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In recent work (Maierhofer & Huybrechs, 2022, Adv. Comput. Math.), the authors showed that least-squares oversampling can improve the convergence properties of collocation methods for boundary integral equations involving operators of certain pseudo-differential form. The underlying principle is that the discrete method approximates a Bubnov$-$Galerkin method in a suitable sense. In the present work, we extend this analysis to the case when the integral operator is perturbed by a compact operator $\mathcal{K}$ which is continuous as a map on Sobolev spaces on the boundary, $\mathcal{K}:H^{p}\rightarrow H^{q}$ for all $p,q\in\mathbb{R}$. This study is complicated by the fact that both the test and trial functions in the discrete Bubnov-Galerkin orthogonality conditions are modified over the unperturbed setting. Our analysis guarantees that previous results concerning optimal convergence rates and sufficient rates of oversampling are preserved in the more general case. Indeed, for the first time, this analysis provides a complete explanation of the advantages of least-squares oversampled collocation for boundary integral formulations of the Laplace equation on arbitrary smooth Jordan curves in 2D. Our theoretical results are shown to be in very good agreement with numerical experiments.

This paper addresses theory and applications of $\ell_p$-based Laplacian regularization in semi-supervised learning. The graph $p$-Laplacian for $p>2$ has been proposed recently as a replacement for the standard ($p=2$) graph Laplacian in semi-supervised learning problems with very few labels, where Laplacian learning is degenerate. In the first part of the paper we prove new discrete to continuum convergence results for $p$-Laplace problems on $k$-nearest neighbor ($k$-NN) graphs, which are more commonly used in practice than random geometric graphs. Our analysis shows that, on $k$-NN graphs, the $p$-Laplacian retains information about the data distribution as $p\to \infty$ and Lipschitz learning ($p=\infty$) is sensitive to the data distribution. This situation can be contrasted with random geometric graphs, where the $p$-Laplacian forgets the data distribution as $p\to \infty$. We also present a general framework for proving discrete to continuum convergence results in graph-based learning that only requires pointwise consistency and monotonicity. In the second part of the paper, we develop fast algorithms for solving the variational and game-theoretic $p$-Laplace equations on weighted graphs for $p>2$. We present several efficient and scalable algorithms for both formulations, and present numerical results on synthetic data indicating their convergence properties. Finally, we conduct extensive numerical experiments on the MNIST, FashionMNIST and EMNIST datasets that illustrate the effectiveness of the $p$-Laplacian formulation for semi-supervised learning with few labels. In particular, we find that Lipschitz learning ($p=\infty$) performs well with very few labels on $k$-NN graphs, which experimentally validates our theoretical findings that Lipschitz learning retains information about the data distribution (the unlabeled data) on $k$-NN graphs.

While a lot of research in explainable AI focuses on producing effective explanations, less work is devoted to the question of how people understand and interpret the explanation. In this work, we focus on this question through a study of saliency-based explanations over textual data. Feature-attribution explanations of text models aim to communicate which parts of the input text were more influential than others towards the model decision. Many current explanation methods, such as gradient-based or Shapley value-based methods, provide measures of importance which are well-understood mathematically. But how does a person receiving the explanation (the explainee) comprehend it? And does their understanding match what the explanation attempted to communicate? We empirically investigate the effect of various factors of the input, the feature-attribution explanation, and visualization procedure, on laypeople's interpretation of the explanation. We query crowdworkers for their interpretation on tasks in English and German, and fit a GAMM model to their responses considering the factors of interest. We find that people often mis-interpret the explanations: superficial and unrelated factors, such as word length, influence the explainees' importance assignment despite the explanation communicating importance directly. We then show that some of this distortion can be attenuated: we propose a method to adjust saliencies based on model estimates of over- and under-perception, and explore bar charts as an alternative to heatmap saliency visualization. We find that both approaches can attenuate the distorting effect of specific factors, leading to better-calibrated understanding of the explanation.

It is nowadays widely acknowledged that optimal structural design should be robust with respect to the uncertainties in loads and material parameters. However, there are several alternatives to consider such uncertainties in structural optimization problems. This paper presents a comprehensive comparison between the results of three different approaches to topology optimization under uncertain loading, considering stress constraints: 1) the robust formulation, which requires only the mean and standard deviation of stresses at each element; 2) the reliability-based formulation, which imposes a reliability constraint on computed stresses; 3) the non-probabilistic formulation, which considers a worst-case scenario for the stresses caused by uncertain loads. The information required by each method, regarding the uncertain loads, and the uncertainty propagation approach used in each case is quite different. The robust formulation requires only mean and standard deviation of uncertain loads; stresses are computed via a first-order perturbation approach. The reliability-based formulation requires full probability distributions of random loads, reliability constraints are computed via a first-order performance measure approach. The non-probabilistic formulation is applicable for bounded uncertain loads; only lower and upper bounds are used, and worst-case stresses are computed via a nested optimization with anti-optimization. The three approaches are quite different in the handling of uncertainties; however, the basic topology optimization framework is the same: the traditional density approach is employed for material parameterization, while the augmented Lagrangian method is employed to solve the resulting problem, in order to handle the large number of stress constraints.

