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Philipp Baumann

Publications and source records attributed to Philipp Baumann.

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Fast and effective algorithms for fair clustering at scale

Clustering is an unsupervised machine learning task that consists of identifying groups of similar objects. It has numerous applications and is increasingly used in fairness-sensitive domains where objects represent individuals, such as customers, employees, or students. We address a fair clustering problem in which objects belong to protected groups. The problem consists of partitioning the objects into a predefined number of clusters while attaining a user-defined target level of fairness, meaning that each protected group is sufficiently represented in each cluster. The objective is to minimize the clustering cost, defined as the sum of squared Euclidean distances between the objects and the centers of their clusters. Since clustering cost and fairness are generally in conflict, managing the trade-off between them is essential in practical applications. Existing methods provide limited control over this trade-off and either fail to scale to large datasets or, when they scale, produce low-quality solutions. We propose a general framework for fair clustering that provides precise control over the cost-fairness trade-off and introduce three heuristics based on it. The first heuristic focuses on solution quality and the flexibility to incorporate additional constraints, the second improves scalability while retaining high solution quality, and the third is designed for maximum scalability, producing solutions for instances with millions of objects in seconds. The proposed heuristics outperform existing approaches in comprehensive numerical experiments on benchmark datasets. The source code of our heuristics and instructions for reproducing the experiments are publicly available on GitHub.

cs.LG

A Fast and Effective Method for Euclidean Anticlustering: The Assignment-Based-Anticlustering Algorithm

Anticlustering is an NP-hard combinatorial optimization problem that consists of partitioning a set of objects into equal-sized groups called anticlusters such that the objects in the same anticluster are as dissimilar as possible and thereby representative of the entire set of objects. Here we study the case where the dissimilarity metric is the squared Euclidean distance between the respective feature vectors. Applications of Euclidean anticlustering include social studies, cross-validation, creating mini-batches for stochastic gradient descent, and finding balanced K-cut partitions. In particular, machine-learning applications such as mini-batch generation involve million-scale datasets and very large values of K, making scalable anticlustering algorithms essential. We propose a new algorithm, the Assignment-Based Anticlustering (ABA) algorithm, that scales to instances with millions of objects and hundreds of thousands of anticlusters within seconds to minutes, which is far beyond what existing anticlustering methods can manage. We demonstrate here, via an extensive computational study, that our algorithm outperforms existing anticlustering methods in both solution quality and running time. This is so also for anticlustering with categories. For the related problem of balanced K-cut partitioning, our algorithm is superior to the well-known METIS method. The code of our algorithm is available on GitHub.

cs.LG

An algorithm for clustering with confidence-based must-link and cannot-link constraints

We study here the semi-supervised $k$-clustering problem where information is available on whether pairs of objects are in the same or in different clusters. This information is either available with certainty or with a limited level of confidence. We introduce the PCCC (Pairwise-Confidence-Constraints-Clustering) algorithm, which iteratively assigns objects to clusters while accounting for the information provided on the pairs of objects. Our algorithm uses integer programming for the assignment of objects which allows to include relationships as hard constraints that are guaranteed to be satisfied or as soft constraints that can be violated subject to a penalty. This flexibility distinguishes our algorithm from the state-of-the-art in which all pairwise constraints are either considered hard, or all are considered soft. We developed an enhanced multi-start approach and a model-size reduction technique for the integer program that contributes to the effectiveness and the efficiency of the algorithm. Unlike existing algorithms, our algorithm scales to large-scale instances with up to 60,000 objects, 100 clusters, and millions of cannot-link constraints (which are the most challenging constraints to incorporate). We compare the PCCC algorithm with state-of-the-art approaches in an extensive computational study. Even though the PCCC algorithm is more general than the state-of-the-art approaches in its applicability, it outperforms the state-of-the-art approaches on instances with all hard or all soft constraints both in terms of runtime and various metrics of solution quality. The code of the PCCC algorithm is publicly available on GitHub.

cs.LG

A Fast and Effective Breakpoints Heuristic Algorithm for the Quadratic Knapsack Problem

The Quadratic Knapsack Problem (QKP) involves selecting a subset of elements that maximizes the sum of pairwise and singleton utilities without exceeding a given budget. The pairwise utilities are nonnegative, the singleton utilities may be positive, negative, or zero, and the node costs are nonnegative. We introduce a Breakpoints Algorithm for QKP, named QKBP, which is based on a technique proposed in \cite{Hoc09} for efficiently generating the concave envelope of the solutions to the relaxation of the problem for all values of the budget. Our approach utilizes the fact that breakpoints in the concave envelopes are optimal solutions for their respective budgets. For budgets between breakpoints, a fast greedy heuristic derives high-quality solutions from the optimal solutions of adjacent breakpoints. The QKBP algorithm is a heuristic which is highly scalable due to an efficient parametric cut procedure used to generate the concave envelope. This efficiency is further improved by a newly developed compact problem formulation. Our extensive computational study on both existing and new benchmark instances, with up to 10,000 elements, shows that while some leading algorithms perform well on a few instances, QKBP consistently delivers high-quality solutions regardless of instance size, density, or budget. Moreover, QKBP achieves these results in significantly faster running times than all leading algorithms. The source code of the QKBP algorithm, the benchmark instances, and the detailed results are publicly available on GitHub.

math.OC

deepregression: a Flexible Neural Network Framework for Semi-Structured Deep Distributional Regression

In this paper we describe the implementation of semi-structured deep distributional regression, a flexible framework to learn conditional distributions based on the combination of additive regression models and deep networks. Our implementation encompasses (1) a modular neural network building system based on the deep learning library \pkg{TensorFlow} for the fusion of various statistical and deep learning approaches, (2) an orthogonalization cell to allow for an interpretable combination of different subnetworks, as well as (3) pre-processing steps necessary to set up such models. The software package allows to define models in a user-friendly manner via a formula interface that is inspired by classical statistical model frameworks such as \pkg{mgcv}. The packages' modular design and functionality provides a unique resource for both scalable estimation of complex statistical models and the combination of approaches from deep learning and statistics. This allows for state-of-the-art predictive performance while simultaneously retaining the indispensable interpretability of classical statistical models.

stat.ML

Donor implanted Back-gates in GaAs for MBE-grown highest mobility two-dimensional electron systems

Three different elements, Silicon, Selenium, and Tellurium, are ion-implanted in Gallium arsenide to form a conducting layer that serves as a back-gate to a molecular beam epitaxy (MBE) overgrown two-dimensional electron gas (2DEG). While the heavy ion Tellurium creates too many damages in the gallium arsenide to form a conducting layer, both Silicon and Selenium show promising results combined with MBE-grown high-quality 2DEGs. Similar 2DEG mobility compared to non-implanted reference samples is achieved for both Silicon and Selenium implanted structures. Individual contacts to the back-gate are challenging. However, Silicon implanted structures, annealed before the MBE growth, result in a function back-gate, and the electron density of the 2DEG is tuned via the back-gate.

physics.app-ph