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We study the performance -- and specifically the rate at which the error probability converges to zero -- of Machine Learning (ML) classification techniques. Leveraging the theory of large deviations, we provide the mathematical conditions for a ML classifier to exhibit error probabilities that vanish exponentially, say $\sim \exp\left(-n\,I + o(n) \right)$, where $n$ is the number of informative observations available for testing (or another relevant parameter, such as the size of the target in an image) and $I$ is the error rate. Such conditions depend on the Fenchel-Legendre transform of the cumulant-generating function of the Data-Driven Decision Function (D3F, i.e., what is thresholded before the final binary decision is made) learned in the training phase. As such, the D3F and, consequently, the related error rate $I$, depend on the given training set, which is assumed of finite size. Interestingly, these conditions can be verified and tested numerically exploiting the available dataset, or a synthetic dataset, generated according to the available information on the underlying statistical model. In other words, the classification error probability convergence to zero and its rate can be computed on a portion of the dataset available for training. Coherently with the large deviations theory, we can also establish the convergence, for $n$ large enough, of the normalized D3F statistic to a Gaussian distribution. This property is exploited to set a desired asymptotic false alarm probability, which empirically turns out to be accurate even for quite realistic values of $n$. Furthermore, approximate error probability curves $\sim \zeta_n \exp\left(-n\,I \right)$ are provided, thanks to the refined asymptotic derivation (often referred to as exact asymptotics), where $\zeta_n$ represents the most representative sub-exponential terms of the error probabilities.

Graph structured data often possess dynamic characters in nature, e.g., the addition of links and nodes, in many real-world applications. Recent years have witnessed the increasing attentions paid to dynamic graph neural networks for modelling such graph data, where almost all the existing approaches assume that when a new link is built, the embeddings of the neighbor nodes should be updated by learning the temporal dynamics to propagate new information. However, such approaches suffer from the limitation that if the node introduced by a new connection contains noisy information, propagating its knowledge to other nodes is not reliable and even leads to the collapse of the model. In this paper, we propose AdaNet: a robust knowledge Adaptation framework via reinforcement learning for dynamic graph neural Networks. In contrast to previous approaches immediately updating the embeddings of the neighbor nodes once adding a new link, AdaNet attempts to adaptively determine which nodes should be updated because of the new link involved. Considering that the decision whether to update the embedding of one neighbor node will have great impact on other neighbor nodes, we thus formulate the selection of node update as a sequence decision problem, and address this problem via reinforcement learning. By this means, we can adaptively propagate knowledge to other nodes for learning robust node embedding representations. To the best of our knowledge, our approach constitutes the first attempt to explore robust knowledge adaptation via reinforcement learning for dynamic graph neural networks. Extensive experiments on three benchmark datasets demonstrate that AdaNet achieves the state-of-the-art performance. In addition, we perform the experiments by adding different degrees of noise into the dataset, quantitatively and qualitatively illustrating the robustness of AdaNet.

Stochastic rounding (SR) offers an alternative to the deterministic IEEE-754 floating-point rounding modes. In some applications such as PDEs, ODEs and neural networks, SR empirically improves the numerical behavior and convergence to accurate solutions while no sound theoretical background has been provided. Recent works by Ipsen, Zhou, Higham, and Mary have computed SR probabilistic error bounds for basic linear algebra kernels. For example, the inner product SR probabilistic bound of the forward error is proportional to $\sqrt$ nu instead of nu for the default rounding mode. To compute the bounds, these works show that the errors accumulated in computation form a martingale. This paper proposes an alternative framework to characterize SR errors based on the computation of the variance. We pinpoint common error patterns in numerical algorithms and propose a lemma that bounds their variance. For each probability and through Bienaym{\'e}-Chebyshev inequality, this bound leads to better probabilistic error bound in several situations. Our method has the advantage of providing a tight probabilistic bound for all algorithms fitting our model. We show how the method can be applied to give SR error bounds for the inner product and Horner polynomial evaluation.

It was observed in \citet{gupta2009differentially} that the Set Cover problem has strong impossibility results under differential privacy. In our work, we observe that these hardness results dissolve when we turn to the Partial Set Cover problem, where we only need to cover a $\rho$-fraction of the elements in the universe, for some $\rho\in(0,1)$. We show that this relaxation enables us to avoid the impossibility results: under loose conditions on the input set system, we give differentially private algorithms which output an explicit set cover with non-trivial approximation guarantees. In particular, this is the first differentially private algorithm which outputs an explicit set cover. Using our algorithm for Partial Set Cover as a subroutine, we give a differentially private (bicriteria) approximation algorithm for a facility location problem which generalizes $k$-center/$k$-supplier with outliers. Like with the Set Cover problem, no algorithm has been able to give non-trivial guarantees for $k$-center/$k$-supplier-type facility location problems due to the high sensitivity and impossibility results. Our algorithm shows that relaxing the covering requirement to serving only a $\rho$-fraction of the population, for $\rho\in(0,1)$, enables us to circumvent the inherent hardness. Overall, our work is an important step in tackling and understanding impossibility results in private combinatorial optimization.

This paper studies the design of two-wave experiments in the presence of spillover effects when the researcher aims to conduct precise inference on treatment effects. We consider units connected through a single network, local dependence among individuals, and a general class of estimands encompassing average treatment and average spillover effects. We introduce a statistical framework for designing two-wave experiments with networks, where the researcher optimizes over participants and treatment assignments to minimize the variance of the estimators of interest, using a first-wave (pilot) experiment to estimate the variance. We derive guarantees for inference on treatment effects and regret guarantees on the variance obtained from the proposed design mechanism. Our results illustrate the existence of a trade-off in the choice of the pilot study and formally characterize the pilot's size relative to the main experiment. Simulations using simulated and real-world networks illustrate the advantages of the method.

