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Graph Convolutional Networks (GCNs) are one of the most popular architectures that are used to solve classification problems accompanied by graphical information. We present a rigorous theoretical understanding of the effects of graph convolutions in multi-layer networks. We study these effects through the node classification problem of a non-linearly separable Gaussian mixture model coupled with a stochastic block model. First, we show that a single graph convolution expands the regime of the distance between the means where multi-layer networks can classify the data by a factor of at least $1/\sqrt[4]{\mathbb{E}{\rm deg}}$, where $\mathbb{E}{\rm deg}$ denotes the expected degree of a node. Second, we show that with a slightly stronger graph density, two graph convolutions improve this factor to at least $1/\sqrt[4]{n}$, where $n$ is the number of nodes in the graph. Finally, we provide both theoretical and empirical insights into the performance of graph convolutions placed in different combinations among the layers of a network, concluding that the performance is mutually similar for all combinations of the placement. We present extensive experiments on both synthetic and real-world data that illustrate our results.

In selfish bin packing, each item is regarded as a player, who aims to minimize the cost-share by choosing a bin it can fit in. To have a least number of bins used, cost-sharing rules play an important role. The currently best known cost sharing rule has a lower bound on $PoA$ larger than 1.45, while a general lower bound 4/3 on $PoA$ applies to any cost-sharing rule under which no items have incentive unilaterally moving to an empty bin. In this paper, we propose a novel and simple rule with a $PoA$ matching the lower bound, thus completely resolving this game. The new rule always admits a Nash equilibrium and its $PoS$ is one. Furthermore, the well-known bin packing algorithm $BFD$ (Best-Fit Decreasing) is shown to achieve a strong equilibrium, implying that a stable packing with an asymptotic approximation ratio of $11/9$ can be produced in polynomial time.

We present a sheaf-theoretic construction of shape space -- the space of all shapes. We do this by describing a homotopy sheaf on the poset category of constructible sets, where each set is mapped to its Persistent Homology Transform (PHT). Recent results that build on fundamental work of Schapira have shown that this transform is injective, thus making the PHT a good summary object for each shape. Our homotopy sheaf result allows us to "glue" PHTs of different shapes together to build up the PHT of a larger shape. In the case where our shape is a polyhedron we prove a generalized nerve lemma for the PHT. Finally, by re-examining the sampling result of Smale-Niyogi-Weinberger, we show that we can reliably approximate the PHT of a manifold by a polyhedron up to arbitrary precision.

Stable matchings have been studied extensively in social choice literature. The focus has been mostly on integral matchings, in which the nodes on the two sides are wholly matched. A fractional matching, which is a convex combination of integral matchings, is a natural extension of integral matchings. The topic of stability of fractional matchings has started receiving attention only very recently. Further, incentive compatibility in the context of fractional matchings has received very little attention. With this as the backdrop, our paper studies the important topic of incentive compatibility of mechanisms to find stable fractional matchings. We work with preferences expressed in the form of cardinal utilities. Our first result is an impossibility result that there are matching instances for which no mechanism that produces a stable fractional matching can be incentive compatible or even approximately incentive compatible. This provides the motivation to seek special classes of matching instances for which there exist incentive compatible mechanisms that produce stable fractional matchings. Our study leads to a class of matching instances that admit unique stable fractional matchings. We first show that a unique stable fractional matching for a matching instance exists if and only if the given matching instance satisfies the conditional mutual first preference (CMFP) property. To this end, we provide a polynomial-time algorithm that makes ingenious use of envy-graphs to find a non-integral stable matching whenever the preferences are strict and the given instance is not a CMFP matching instance. For this class of CMFP matching instances, we prove that every mechanism that produces the unique stable fractional matching is (a) incentive compatible and further (b) resistant to coalitional manipulations.

In this paper we propose a methodology to accelerate the resolution of the so-called "Sorted L-One Penalized Estimation" (SLOPE) problem. Our method leverages the concept of "safe screening", well-studied in the literature for \textit{group-separable} sparsity-inducing norms, and aims at identifying the zeros in the solution of SLOPE. More specifically, we derive a set of \(\tfrac{n(n+1)}{2}\) inequalities for each element of the \(n\)-dimensional primal vector and prove that the latter can be safely screened if some subsets of these inequalities are verified. We propose moreover an efficient algorithm to jointly apply the proposed procedure to all the primal variables. Our procedure has a complexity \(\mathcal{O}(n\log n + LT)\) where \(T\leq n\) is a problem-dependent constant and \(L\) is the number of zeros identified by the tests. Numerical experiments confirm that, for a prescribed computational budget, the proposed methodology leads to significant improvements of the solving precision.

