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Graph neural networks (GNNs) are widely used for modeling complex interactions between entities represented as vertices of a graph. Despite recent efforts to theoretically analyze the expressive power of GNNs, a formal characterization of their ability to model interactions is lacking. The current paper aims to address this gap. Formalizing strength of interactions through an established measure known as separation rank, we quantify the ability of certain GNNs to model interaction between a given subset of vertices and its complement, i.e. between sides of a given partition of input vertices. Our results reveal that the ability to model interaction is primarily determined by the partition's walk index -- a graph-theoretical characteristic that we define by the number of walks originating from the boundary of the partition. Experiments with common GNN architectures corroborate this finding. As a practical application of our theory, we design an edge sparsification algorithm named Walk Index Sparsification (WIS), which preserves the ability of a GNN to model interactions when input edges are removed. WIS is simple, computationally efficient, and markedly outperforms alternative methods in terms of induced prediction accuracy. More broadly, it showcases the potential of improving GNNs by theoretically analyzing the interactions they can model.

A theoretical expression is derived for the mean squared error of a nonparametric estimator of the tail dependence coefficient, depending on a threshold that defines which rank delimits the tails of a distribution. We propose a new method to optimally select this threshold. It combines the theoretical mean squared error of the estimator with a parametric estimation of the copula linking observations in the tails. Using simulations, we compare this semiparametric method with other approaches proposed in the literature, including the plateau-finding algorithm.

In this paper, different strands of literature are combined in order to obtain algorithms for semi-parametric estimation of discrete choice models that include the modelling of unobserved heterogeneity by using mixing distributions for the parameters defining the preferences. The models use the theory on non-parametric maximum likelihood estimation (NP-MLE) that has been developed for general mixing models. The expectation-maximization (EM) techniques used in the NP-MLE literature are combined with strategies for choosing appropriate approximating models using adaptive grid techniques. \\ Jointly this leads to techniques for specification and estimation that can be used to obtain a consistent specification of the mixing distribution. Additionally, also algorithms for the estimation are developed that help to decrease problems due to the curse of dimensionality. \\ The proposed algorithms are demonstrated in a small scale simulation study to be useful for the specification and estimation of mixture models in the discrete choice context providing some information on the specification of the mixing distribution. The simulations document that some aspects of the mixing distribution such as the expectation can be estimated reliably. They also demonstrate, however, that typically different approximations to the mixing distribution lead to similar values of the likelihood and hence are hard to discriminate. Therefore it does not appear to be possible to reliably infer the most appropriate parametric form for the estimated mixing distribution.

Parametric timed automata are a powerful formalism for reasoning on concurrent real-time systems with unknown or uncertain timing constants. Reducing their state space is a significant way to reduce the inherently large analysis times. We present here different merging reduction techniques based on convex union of constraints (parametric zones), allowing to decrease the number of states while preserving the correctness of verification and synthesis results. We perform extensive experiments, and identify the best heuristics in practice, bringing a significant decrease in the computation time on a benchmarks library.

Non-additive measures, also known as fuzzy measures, capacities, and monotonic games, are increasingly used in different fields. Applications have been built within computer science and artificial intelligence related to e.g. decision making, image processing, machine learning for both classification, and regression. Tools for measure identification have been built. In short, as non-additive measures are more general than additive ones (i.e., than probabilities), they have better modeling capabilities allowing to model situations and problems that cannot be modeled by the latter. See e.g. the application of non-additive measures and the Choquet integral to model both Ellsberg paradox and Allais paradox. Because of that, there is an increasing need to analyze non-additive measures. The need for distances and similarities to compare them is no exception. Some work has been done for defining $f$-divergence for them. In this work we tackle the problem of defining the optimal transport problem for non-additive measures. Distances for pairs of probability distributions based on the optimal transport are extremely used in practical applications, and they are being studied extensively for their mathematical properties. We consider that it is necessary to provide appropriate definitions with a similar flavour, and that generalize the standard ones, for non-additive measures. We provide definitions based on the M\"obius transform, but also based on the $(\max, +)$-transform that we consider that has some advantages. We will discuss in this paper the problems that arise to define the transport problem for non-additive measures, and discuss ways to solve them. In this paper we provide the definitions of the optimal transport problem, and prove some properties.