Normalization is known to help the optimization of deep neural networks. Curiously, different architectures require specialized normalization methods. In this paper, we study what normalization is effective for Graph Neural Networks (GNNs). First, we adapt and evaluate the existing methods from other domains to GNNs. Faster convergence is achieved with InstanceNorm compared to BatchNorm and LayerNorm. We provide an explanation by showing that InstanceNorm serves as a preconditioner for GNNs, but such preconditioning effect is weaker with BatchNorm due to the heavy batch noise in graph datasets. Second, we show that the shift operation in InstanceNorm results in an expressiveness degradation of GNNs for highly regular graphs. We address this issue by proposing GraphNorm with a learnable shift. Empirically, GNNs with GraphNorm converge faster compared to GNNs using other normalization. GraphNorm also improves the generalization of GNNs, achieving better performance on graph classification benchmarks.

Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely overlooked the important setting of heterophily, where most connected nodes are from different classes. In this work, we propose a novel framework called CPGNN that generalizes GNNs for graphs with either homophily or heterophily. The proposed framework incorporates an interpretable compatibility matrix for modeling the heterophily or homophily level in the graph, which can be learned in an end-to-end fashion, enabling it to go beyond the assumption of strong homophily. Theoretically, we show that replacing the compatibility matrix in our framework with the identity (which represents pure homophily) reduces to GCN. Our extensive experiments demonstrate the effectiveness of our approach in more realistic and challenging experimental settings with significantly less training data compared to previous works: CPGNN variants achieve state-of-the-art results in heterophily settings with or without contextual node features, while maintaining comparable performance in homophily settings.

In order to overcome the expressive limitations of graph neural networks (GNNs), we propose the first method that exploits vector flows over graphs to develop globally consistent directional and asymmetric aggregation functions. We show that our directional graph networks (DGNs) generalize convolutional neural networks (CNNs) when applied on a grid. Whereas recent theoretical works focus on understanding local neighbourhoods, local structures and local isomorphism with no global information flow, our novel theoretical framework allows directional convolutional kernels in any graph. First, by defining a vector field in the graph, we develop a method of applying directional derivatives and smoothing by projecting node-specific messages into the field. Then we propose the use of the Laplacian eigenvectors as such vector field, and we show that the method generalizes CNNs on an n-dimensional grid, and is provably more discriminative than standard GNNs regarding the Weisfeiler-Lehman 1-WL test. Finally, we bring the power of CNN data augmentation to graphs by providing a means of doing reflection, rotation and distortion on the underlying directional field. We evaluate our method on different standard benchmarks and see a relative error reduction of 8\% on the CIFAR10 graph dataset and 11% to 32% on the molecular ZINC dataset. An important outcome of this work is that it enables to translate any physical or biological problems with intrinsic directional axes into a graph network formalism with an embedded directional field.

The accurate and interpretable prediction of future events in time-series data often requires the capturing of representative patterns (or referred to as states) underpinning the observed data. To this end, most existing studies focus on the representation and recognition of states, but ignore the changing transitional relations among them. In this paper, we present evolutionary state graph, a dynamic graph structure designed to systematically represent the evolving relations (edges) among states (nodes) along time. We conduct analysis on the dynamic graphs constructed from the time-series data and show that changes on the graph structures (e.g., edges connecting certain state nodes) can inform the occurrences of events (i.e., time-series fluctuation). Inspired by this, we propose a novel graph neural network model, Evolutionary State Graph Network (EvoNet), to encode the evolutionary state graph for accurate and interpretable time-series event prediction. Specifically, Evolutionary State Graph Network models both the node-level (state-to-state) and graph-level (segment-to-segment) propagation, and captures the node-graph (state-to-segment) interactions over time. Experimental results based on five real-world datasets show that our approach not only achieves clear improvements compared with 11 baselines, but also provides more insights towards explaining the results of event predictions.

Many recent state-of-the-art recommender systems such as D-ATT, TransNet and DeepCoNN exploit reviews for representation learning. This paper proposes a new neural architecture for recommendation with reviews. Our model operates on a multi-hierarchical paradigm and is based on the intuition that not all reviews are created equal, i.e., only a select few are important. The importance, however, should be dynamically inferred depending on the current target. To this end, we propose a review-by-review pointer-based learning scheme that extracts important reviews, subsequently matching them in a word-by-word fashion. This enables not only the most informative reviews to be utilized for prediction but also a deeper word-level interaction. Our pointer-based method operates with a novel gumbel-softmax based pointer mechanism that enables the incorporation of discrete vectors within differentiable neural architectures. Our pointer mechanism is co-attentive in nature, learning pointers which are co-dependent on user-item relationships. Finally, we propose a multi-pointer learning scheme that learns to combine multiple views of interactions between user and item. Overall, we demonstrate the effectiveness of our proposed model via extensive experiments on \textbf{24} benchmark datasets from Amazon and Yelp. Empirical results show that our approach significantly outperforms existing state-of-the-art, with up to 19% and 71% relative improvement when compared to TransNet and DeepCoNN respectively. We study the behavior of our multi-pointer learning mechanism, shedding light on evidence aggregation patterns in review-based recommender systems.