Fairness-Enhancing Ensemble Classification in Water Distribution Networks

As relevant examples such as the future criminal detection software [1] show, fairness of AI-based and social domain affecting decision support tools constitutes an important area of research. In this contribution, we investigate the applications of AI to socioeconomically relevant infrastructures such as those of water distribution networks (WDNs), where fairness issues have yet to gain a foothold. To establish the notion of fairness in this domain, we propose an appropriate definition of protected groups and group fairness in WDNs as an extension of existing definitions. We demonstrate that typical methods for the detection of leakages in WDNs are unfair in this sense. Further, we thus propose a remedy to increase the fairness which can be applied even to non-differentiable ensemble classification methods as used in this context.

FairGLVQ: Fairness in Partition-Based Classification

Fairness is an important objective throughout society. From the distribution of limited goods such as education, over hiring and payment, to taxes, legislation, and jurisprudence. Due to the increasing importance of machine learning approaches in all areas of daily life including those related to health, security, and equity, an increasing amount of research focuses on fair machine learning. In this work, we focus on the fairness of partition- and prototype-based models. The contribution of this work is twofold: 1) we develop a general framework for fair machine learning of partition-based models that does not depend on a specific fairness definition, and 2) we derive a fair version of learning vector quantization (LVQ) as a specific instantiation. We compare the resulting algorithm against other algorithms from the literature on theoretical and real-world data showing its practical relevance.

Challenges, Methods, Data -- a Survey of Machine Learning in Water Distribution Networks

Research on methods for planning and controlling water distribution networks gains increasing relevance as the availability of drinking water will decrease as a consequence of climate change. So far, the majority of approaches is based on hydraulics and engineering expertise. However, with the increasing availability of sensors, machine learning techniques constitute a promising tool. This work presents the main tasks in water distribution networks, discusses how they relate to machine learning and analyses how the particularities of the domain pose challenges to and can be leveraged by machine learning approaches. Besides, it provides a technical toolkit by presenting evaluation benchmarks and a structured survey of the exemplary task of leakage detection and localization.

shapiq: Shapley Interactions for Machine Learning

Originally rooted in game theory, the Shapley Value (SV) has recently become an important tool in machine learning research. Perhaps most notably, it is used for feature attribution and data valuation in explainable artificial intelligence. Shapley Interactions (SIs) naturally extend the SV and address its limitations by assigning joint contributions to groups of entities, which enhance understanding of black box machine learning models. Due to the exponential complexity of computing SVs and SIs, various methods have been proposed that exploit structural assumptions or yield probabilistic estimates given limited resources. In this work, we introduce shapiq, an open-source Python package that unifies state-of-the-art algorithms to efficiently compute SVs and any-order SIs in an application-agnostic framework. Moreover, it includes a benchmarking suite containing 11 machine learning applications of SIs with pre-computed games and ground-truth values to systematically assess computational performance across domains. For practitioners, shapiq is able to explain and visualize any-order feature interactions in predictions of models, including vision transformers, language models, as well as XGBoost and LightGBM with TreeSHAP-IQ. With shapiq, we extend shap beyond feature attributions and consolidate the application of SVs and SIs in machine learning that facilitates future research. The source code and documentation are available at https://github.com/mmschlk/shapiq.

No learning rates needed: Introducing SALSA -- Stable Armijo Line Search Adaptation

In recent studies, line search methods have been demonstrated to significantly enhance the performance of conventional stochastic gradient descent techniques across various datasets and architectures, while making an otherwise critical choice of learning rate schedule superfluous. In this paper, we identify problems of current state-of-the-art of line search methods, propose enhancements, and rigorously assess their effectiveness. Furthermore, we evaluate these methods on orders of magnitude larger datasets and more complex data domains than previously done. More specifically, we enhance the Armijo line search method by speeding up its computation and incorporating a momentum term into the Armijo criterion, making it better suited for stochastic mini-batching. Our optimization approach outperforms both the previous Armijo implementation and a tuned learning rate schedule for the Adam and SGD optimizers. Our evaluation covers a diverse range of architectures, such as Transformers, CNNs, and MLPs, as well as data domains, including NLP and image data. Our work is publicly available as a Python package, which provides a simple Pytorch optimizer.