Several queries and scores have recently been proposed to explain individual predictions over ML models. Given the need for flexible, reliable, and easy-to-apply interpretability methods for ML models, we foresee the need for developing declarative languages to naturally specify different explainability queries. We do this in a principled way by rooting such a language in a logic, called FOIL, that allows for expressing many simple but important explainability queries, and might serve as a core for more expressive interpretability languages. We study the computational complexity of FOIL queries over two classes of ML models often deemed to be easily interpretable: decision trees and OBDDs. Since the number of possible inputs for an ML model is exponential in its dimension, the tractability of the FOIL evaluation problem is delicate but can be achieved by either restricting the structure of the models or the fragment of FOIL being evaluated. We also present a prototype implementation of FOIL wrapped in a high-level declarative language and perform experiments showing that such a language can be used in practice.

Distance based knowledge graph embedding methods show promising results on link prediction task, on which two topics have been widely studied: one is the ability to handle complex relations, such as N-to-1, 1-to-N and N-to-N, the other is to encode various relation patterns, such as symmetry/antisymmetry. However, the existing methods fail to solve these two problems at the same time, which leads to unsatisfactory results. To mitigate this problem, we propose PairRE, a model with paired vectors for each relation representation. The paired vectors enable an adaptive adjustment of the margin in loss function to fit for complex relations. Besides, PairRE is capable of encoding three important relation patterns, symmetry/antisymmetry, inverse and composition. Given simple constraints on relation representations, PairRE can encode subrelation further. Experiments on link prediction benchmarks demonstrate the proposed key capabilities of PairRE. Moreover, We set a new state-of-the-art on two knowledge graph datasets of the challenging Open Graph Benchmark.

The model parameters of convolutional neural networks (CNNs) are determined by backpropagation (BP). In this work, we propose an interpretable feedforward (FF) design without any BP as a reference. The FF design adopts a data-centric approach. It derives network parameters of the current layer based on data statistics from the output of the previous layer in a one-pass manner. To construct convolutional layers, we develop a new signal transform, called the Saab (Subspace Approximation with Adjusted Bias) transform. It is a variant of the principal component analysis (PCA) with an added bias vector to annihilate activation's nonlinearity. Multiple Saab transforms in cascade yield multiple convolutional layers. As to fully-connected (FC) layers, we construct them using a cascade of multi-stage linear least squared regressors (LSRs). The classification and robustness (against adversarial attacks) performances of BP- and FF-designed CNNs applied to the MNIST and the CIFAR-10 datasets are compared. Finally, we comment on the relationship between BP and FF designs.

Visual Question answering is a challenging problem requiring a combination of concepts from Computer Vision and Natural Language Processing. Most existing approaches use a two streams strategy, computing image and question features that are consequently merged using a variety of techniques. Nonetheless, very few rely on higher level image representations, which allow to capture semantic and spatial relationships. In this paper, we propose a novel graph-based approach for Visual Question Answering. Our method combines a graph learner module, which learns a question specific graph representation of the input image, with the recent concept of graph convolutions, aiming to learn image representations that capture question specific interactions. We test our approach on the VQA v2 dataset using a simple baseline architecture enhanced by the proposed graph learner module. We obtain state of the art results with 66.18% accuracy and demonstrate the interpretability of the proposed method.

Active learning has long been a topic of study in machine learning. However, as increasingly complex and opaque models have become standard practice, the process of active learning, too, has become more opaque. There has been little investigation into interpreting what specific trends and patterns an active learning strategy may be exploring. This work expands on the Local Interpretable Model-agnostic Explanations framework (LIME) to provide explanations for active learning recommendations. We demonstrate how LIME can be used to generate locally faithful explanations for an active learning strategy, and how these explanations can be used to understand how different models and datasets explore a problem space over time. In order to quantify the per-subgroup differences in how an active learning strategy queries spatial regions, we introduce a notion of uncertainty bias (based on disparate impact) to measure the discrepancy in the confidence for a model's predictions between one subgroup and another. Using the uncertainty bias measure, we show that our query explanations accurately reflect the subgroup focus of the active learning queries, allowing for an interpretable explanation of what is being learned as points with similar sources of uncertainty have their uncertainty bias resolved. We demonstrate that this technique can be applied to track uncertainty bias over user-defined clusters or automatically generated clusters based on the source of uncertainty.

In this work, we compare three different modeling approaches for the scores of soccer matches with regard to their predictive performances based on all matches from the four previous FIFA World Cups 2002 - 2014: Poisson regression models, random forests and ranking methods. While the former two are based on the teams' covariate information, the latter method estimates adequate ability parameters that reflect the current strength of the teams best. Within this comparison the best-performing prediction methods on the training data turn out to be the ranking methods and the random forests. However, we show that by combining the random forest with the team ability parameters from the ranking methods as an additional covariate we can improve the predictive power substantially. Finally, this combination of methods is chosen as the final model and based on its estimates, the FIFA World Cup 2018 is simulated repeatedly and winning probabilities are obtained for all teams. The model slightly favors Spain before the defending champion Germany. Additionally, we provide survival probabilities for all teams and at all tournament stages as well as the most probable tournament outcome.