Besides accuracy, recent studies on machine learning models have been addressing the question on how the obtained results can be interpreted. Indeed, while complex machine learning models are able to provide very good results in terms of accuracy even in challenging applications, it is difficult to interpret them. Aiming at providing some interpretability for such models, one of the most famous methods, called SHAP, borrows the Shapley value concept from game theory in order to locally explain the predicted outcome of an instance of interest. As the SHAP values calculation needs previous computations on all possible coalitions of attributes, its computational cost can be very high. Therefore, a SHAP-based method called Kernel SHAP adopts an efficient strategy that approximate such values with less computational effort. In this paper, we also address local interpretability in machine learning based on Shapley values. Firstly, we provide a straightforward formulation of a SHAP-based method for local interpretability by using the Choquet integral, which leads to both Shapley values and Shapley interaction indices. Moreover, we also adopt the concept of $k$-additive games from game theory, which contributes to reduce the computational effort when estimating the SHAP values. The obtained results attest that our proposal needs less computations on coalitions of attributes to approximate the SHAP values.

主成分分析（PCA）是信号处理中无处不在的维度降低技术，搜索一个投影矩阵，该矩阵最小化了还原数据集和原始数据集之间的平方误差。由于经典的PCA并非量身定制用于解决与公平性有关的问题，因此其对实际问题的应用可能会导致不同群体的重建错误（例如，男人和女人，白人和黑人等）的差异，并带来可能有害的后果，例如引入偏见对敏感群体。尽管最近提出了几种公平的PCA版本，但在搜索算法中仍然存在基本差距，这些算法足够简单，可以部署在实际系统中。为了解决这个问题，我们提出了一种新颖的PCA算法，该算法通过一个简单的策略来解决公平问题，该策略包括一维搜索，该搜索利用了PCA的封闭形式解决方案。如数值实验所证明的那样，该提案可以通过总体重建误差的损失很小，而无需诉诸复杂的优化方案，从而显着提高公平性。此外，我们的发现在几种真实情况以及在具有不平衡和平衡数据集的情况下是一致的。

Real-world robotic grasping can be done robustly if a complete 3D Point Cloud Data (PCD) of an object is available. However, in practice, PCDs are often incomplete when objects are viewed from few and sparse viewpoints before the grasping action, leading to the generation of wrong or inaccurate grasp poses. We propose a novel grasping strategy, named 3DSGrasp, that predicts the missing geometry from the partial PCD to produce reliable grasp poses. Our proposed PCD completion network is a Transformer-based encoder-decoder network with an Offset-Attention layer. Our network is inherently invariant to the object pose and point's permutation, which generates PCDs that are geometrically consistent and completed properly. Experiments on a wide range of partial PCD show that 3DSGrasp outperforms the best state-of-the-art method on PCD completion tasks and largely improves the grasping success rate in real-world scenarios. The code and dataset will be made available upon acceptance.

The visual dimension of cities has been a fundamental subject in urban studies, since the pioneering work of scholars such as Sitte, Lynch, Arnheim, and Jacobs. Several decades later, big data and artificial intelligence (AI) are revolutionizing how people move, sense, and interact with cities. This paper reviews the literature on the appearance and function of cities to illustrate how visual information has been used to understand them. A conceptual framework, Urban Visual Intelligence, is introduced to systematically elaborate on how new image data sources and AI techniques are reshaping the way researchers perceive and measure cities, enabling the study of the physical environment and its interactions with socioeconomic environments at various scales. The paper argues that these new approaches enable researchers to revisit the classic urban theories and themes, and potentially help cities create environments that are more in line with human behaviors and aspirations in the digital age.

There has been significant work recently in developing machine learning models in high energy physics (HEP), for tasks such as classification, simulation, and anomaly detection. Typically, these models are adapted from those designed for datasets in computer vision or natural language processing without necessarily incorporating inductive biases suited to HEP data, such as respecting its inherent symmetries. Such inductive biases can make the model more performant and interpretable, and reduce the amount of training data needed. To that end, we develop the Lorentz group autoencoder (LGAE), an autoencoder model equivariant with respect to the proper, orthochronous Lorentz group $\mathrm{SO}^+(3,1)$, with a latent space living in the representations of the group. We present our architecture and several experimental results on jets at the LHC and find it significantly outperforms a non-Lorentz-equivariant graph neural network baseline on compression and reconstruction, and anomaly detection. We also demonstrate the advantage of such an equivariant model in analyzing the latent space of the autoencoder, which can have a significant impact on the explainability of anomalies found by such black-box machine learning models.

