With the rapid development of eXplainable Artificial Intelligence (XAI), perturbation-based XAI algorithms have become quite popular due to their effectiveness and ease of implementation. The vast majority of perturbation-based XAI techniques face the challenge of Out-of-Distribution (OoD) data -- an artifact of randomly perturbed data becoming inconsistent with the original dataset. OoD data leads to the over-confidence problem in model predictions, making the existing XAI approaches unreliable. To our best knowledge, the OoD data problem in perturbation-based XAI algorithms has not been adequately addressed in the literature. In this work, we address this OoD data problem by designing an additional module quantifying the affinity between the perturbed data and the original dataset distribution, which is integrated into the process of aggregation. Our solution is shown to be compatible with the most popular perturbation-based XAI algorithms, such as RISE, OCCLUSION, and LIME. Experiments have confirmed that our methods demonstrate a significant improvement in general cases using both computational and cognitive metrics. Especially in the case of degradation, our proposed approach demonstrates outstanding performance comparing to baselines. Besides, our solution also resolves a fundamental problem with the faithfulness indicator, a commonly used evaluation metric of XAI algorithms that appears to be sensitive to the OoD issue.

When humans solve complex problems, they rarely come up with a decision right-away. Instead, they start with an intuitive decision, reflect upon it, spot mistakes, resolve contradictions and jump between different hypotheses. Thus, they create a sequence of ideas and follow a train of thought that ultimately reaches a conclusive decision. Contrary to this, today's neural classification models are mostly trained to map an input to one single and fixed output. In this paper, we investigate how we can give models the opportunity of a second, third and $k$-th thought. We take inspiration from Hegel's dialectics and propose a method that turns an existing classifier's class prediction (such as the image class forest) into a sequence of predictions (such as forest $\rightarrow$ tree $\rightarrow$ mushroom). Concretely, we propose a correction module that is trained to estimate the model's correctness as well as an iterative prediction update based on the prediction's gradient. Our approach results in a dynamic system over class probability distributions $\unicode{x2014}$ the thought flow. We evaluate our method on diverse datasets and tasks from computer vision and natural language processing. We observe surprisingly complex but intuitive behavior and demonstrate that our method (i) can correct misclassifications, (ii) strengthens model performance, (iii) is robust to high levels of adversarial attacks, (iv) can increase accuracy up to 4% in a label-distribution-shift setting and (iv) provides a tool for model interpretability that uncovers model knowledge which otherwise remains invisible in a single distribution prediction.

We consider the task of feature selection for reconstruction which consists in choosing a small subset of features from which whole data instances can be reconstructed. This is of particular importance in several contexts involving for example costly physical measurements, sensor placement or information compression. To break the intrinsic combinatorial nature of this problem, we formulate the task as optimizing a binary mask distribution enabling an accurate reconstruction. We then face two main challenges. One concerns differentiability issues due to the binary distribution. The second one corresponds to the elimination of redundant information by selecting variables in a correlated fashion which requires modeling the covariance of the binary distribution. We address both issues by introducing a relaxation of the problem via a novel reparameterization of the logitNormal distribution. We demonstrate that the proposed method provides an effective exploration scheme and leads to efficient feature selection for reconstruction through evaluation on several high dimensional image benchmarks. We show that the method leverages the intrinsic geometry of the data, facilitating reconstruction.

Reinforcement learning methods for robotics are increasingly successful due to the constant development of better policy gradient techniques. A precise (low variance) and accurate (low bias) gradient estimator is crucial to face increasingly complex tasks. Traditional policy gradient algorithms use the likelihood-ratio trick, which is known to produce unbiased but high variance estimates. More modern approaches exploit the reparametrization trick, which gives lower variance gradient estimates but requires differentiable value function approximators. In this work, we study a different type of stochastic gradient estimator: the Measure-Valued Derivative. This estimator is unbiased, has low variance, and can be used with differentiable and non-differentiable function approximators. We empirically evaluate this estimator in the actor-critic policy gradient setting and show that it can reach comparable performance with methods based on the likelihood-ratio or reparametrization tricks, both in low and high-dimensional action spaces.

Future climate change scenarios are usually hypothesized using simulations from weather generators. However, there only a few works comparing and evaluating promising deep learning models for weather generation against classical approaches. This study shows preliminary results making such evaluations for the multisite precipitation synthesis task. We compared two open-source weather generators: IBMWeathergen (an extension of the Weathergen library) and RGeneratePrec, and two deep generative models: GAN and VAE, on a variety of metrics. Our preliminary results can serve as a guide for improving the design of deep learning architectures and algorithms for the multisite precipitation synthesis task.