Designers reportedly struggle with design optimization tasks where they are asked to find a combination of design parameters that maximizes a given set of objectives. In HCI, design optimization problems are often exceedingly complex, involving multiple objectives and expensive empirical evaluations. Model-based computational design algorithms assist designers by generating design examples during design, however they assume a model of the interaction domain. Black box methods for assistance, on the other hand, can work with any design problem. However, virtually all empirical studies of this human-in-the-loop approach have been carried out by either researchers or end-users. The question stands out if such methods can help designers in realistic tasks. In this paper, we study Bayesian optimization as an algorithmic method to guide the design optimization process. It operates by proposing to a designer which design candidate to try next, given previous observations. We report observations from a comparative study with 40 novice designers who were tasked to optimize a complex 3D touch interaction technique. The optimizer helped designers explore larger proportions of the design space and arrive at a better solution, however they reported lower agency and expressiveness. Designers guided by an optimizer reported lower mental effort but also felt less creative and less in charge of the progress. We conclude that human-in-the-loop optimization can support novice designers in cases where agency is not critical.

One of the most important problems in system identification and statistics is how to estimate the unknown parameters of a given model. Optimization methods and specialized procedures, such as Empirical Minimization (EM) can be used in case the likelihood function can be computed. For situations where one can only simulate from a parametric model, but the likelihood is difficult or impossible to evaluate, a technique known as the Two-Stage (TS) Approach can be applied to obtain reliable parametric estimates. Unfortunately, there is currently a lack of theoretical justification for TS. In this paper, we propose a statistical decision-theoretical derivation of TS, which leads to Bayesian and Minimax estimators. We also show how to apply the TS approach on models for independent and identically distributed samples, by computing quantiles of the data as a first step, and using a linear function as the second stage. The proposed method is illustrated via numerical simulations.

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.

Relation prediction for knowledge graphs aims at predicting missing relationships between entities. Despite the importance of inductive relation prediction, most previous works are limited to a transductive setting and cannot process previously unseen entities. The recent proposed subgraph-based relation reasoning models provided alternatives to predict links from the subgraph structure surrounding a candidate triplet inductively. However, we observe that these methods often neglect the directed nature of the extracted subgraph and weaken the role of relation information in the subgraph modeling. As a result, they fail to effectively handle the asymmetric/anti-symmetric triplets and produce insufficient embeddings for the target triplets. To this end, we introduce a \textbf{C}\textbf{o}mmunicative \textbf{M}essage \textbf{P}assing neural network for \textbf{I}nductive re\textbf{L}ation r\textbf{E}asoning, \textbf{CoMPILE}, that reasons over local directed subgraph structures and has a vigorous inductive bias to process entity-independent semantic relations. In contrast to existing models, CoMPILE strengthens the message interactions between edges and entitles through a communicative kernel and enables a sufficient flow of relation information. Moreover, we demonstrate that CoMPILE can naturally handle asymmetric/anti-symmetric relations without the need for explosively increasing the number of model parameters by extracting the directed enclosing subgraphs. Extensive experiments show substantial performance gains in comparison to state-of-the-art methods on commonly used benchmark datasets with variant inductive settings.

With the rapid increase of large-scale, real-world datasets, it becomes critical to address the problem of long-tailed data distribution (i.e., a few classes account for most of the data, while most classes are under-represented). Existing solutions typically adopt class re-balancing strategies such as re-sampling and re-weighting based on the number of observations for each class. In this work, we argue that as the number of samples increases, the additional benefit of a newly added data point will diminish. We introduce a novel theoretical framework to measure data overlap by associating with each sample a small neighboring region rather than a single point. The effective number of samples is defined as the volume of samples and can be calculated by a simple formula $(1-\beta^{n})/(1-\beta)$, where $n$ is the number of samples and $\beta \in [0,1)$ is a hyperparameter. We design a re-weighting scheme that uses the effective number of samples for each class to re-balance the loss, thereby yielding a class-balanced loss. Comprehensive experiments are conducted on artificially induced long-tailed CIFAR datasets and large-scale datasets including ImageNet and iNaturalist. Our results show that when trained with the proposed class-balanced loss, the network is able to achieve significant performance gains on long-tailed datasets.