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Exponential generalization bounds with near-tight rates have recently been established for uniformly stable learning algorithms. The notion of uniform stability, however, is stringent in the sense that it is invariant to the data-generating distribution. Under the weaker and distribution dependent notions of stability such as hypothesis stability and $L_2$-stability, the literature suggests that only polynomial generalization bounds are possible in general cases. The present paper addresses this long standing tension between these two regimes of results and makes progress towards relaxing it inside a classic framework of confidence-boosting. To this end, we first establish an in-expectation first moment generalization error bound for potentially randomized learning algorithms with $L_2$-stability, based on which we then show that a properly designed subbagging process leads to near-tight exponential generalization bounds over the randomness of both data and algorithm. We further substantialize these generic results to stochastic gradient descent (SGD) to derive improved high-probability generalization bounds for convex or non-convex optimization problems with natural time decaying learning rates, which have not been possible to prove with the existing hypothesis stability or uniform stability based results.

We study the problem of high-dimensional sparse mean estimation in the presence of an $\epsilon$-fraction of adversarial outliers. Prior work obtained sample and computationally efficient algorithms for this task for identity-covariance subgaussian distributions. In this work, we develop the first efficient algorithms for robust sparse mean estimation without a priori knowledge of the covariance. For distributions on $\mathbb R^d$ with "certifiably bounded" $t$-th moments and sufficiently light tails, our algorithm achieves error of $O(\epsilon^{1-1/t})$ with sample complexity $m = (k\log(d))^{O(t)}/\epsilon^{2-2/t}$. For the special case of the Gaussian distribution, our algorithm achieves near-optimal error of $\tilde O(\epsilon)$ with sample complexity $m = O(k^4 \mathrm{polylog}(d))/\epsilon^2$. Our algorithms follow the Sum-of-Squares based, proofs to algorithms approach. We complement our upper bounds with Statistical Query and low-degree polynomial testing lower bounds, providing evidence that the sample-time-error tradeoffs achieved by our algorithms are qualitatively the best possible.

We show that many graphs with bounded treewidth can be described as subgraphs of the strong product of a graph with smaller treewidth and a bounded-size complete graph. To this end, define the "underlying treewidth" of a graph class $\mathcal{G}$ to be the minimum non-negative integer $c$ such that, for some function $f$, for every graph ${G \in \mathcal{G}}$ there is a graph $H$ with ${\text{tw}(H) \leq c}$ such that $G$ is isomorphic to a subgraph of ${H \boxtimes K_{f(\text{tw}(G))}}$. We introduce disjointed coverings of graphs and show they determine the underlying treewidth of any graph class. Using this result, we prove that the class of planar graphs has underlying treewidth 3; the class of $K_{s,t}$-minor-free graphs has underlying treewidth $s$ (for ${t \geq \max\{s,3\}}$); and the class of $K_t$-minor-free graphs has underlying treewidth ${t-2}$. In general, we prove that a monotone class has bounded underlying treewidth if and only if it excludes some fixed topological minor. We also study the underlying treewidth of graph classes defined by an excluded subgraph or excluded induced subgraph. We show that the class of graphs with no $H$ subgraph has bounded underlying treewidth if and only if every component of $H$ is a subdivided star, and that the class of graphs with no induced $H$ subgraph has bounded underlying treewidth if and only if every component of $H$ is a star.

Motion planning is a ubiquitous problem that is often a bottleneck in robotic applications. We demonstrate that motion planning problems such as minimum constraint removal, belief-space planning, and visibility-aware motion planning (VAMP) benefit from a path-dependent formulation, in which the state at a search node is represented implicitly by the path to that node. A naive approach to computing the feasibility of a successor node in such a path-dependent formulation takes time linear in the path length to the node, in contrast to a (possibly very large) constant time for a more typical search formulation. For long-horizon plans, performing this linear-time computation, which we call the lookback, for each node becomes prohibitive. To improve upon this, we introduce the use of a fully persistent spatial data structure (FPSDS), which bounds the size of the lookback. We then focus on the application of the FPSDS in VAMP, which involves incremental geometric computations that can be accelerated by filtering configurations with bounding volumes using nearest-neighbor data structures. We demonstrate an asymptotic and practical improvement in the runtime of finding VAMP solutions in several illustrative domains. To the best of our knowledge, this is the first use of a fully persistent data structure for accelerating motion planning.