In off-policy reinforcement learning, a behaviour policy performs exploratory interactions with the environment to obtain state-action-reward samples which are then used to learn a target policy that optimises the expected return. This leads to a problem of off-policy evaluation, where one needs to evaluate the target policy from samples collected by the often unrelated behaviour policy. Importance sampling is a traditional statistical technique that is often applied to off-policy evaluation. While importance sampling estimators are unbiased, their variance increases exponentially with the horizon of the decision process due to computing the importance weight as a product of action probability ratios, yielding estimates with low accuracy for domains involving long-term planning. This paper proposes state-based importance sampling (SIS), which drops the action probability ratios of sub-trajectories with "neglible states" -- roughly speaking, those for which the chosen actions have no impact on the return estimate -- from the computation of the importance weight. Theoretical results show that this results in a reduction of the exponent in the variance upper bound as well as improving the mean squared error. An automated search algorithm based on covariance testing is proposed to identify a negligible state set which has minimal MSE when performing state-based importance sampling. Experiments are conducted on a lift domain, which include "lift states" where the action has no impact on the following state and reward. The results demonstrate that using the search algorithm, SIS yields reduced variance and improved accuracy compared to traditional importance sampling, per-decision importance sampling, and incremental importance sampling.

The optimal error estimate that depending only on the polynomial degree of $ \varepsilon^{-1}$ is established for the temporal semi-discrete scheme of the Cahn-Hilliard equation, which is based on the scalar auxiliary variable (SAV) formulation. The key to our analysis is to convert the structure of the SAV time-stepping scheme back to a form compatible with the original format of the Cahn-Hilliard equation, which makes it feasible to use spectral estimates to handle the nonlinear term. Based on the transformation of the SAV numerical scheme, the optimal error estimate for the temporal semi-discrete scheme which depends only on the low polynomial order of $\varepsilon^{-1}$ instead of the exponential order, is derived by using mathematical induction, spectral arguments, and the superconvergence properties of some nonlinear terms. Numerical examples are provided to illustrate the discrete energy decay property and validate our theoretical convergence analysis.

This paper aims to mitigate straggler effects in synchronous distributed learning for multi-agent reinforcement learning (MARL) problems. Stragglers arise frequently in a distributed learning system, due to the existence of various system disturbances such as slow-downs or failures of compute nodes and communication bottlenecks. To resolve this issue, we propose a coded distributed learning framework, which speeds up the training of MARL algorithms in the presence of stragglers, while maintaining the same accuracy as the centralized approach. As an illustration, a coded distributed version of the multi-agent deep deterministic policy gradient(MADDPG) algorithm is developed and evaluated. Different coding schemes, including maximum distance separable (MDS)code, random sparse code, replication-based code, and regular low density parity check (LDPC) code are also investigated. Simulations in several multi-robot problems demonstrate the promising performance of the proposed framework.

How can we estimate the importance of nodes in a knowledge graph (KG)? A KG is a multi-relational graph that has proven valuable for many tasks including question answering and semantic search. In this paper, we present GENI, a method for tackling the problem of estimating node importance in KGs, which enables several downstream applications such as item recommendation and resource allocation. While a number of approaches have been developed to address this problem for general graphs, they do not fully utilize information available in KGs, or lack flexibility needed to model complex relationship between entities and their importance. To address these limitations, we explore supervised machine learning algorithms. In particular, building upon recent advancement of graph neural networks (GNNs), we develop GENI, a GNN-based method designed to deal with distinctive challenges involved with predicting node importance in KGs. Our method performs an aggregation of importance scores instead of aggregating node embeddings via predicate-aware attention mechanism and flexible centrality adjustment. In our evaluation of GENI and existing methods on predicting node importance in real-world KGs with different characteristics, GENI achieves 5-17% higher NDCG@100 than the state of the art.

While it is nearly effortless for humans to quickly assess the perceptual similarity between two images, the underlying processes are thought to be quite complex. Despite this, the most widely used perceptual metrics today, such as PSNR and SSIM, are simple, shallow functions, and fail to account for many nuances of human perception. Recently, the deep learning community has found that features of the VGG network trained on the ImageNet classification task has been remarkably useful as a training loss for image synthesis. But how perceptual are these so-called "perceptual losses"? What elements are critical for their success? To answer these questions, we introduce a new Full Reference Image Quality Assessment (FR-IQA) dataset of perceptual human judgments, orders of magnitude larger than previous datasets. We systematically evaluate deep features across different architectures and tasks and compare them with classic metrics. We find that deep features outperform all previous metrics by huge margins. More surprisingly, this result is not restricted to ImageNet-trained VGG features, but holds across different deep architectures and levels of supervision (supervised, self-supervised, or even unsupervised). Our results suggest that perceptual similarity is an emergent property shared across deep visual representations.