We introduce a new class of graph neural networks (GNNs), by combining several concepts that were so far studied independently - graph kernels, attention-based networks with structural priors and more recently, efficient Transformers architectures applying small memory footprint implicit attention methods via low rank decomposition techniques. The goal of the paper is twofold. Proposed by us Graph Kernel Attention Transformers (or GKATs) are much more expressive than SOTA GNNs as capable of modeling longer-range dependencies within a single layer. Consequently, they can use more shallow architecture design. Furthermore, GKAT attention layers scale linearly rather than quadratically in the number of nodes of the input graphs, even when those graphs are dense, requiring less compute than their regular graph attention counterparts. They achieve it by applying new classes of graph kernels admitting random feature map decomposition via random walks on graphs. As a byproduct of the introduced techniques, we obtain a new class of learnable graph sketches, called graphots, compactly encoding topological graph properties as well as nodes' features. We conducted exhaustive empirical comparison of our method with nine different GNN classes on tasks ranging from motif detection through social network classification to bioinformatics challenges, showing consistent gains coming from GKATs.

Normalizing flows, which learn a distribution by transforming the data to samples from a Gaussian base distribution, have proven powerful density approximations. But their expressive power is limited by this choice of the base distribution. We, therefore, propose to generalize the base distribution to a more elaborate copula distribution to capture the properties of the target distribution more accurately. In a first empirical analysis, we demonstrate that this replacement can dramatically improve the vanilla normalizing flows in terms of flexibility, stability, and effectivity for heavy-tailed data. Our results suggest that the improvements are related to an increased local Lipschitz-stability of the learned flow.

One of the central elements of any causal inference is an object called structural causal model (SCM), which represents a collection of mechanisms and exogenous sources of random variation of the system under investigation (Pearl, 2000). An important property of many kinds of neural networks is universal approximability: the ability to approximate any function to arbitrary precision. Given this property, one may be tempted to surmise that a collection of neural nets is capable of learning any SCM by training on data generated by that SCM. In this paper, we show this is not the case by disentangling the notions of expressivity and learnability. Specifically, we show that the causal hierarchy theorem (Thm. 1, Bareinboim et al., 2020), which describes the limits of what can be learned from data, still holds for neural models. For instance, an arbitrarily complex and expressive neural net is unable to predict the effects of interventions given observational data alone. Given this result, we introduce a special type of SCM called a neural causal model (NCM), and formalize a new type of inductive bias to encode structural constraints necessary for performing causal inferences. Building on this new class of models, we focus on solving two canonical tasks found in the literature known as causal identification and estimation. Leveraging the neural toolbox, we develop an algorithm that is both sufficient and necessary to determine whether a causal effect can be learned from data (i.e., causal identifiability); it then estimates the effect whenever identifiability holds (causal estimation). Simulations corroborate the proposed approach.

The Controller Area Network (CAN) bus works as an important protocol in the real-time In-Vehicle Network (IVN) systems for its simple, suitable, and robust architecture. The risk of IVN devices has still been insecure and vulnerable due to the complex data-intensive architectures which greatly increase the accessibility to unauthorized networks and the possibility of various types of cyberattacks. Therefore, the detection of cyberattacks in IVN devices has become a growing interest. With the rapid development of IVNs and evolving threat types, the traditional machine learning-based IDS has to update to cope with the security requirements of the current environment. Nowadays, the progression of deep learning, deep transfer learning, and its impactful outcome in several areas has guided as an effective solution for network intrusion detection. This manuscript proposes a deep transfer learning-based IDS model for IVN along with improved performance in comparison to several other existing models. The unique contributions include effective attribute selection which is best suited to identify malicious CAN messages and accurately detect the normal and abnormal activities, designing a deep transfer learning-based LeNet model, and evaluating considering real-world data. To this end, an extensive experimental performance evaluation has been conducted. The architecture along with empirical analyses shows that the proposed IDS greatly improves the detection accuracy over the mainstream machine learning, deep learning, and benchmark deep transfer learning models and has demonstrated better performance for real-time IVN security.

Optimal transport maps between two probability distributions $\mu$ and $\nu$ on $\mathbb{R}^d$ have found extensive applications in both machine learning and statistics. In practice, these maps need to be estimated from data sampled according to $\mu$ and $\nu$. Plug-in estimators are perhaps most popular in estimating transport maps in the field of computational optimal transport. In this paper, we provide a comprehensive analysis of the rates of convergences for general plug-in estimators defined via barycentric projections. Our main contribution is a new stability estimate for barycentric projections which proceeds under minimal smoothness assumptions and can be used to analyze general plug-in estimators. We illustrate the usefulness of this stability estimate by first providing rates of convergence for the natural discrete-discrete and semi-discrete estimators of optimal transport maps. We then use the same stability estimate to show that, under additional smoothness assumptions of Besov type or Sobolev type, wavelet based or kernel smoothed plug-in estimators respectively speed up the rates of convergence and significantly mitigate the curse of dimensionality suffered by the natural discrete-discrete/semi-discrete estimators. As a by-product of our analysis, we also obtain faster rates of convergence for plug-in estimators of $W_2(\mu,\nu)$, the Wasserstein distance between $\mu$ and $\nu$, under the aforementioned smoothness assumptions, thereby complementing recent results in Chizat et al. (2020). Finally, we illustrate the applicability of our results in obtaining rates of convergence for Wasserstein barycenters between two probability distributions and obtaining asymptotic detection thresholds for some recent optimal-transport based tests of independence.