We propose a theoretical framework that generalizes simple and fast algorithms for hierarchical agglomerative clustering to weighted graphs with both attractive and repulsive interactions between the nodes. This framework defines GASP, a Generalized Algorithm for Signed graph Partitioning, and allows us to explore many combinations of different linkage criteria and cannot-link constraints. We prove the equivalence of existing clustering methods to some of those combinations and introduce new algorithms for combinations that have not been studied before. We study both theoretical and empirical properties of these combinations and prove that some of these define an ultrametric on the graph. We conduct a systematic comparison of various instantiations of GASP on a large variety of both synthetic and existing signed clustering problems, in terms of accuracy but also efficiency and robustness to noise. Lastly, we show that some of the algorithms included in our framework, when combined with the predictions from a CNN model, result in a simple bottom-up instance segmentation pipeline. Going all the way from pixels to final segments with a simple procedure, we achieve state-of-the-art accuracy on the CREMI 2016 EM segmentation benchmark without requiring domain-specific superpixels.

We propose a geometric scattering-based graph neural network (GNN) for approximating solutions of the NP-hard maximal clique (MC) problem. We construct a loss function with two terms, one which encourages the network to find a large set of nodes and the other which acts as a surrogate for the constraint that the nodes form a clique. We then use this loss to train a novel GNN architecture that outputs a vector representing the probability for each node to be part of the MC and apply a rule-based decoder to make our final prediction. The incorporation of the scattering transform alleviates the so-called oversmoothing problem that is often encountered in GNNs and would degrade the performance of our proposed setup. Our empirical results demonstrate that our method outperforms representative GNN baselines in terms of solution accuracy and inference speed as well as conventional solvers like GUROBI with limited time budgets.

Graph Neural Networks (GNNs) have been widely used for modeling graph-structured data. With the development of numerous GNN variants, recent years have witnessed groundbreaking results in improving the scalability of GNNs to work on static graphs with millions of nodes. However, how to instantly represent continuous changes of large-scale dynamic graphs with GNNs is still an open problem. Existing dynamic GNNs focus on modeling the periodic evolution of graphs, often on a snapshot basis. Such methods suffer from two drawbacks: first, there is a substantial delay for the changes in the graph to be reflected in the graph representations, resulting in losses on the model's accuracy; second, repeatedly calculating the representation matrix on the entire graph in each snapshot is predominantly time-consuming and severely limits the scalability. In this paper, we propose Instant Graph Neural Network (InstantGNN), an incremental computation approach for the graph representation matrix of dynamic graphs. Set to work with dynamic graphs with the edge-arrival model, our method avoids time-consuming, repetitive computations and allows instant updates on the representation and instant predictions. Graphs with dynamic structures and dynamic attributes are both supported. The upper bounds of time complexity of those updates are also provided. Furthermore, our method provides an adaptive training strategy, which guides the model to retrain at moments when it can make the greatest performance gains. We conduct extensive experiments on several real-world and synthetic datasets. Empirical results demonstrate that our model achieves state-of-the-art accuracy while having orders-of-magnitude higher efficiency than existing methods.

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.

Sources of commonsense knowledge aim to support applications in natural language understanding, computer vision, and knowledge graphs. These sources contain complementary knowledge to each other, which makes their integration desired. Yet, such integration is not trivial because of their different foci, modeling approaches, and sparse overlap. In this paper, we propose to consolidate commonsense knowledge by following five principles. We apply these principles to combine seven key sources into a first integrated CommonSense Knowledge Graph (CSKG). We perform analysis of CSKG and its various text and graph embeddings, showing that CSKG is a well-connected graph and that its embeddings provide a useful entry point to the graph. Moreover, we show the impact of CSKG as a source for reasoning evidence retrieval, and for pre-training language models for generalizable downstream reasoning. CSKG and all its embeddings are made publicly available to support further research on commonsense knowledge integration and reasoning.

Inferring missing links in knowledge graphs (KG) has attracted a lot of attention from the research community. In this paper, we tackle a practical query answering task involving predicting the relation of a given entity pair. We frame this prediction problem as an inference problem in a probabilistic graphical model and aim at resolving it from a variational inference perspective. In order to model the relation between the query entity pair, we assume that there exists an underlying latent variable (paths connecting two nodes) in the KG, which carries the equivalent semantics of their relations. However, due to the intractability of connections in large KGs, we propose to use variation inference to maximize the evidence lower bound. More specifically, our framework (\textsc{Diva}) is composed of three modules, i.e. a posterior approximator, a prior (path finder), and a likelihood (path reasoner). By using variational inference, we are able to incorporate them closely into a unified architecture and jointly optimize them to perform KG reasoning. With active interactions among these sub-modules, \textsc{Diva} is better at handling noise and coping with more complex reasoning scenarios. In order to evaluate our method, we conduct the experiment of the link prediction task on multiple datasets and achieve state-of-the-art performances on both datasets.