Analyzing the Influence of Training Samples on Explanations

EXplainable AI (XAI) constitutes a popular method to analyze the reasoning of AI systems by explaining their decision-making, e.g. providing a counterfactual explanation of how to achieve recourse. However, in cases such as unexpected explanations, the user might be interested in learning about the cause of this explanation -- e.g. properties of the utilized training data that are responsible for the observed explanation. Under the umbrella of data valuation, first approaches have been proposed that estimate the influence of data samples on a given model. In this work, we take a slightly different stance, as we are interested in the influence of single samples on a model explanation rather than the model itself. Hence, we propose the novel problem of identifying training data samples that have a high influence on a given explanation (or related quantity) and investigate the particular case of differences in the cost of the recourse between protected groups. For this, we propose an algorithm that identifies such influential training samples.

A Toolbox for Supporting Research on AI in Water Distribution Networks

Drinking water is a vital resource for humanity, and thus, Water Distribution Networks (WDNs) are considered critical infrastructures in modern societies. The operation of WDNs is subject to diverse challenges such as water leakages and contamination, cyber/physical attacks, high energy consumption during pump operation, etc. With model-based methods reaching their limits due to various uncertainty sources, AI methods offer promising solutions to those challenges. In this work, we introduce a Python toolbox for complex scenario modeling \& generation such that AI researchers can easily access challenging problems from the drinking water domain. Besides providing a high-level interface for the easy generation of hydraulic and water quality scenario data, it also provides easy access to popular event detection benchmarks and an environment for developing control algorithms.

KernelSHAP-IQ: Weighted Least-Square Optimization for Shapley Interactions

The Shapley value (SV) is a prevalent approach of allocating credit to machine learning (ML) entities to understand black box ML models. Enriching such interpretations with higher-order interactions is inevitable for complex systems, where the Shapley Interaction Index (SII) is a direct axiomatic extension of the SV. While it is well-known that the SV yields an optimal approximation of any game via a weighted least square (WLS) objective, an extension of this result to SII has been a long-standing open problem, which even led to the proposal of an alternative index. In this work, we characterize higher-order SII as a solution to a WLS problem, which constructs an optimal approximation via SII and $k$-Shapley values ($k$-SII). We prove this representation for the SV and pairwise SII and give empirically validated conjectures for higher orders. As a result, we propose KernelSHAP-IQ, a direct extension of KernelSHAP for SII, and demonstrate state-of-the-art performance for feature interactions.

Automated Federated Learning via Informed Pruning

Federated learning (FL) represents a pivotal shift in machine learning (ML) as it enables collaborative training of local ML models coordinated by a central aggregator, all without the need to exchange local data. However, its application on edge devices is hindered by limited computational capabilities and data communication challenges, compounded by the inherent complexity of Deep Learning (DL) models. Model pruning is identified as a key technique for compressing DL models on devices with limited resources. Nonetheless, conventional pruning techniques typically rely on manually crafted heuristics and demand human expertise to achieve a balance between model size, speed, and accuracy, often resulting in sub-optimal solutions. In this study, we introduce an automated federated learning approach utilizing informed pruning, called AutoFLIP, which dynamically prunes and compresses DL models within both the local clients and the global server. It leverages a federated loss exploration phase to investigate model gradient behavior across diverse datasets and losses, providing insights into parameter significance. Our experiments showcase notable enhancements in scenarios with strong non-IID data, underscoring AutoFLIP's capacity to tackle computational constraints and achieve superior global convergence.

Koopman-Based Surrogate Modelling of Turbulent Rayleigh-Bénard Convection

Several related works have introduced Koopman-based Machine Learning architectures as a surrogate model for dynamical systems. These architectures aim to learn non-linear measurements (also known as observables) of the system's state that evolve by a linear operator and are, therefore, amenable to model-based linear control techniques. So far, mainly simple systems have been targeted, and Koopman architectures as reduced-order models for more complex dynamics have not been fully explored. Hence, we use a Koopman-inspired architecture called the Linear Recurrent Autoencoder Network (LRAN) for learning reduced-order dynamics in convection flows of a Rayleigh B\'enard Convection (RBC) system at different amounts of turbulence. The data is obtained from direct numerical simulations of the RBC system. A traditional fluid dynamics method, the Kernel Dynamic Mode Decomposition (KDMD), is used to compare the LRAN. For both methods, we performed hyperparameter sweeps to identify optimal settings. We used a Normalized Sum of Square Error measure for the quantitative evaluation of the models, and we also studied the model predictions qualitatively. We obtained more accurate predictions with the LRAN than with KDMD in the most turbulent setting. We conjecture that this is due to the LRAN's flexibility in learning complicated observables from data, thereby serving as a viable surrogate model for the main structure of fluid dynamics in turbulent convection settings. In contrast, KDMD was more effective in lower turbulence settings due to the repetitiveness of the convection flow. The feasibility of Koopman-based surrogate models for turbulent fluid flows opens possibilities for efficient model-based control techniques useful in a variety of industrial settings.