathematical area that studies shapes -- to create representations of data. In particular, in persistent homology, one studies one-parameter families of spaces associated with data, and persistence diagrams describe the lifetime of topological invariants, such as connected components or holes, across the one-parameter family. In many applications, one is interested in working with features associated with persistence diagrams rather than the diagrams themselves. In our work, we explore the possibility of learning several types of features extracted from persistence diagrams using neural networks.

cs.LG↗

arXiv2020

The Variational Deficiency Bottleneck

We introduce a bottleneck method for learning data representations based on information deficiency, rather than the more traditional information sufficiency. A variational upper bound allows us to implement this method efficiently. The bound itself is bounded above by the variational information bottleneck objective, and the two methods coincide in the regime of single-shot Monte Carlo approximations. The notion of deficiency provides a principled way of approximating complicated channels by relatively simpler ones. We show that the deficiency of one channel with respect to another has an operational interpretation in terms of the optimal risk gap of decision problems, capturing classification as a special case. Experiments demonstrate that the deficiency bottleneck can provide advantages in terms of minimal sufficiency as measured by information bottleneck curves, while retaining robust test performance in classification tasks.

cs.IT↗

arXiv2020

Wasserstein Distance to Independence Models

An independence model for discrete random variables is a Segre-Veronese variety in a probability simplex. Any metric on the set of joint states of the random variables induces a Wasserstein metric on the probability simplex. The unit ball of this polyhedral norm is dual to the Lipschitz polytope. Given any data distribution, we seek to minimize its Wasserstein distance to a fixed independence model. The solution to this optimization problem is a piecewise algebraic function of the data. We compute this function explicitly in small instances, we examine its combinatorial structure and algebraic degrees in the general case, and we present some experimental case studies.

math.OC↗

arXiv2020

Distributed Learning via Filtered Hyperinterpolation on Manifolds

Learning mappings of data on manifolds is an important topic in contemporary machine learning, with applications in astrophysics, geophysics, statistical physics, medical diagnosis, biochemistry, 3D object analysis. This paper studies the problem of learning real-valued functions on manifolds through filtered hyperinterpolation of input-output data pairs where the inputs may be sampled deterministically or at random and the outputs may be clean or noisy. Motivated by the problem of handling large data sets, it presents a parallel data processing approach which distributes the data-fitting task among multiple servers and synthesizes the fitted sub-models into a global estimator. We prove quantitative relations between the approximation quality of the learned function over the entire manifold, the type of target function, the number of servers, and the number and type of available samples. We obtain the approximation rates of convergence for distributed and non-distributed approaches. For the non-distributed case, the approximation order is optimal.

math.NA↗

arXiv2020

Optimization Theory for ReLU Neural Networks Trained with Normalization Layers

The success of deep neural networks is in part due to the use of normalization layers. Normalization layers like Batch Normalization, Layer Normalization and Weight Normalization are ubiquitous in practice, as they improve generalization performance and speed up training significantly. Nonetheless, the vast majority of current deep learning theory and non-convex optimization literature focuses on the un-normalized setting, where the functions under consideration do not exhibit the properties of commonly normalized neural networks. In this paper, we bridge this gap by giving the first global convergence result for two-layer neural networks with ReLU activations trained with a normalization layer, namely Weight Normalization. Our analysis shows how the introduction of normalization layers changes the optimization landscape and can enable faster convergence as compared with un-normalized neural networks.

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arXiv2019

Stochastic Feedforward Neural Networks: Universal Approximation

In this chapter we take a look at the universal approximation question for stochastic feedforward neural networks. In contrast to deterministic networks, which represent mappings from a set of inputs to a set of outputs, stochastic networks represent mappings from a set of inputs to a set of probability distributions over the set of outputs. In particular, even if the sets of inputs and outputs are finite, the class of stochastic mappings in question is not finite. Moreover, while for a deterministic function the values of all output variables can be computed independently of each other given the values of the inputs, in the stochastic setting the values of the output variables may need to be correlated, which requires that their values are computed jointly. A prominent class of stochastic feedforward networks which has played a key role in the resurgence of deep learning are deep belief networks. The representational power of these networks has been studied mainly in the generative setting, as models of probability distributions without an input, or in the discriminative setting for the special case of deterministic mappings. We study the representational power of deep sigmoid belief networks in terms of compositions of linear transformations of probability distributions, Markov kernels, that can be expressed by the layers of the network. We investigate different types of shallow and deep architectures, and the minimal number of layers and units per layer that are sufficient and necessary in order for the network to be able to approximate any given stochastic mapping from the set of inputs to the set of outputs arbitrarily well.

cs.LG↗

arXiv2019

How Well Do WGANs Estimate the Wasserstein Metric?

Generative modelling is often cast as minimizing a similarity measure between a data distribution and a model distribution. Recently, a popular choice for the similarity measure has been the Wasserstein metric, which can be expressed in the Kantorovich duality formulation as the optimum difference of the expected values of a potential function under the real data distribution and the model hypothesis. In practice, the potential is approximated with a neural network and is called the discriminator. Duality constraints on the function class of the discriminator are enforced approximately, and the expectations are estimated from samples. This gives at least three sources of errors: the approximated discriminator and constraints, the estimation of the expectation value, and the optimization required to find the optimal potential. In this work, we study how well the methods, that are used in generative adversarial networks to approximate the Wasserstein metric, perform. We consider, in particular, the $c$-transform formulation, which eliminates the need to enforce the constraints explicitly. We demonstrate that the $c$-transform allows for a more accurate estimation of the true Wasserstein metric from samples, but surprisingly, does not perform the best in the generative setting.

cs.LG↗

arXiv2019

Factorized Mutual Information Maximization

We investigate the sets of joint probability distributions that maximize the average multi-information over a collection of margins. These functionals serve as proxies for maximizing the multi-information of a set of variables or the mutual information of two subsets of variables, at a lower computation and estimation complexity. We describe the maximizers and their relations to the maximizers of the multi-information and the mutual information.

cs.IT↗

arXiv2018

Computing the Unique Information

Given a pair of predictor variables and a response variable, how much information do the predictors have about the response, and how is this information distributed between unique, redundant, and synergistic components? Recent work has proposed to quantify the unique component of the decomposition as the minimum value of the conditional mutual information over a constrained set of information channels. We present an efficient iterative divergence minimization algorithm to solve this optimization problem with convergence guarantees and evaluate its performance against other techniques.

cs.IT↗

arXiv2014

On the Number of Linear Regions of Deep Neural Networks

We study the complexity of functions computable by deep feedforward neural networks with piecewise linear activations in terms of the symmetries and the number of linear regions that they have. Deep networks are able to sequentially map portions of each layer's input-space to the same output. In this way, deep models compute functions that react equally to complicated patterns of different inputs. The compositional structure of these functions enables them to re-use pieces of computation exponentially often in terms of the network's depth. This paper investigates the complexity of such compositional maps and contributes new theoretical results regarding the advantage of depth for neural networks with piecewise linear activation functions. In particular, our analysis is not specific to a single family of models, and as an example, we employ it for rectifier and maxout networks. We improve complexity bounds from pre-existing work and investigate the behavior of units in higher layers.

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