Jakub Mareček

Adam Bosák, Andrii Kliachkin, Jana Lepšová et al.

Constrained machine learning enables fairness-aware training, physics-informed neural networks, and integration of symbolic domain knowledge into statistical models. Despite its practical importance, no general method exists for the non-convex, non-smooth, stochastic setting that arises naturally in deep learning. We propose the Stochastic Penalty-Barrier Method (SPBM), which extends classical penalty and barrier methods to this setting via exponential dual averaging, a~stabilized penalty schedule, and the Moreau envelope to handle non-smoothness. Experiments across multiple settings show that SPBM matches or outperforms existing constrained optimization baselines while incurring only linear runtime overhead compared to unconstrained Adam for up to 10,000 constraints.

Andrii Kliachkin, Jana Lepšová, Gilles Bareilles et al.

There has been a considerable interest in constrained training of deep neural networks (DNNs) recently for applications such as fairness and safety. Several toolkits have been proposed for this task, yet there is still no industry standard. We present humancompatible.train (https://github.com/humancompatible/train), an easily-extendable PyTorch-based Python package for training DNNs with stochastic constraints. We implement multiple previously unimplemented algorithms for stochastically constrained stochastic optimization. We demonstrate the toolkit use by comparing two algorithms on a deep learning task with fairness constraints.

Andrii Kliachkin, Jana Lepšová, Gilles Bareilles et al.

The ability to train Deep Neural Networks (DNNs) with constraints is instrumental in improving the fairness of modern machine-learning models. Many algorithms have been analysed in recent years, and yet there is no standard, widely accepted method for the constrained training of DNNs. In this paper, we provide a challenging benchmark of real-world large-scale fairness-constrained learning tasks, built on top of the US Census (Folktables). We point out the theoretical challenges of such tasks and review the main approaches in stochastic approximation algorithms. Finally, we demonstrate the use of the benchmark by implementing and comparing three recently proposed, but as-of-yet unimplemented, algorithms both in terms of optimization performance, and fairness improvement. We release the code of the benchmark as a Python package at https://github.com/humancompatible/train.

Jiří Němeček, Mark Kozdoba, Illia Kryvoviaz et al.

The deployment of Artificial Intelligence in high-risk domains, such as finance and healthcare, necessitates models that are both fair and transparent. While regulatory frameworks, including the EU's AI Act, mandate bias mitigation, they are deliberately vague about the definition of bias. In line with existing research, we argue that true fairness requires addressing bias at the intersections of protected groups. We propose a unified framework that leverages Mixed-Integer Optimization (MIO) to train intersectionally fair and intrinsically interpretable classifiers. We prove the equivalence of two measures of intersectional fairness (MSD and SPSF) in detecting the most unfair subgroup and empirically demonstrate that our MIO-based algorithm improves performance in finding bias. We train high-performing, interpretable classifiers that bound intersectional bias below an acceptable threshold, offering a robust solution for regulated industries and beyond.

Jiří Němeček, Mark Kozdoba, Illia Kryvoviaz et al.

Bias evaluation is fundamental to trustworthy AI, both in terms of checking data quality and in terms of checking the outputs of AI systems. In testing data quality, for example, one may study the distance of a given dataset, viewed as a distribution, to a given ground-truth reference dataset. However, classical metrics, such as the Total Variation and the Wasserstein distances, are known to have high sample complexities and, therefore, may fail to provide a meaningful distinction in many practical scenarios. In this paper, we propose a new notion of distance, the Maximum Subgroup Discrepancy (MSD). In this metric, two distributions are close if, roughly, discrepancies are low for all feature subgroups. While the number of subgroups may be exponential, we show that the sample complexity is linear in the number of features, thus making it feasible for practical applications. Moreover, we provide a practical algorithm for evaluating the distance based on Mixed-integer optimization (MIO). We also note that the proposed distance is easily interpretable, thus providing clearer paths to fixing the biases once they have been identified. Finally, we describe a natural general bias detection framework, termed MSDD distances, and show that MSD aligns well with this framework. We empirically evaluate MSD by comparing it with other metrics and by demonstrating the above properties of MSD on real-world datasets.

Nicolas M. Cuadrado A., Mohannad Takrouri, Jiří Němeček et al.

Investment planning in power utilities, such as generation and transmission expansion, requires decade-long forecasts under profound uncertainty. Forecasting of energy mix and energy use decades ahead is nontrivial. Classical approaches focus on generating a finite number of scenarios (modeled as a mixture of Diracs in statistical theory terms), which limits insight into scenario-specific volatility and hinders robust decision-making. We propose an alternative using tractable probabilistic models (TPMs), particularly sum-product networks (SPNs). These models enable exact, scalable inference of key quantities such as scenario likelihoods, marginals, and conditional probabilities, supporting robust scenario expansion and risk assessment. This framework enables direct embedding of chance-constrained optimization into investment planning, enforcing safety or reliability with prescribed confidence levels. TPMs allow both scenario analysis and volatility quantification by compactly representing high-dimensional uncertainties. We demonstrate the approach's effectiveness through a representative power system planning case study, illustrating computational and reliability advantages over traditional scenario-based models.

Gilles Bareilles, Allen Gehret, Johannes Aspman et al.

One can see deep-learning models as compositions of functions within the so-called tame geometry. In this expository note, we give an overview of some topics at the interface of tame geometry (also known as o-minimality), optimization theory, and deep learning theory and practice. To do so, we gradually introduce the concepts and tools used to build convergence guarantees for stochastic gradient descent in a general nonsmooth nonconvex, but tame, setting. This illustrates some ways in which tame geometry is a natural mathematical framework for the study of AI systems, especially within Deep Learning.

Jakub Černý, Jiří Němeček, Ivan Dovica et al.

Explanations play a variety of roles in various recommender systems, from a legally mandated afterthought, through an integral element of user experience, to a key to persuasiveness. A natural and useful form of an explanation is the Counterfactual Explanation (CE). We present a method for generating highly plausible CEs in recommender systems and evaluate it both numerically and with a user study.

Petr Ryšavý, Pavel Rytíř, Xiaoyu He et al.

In mixed graphs, there are both directed and undirected edges. An extension of acyclicity to this mixed-graph setting is known as maximally ancestral graphs. This extension is of considerable interest in causal learning in the presence of confounders. There, directed edges represent a clear direction of causality, while undirected edges represent confounding. We propose a score-based branch-and-cut algorithm for learning maximally ancestral graphs. The algorithm produces more accurate results than state-of-the-art methods, while being faster to run on small and medium-sized synthetic instances.

Vyacheslav Kungurtsev, Apaar, Aarya Khandelwal et al.

In this work, we demonstrate the Empirical Bayes approach to learning a Dynamic Bayesian Network. By starting with several point estimates of structure and weights, we can use a data-driven prior to subsequently obtain a model to quantify uncertainty. This approach uses a recent development of Generalized Variational Inference, and indicates the potential of sampling the uncertainty of a mixture of DAG structures as well as a parameter posterior.

Petr Ryšavý, Xiaoyu He, Jakub Mareček

Learning causal relationships between a set of variables is a challenging problem in computer science. Many existing artificial benchmark datasets are based on sampling from causal models and thus contain residual information that the ${R} ^2$-sortability can identify. Here, we present a benchmark for methods in causal learning using time series. The presented dataset is not ${R}^2$-sortable and is based on a real-world scenario of the Krebs cycle that is used in cells to release energy. We provide four scenarios of learning, including short and long time series, and provide guidance so that testing is unified between possible users.