This chapter sheds light on the synaptic organization of the brain from the perspective of computational neuroscience. It provides an introductory overview on how to account for empirical data in mathematical models, implement them in software, and perform simulations reflecting experiments. This path is demonstrated with respect to four key aspects of synaptic signaling: the connectivity of brain networks, synaptic transmission, synaptic plasticity, and the heterogeneity across synapses. Each step and aspect of the modeling and simulation workflow comes with its own challenges and pitfalls, which are highlighted and addressed in detail.

Simulating quantum channels is a fundamental primitive in quantum computing, since quantum channels define general (trace-preserving) quantum operations. An arbitrary quantum channel cannot be exactly simulated using a finite-dimensional programmable quantum processor, making it important to develop optimal approximate simulation techniques. In this paper, we study the challenging setting in which the channel to be simulated varies adversarially with time. We propose the use of matrix exponentiated gradient descent (MEGD), an online convex optimization method, and analytically show that it achieves a sublinear regret in time. Through experiments, we validate the main results for time-varying dephasing channels using a programmable generalized teleportation processor.

The findable, accessible, interoperable, and reusable (FAIR) data principles have provided a framework for examining, evaluating, and improving how we share data with the aim of facilitating scientific discovery. Efforts have been made to generalize these principles to research software and other digital products. Artificial intelligence (AI) models -- algorithms that have been trained on data rather than explicitly programmed -- are an important target for this because of the ever-increasing pace with which AI is transforming scientific and engineering domains. In this paper, we propose a practical definition of FAIR principles for AI models and create a FAIR AI project template that promotes adherence to these principles. We demonstrate how to implement these principles using a concrete example from experimental high energy physics: a graph neural network for identifying Higgs bosons decaying to bottom quarks. We study the robustness of these FAIR AI models and their portability across hardware architectures and software frameworks, and report new insights on the interpretability of AI predictions by studying the interplay between FAIR datasets and AI models. Enabled by publishing FAIR AI models, these studies pave the way toward reliable and automated AI-driven scientific discovery.

Electricity prices in liberalized markets are determined by the supply and demand for electric power, which are in turn driven by various external influences that vary strongly in time. In perfect competition, the merit order principle describes that dispatchable power plants enter the market in the order of their marginal costs to meet the residual load, i.e. the difference of load and renewable generation. Many market models implement this principle to predict electricity prices but typically require certain assumptions and simplifications. In this article, we present an explainable machine learning model for the prices on the German day-ahead market, which substantially outperforms a benchmark model based on the merit order principle. Our model is designed for the ex-post analysis of prices and thus builds on various external features. Using Shapley Additive exPlanation (SHAP) values, we can disentangle the role of the different features and quantify their importance from empiric data. Load, wind and solar generation are most important, as expected, but wind power appears to affect prices stronger than solar power does. Fuel prices also rank highly and show nontrivial dependencies, including strong interactions with other features revealed by a SHAP interaction analysis. Large generation ramps are correlated with high prices, again with strong feature interactions, due to the limited flexibility of nuclear and lignite plants. Our results further contribute to model development by providing quantitative insights directly from data.

Despite the impact of psychiatric disorders on clinical health, early-stage diagnosis remains a challenge. Machine learning studies have shown that classifiers tend to be overly narrow in the diagnosis prediction task. The overlap between conditions leads to high heterogeneity among participants that is not adequately captured by classification models. To address this issue, normative approaches have surged as an alternative method. By using a generative model to learn the distribution of healthy brain data patterns, we can identify the presence of pathologies as deviations or outliers from the distribution learned by the model. In particular, deep generative models showed great results as normative models to identify neurological lesions in the brain. However, unlike most neurological lesions, psychiatric disorders present subtle changes widespread in several brain regions, making these alterations challenging to identify. In this work, we evaluate the performance of transformer-based normative models to detect subtle brain changes expressed in adolescents and young adults. We trained our model on 3D MRI scans of neurotypical individuals (N=1,765). Then, we obtained the likelihood of neurotypical controls and psychiatric patients with early-stage schizophrenia from an independent dataset (N=93) from the Human Connectome Project. Using the predicted likelihood of the scans as a proxy for a normative score, we obtained an AUROC of 0.82 when assessing the difference between controls and individuals with early-stage schizophrenia. Our approach surpassed recent normative methods based on brain age and Gaussian Process, showing the promising use of deep generative models to help in individualised analyses.