How does the formulation of a target variable affect performance within the ML pipeline? The experiments in this study examine numeric targets that have been binarized by comparing against a threshold. We compare the predictive performance of regression models trained to predict the numeric targets vs. classifiers trained to predict their binarized counterparts. Specifically, we make this comparison at every point of a randomized hyperparameter optimization search to understand the effect of computational resource budget on the tradeoff between the two. We find that regression requires significantly more computational effort to converge upon the optimal performance, and is more sensitive to both randomness and heuristic choices in the training process. Although classification can and does benefit from systematic hyperparameter tuning and model selection, the improvements are much less than for regression. This work comprises the first systematic comparison of regression and classification within the framework of computational resource requirements. Our findings contribute to calls for greater replicability and efficiency within the ML pipeline for the sake of building more sustainable and robust AI systems.

This research delves into the reduction of machine learning model bias through Ensemble Learning. Our rigorous methodology comprehensively assesses bias across various categorical variables, ultimately revealing a pronounced gender attribute bias. The empirical evidence unveils a substantial gender-based wage prediction disparity: wages predicted for males, initially at \$902.91, significantly decrease to \$774.31 when the gender attribute is alternated to females. Notably, Kullback-Leibler divergence scores point to gender bias, with values exceeding 0.13, predominantly within tree-based models. Employing Ensemble Learning elucidates the quest for fairness and transparency. Intriguingly, our findings reveal that the stacked model aligns with individual models, confirming the resilience of model bias. This study underscores ethical considerations and advocates the implementation of hybrid models for a data-driven society marked by impartiality and inclusivity.

In deep learning, auxiliary objectives are often used to facilitate learning in situations where data is scarce, or the principal task is extremely complex. This idea is primarily inspired by the improved generalization capability induced by solving multiple tasks simultaneously, which leads to a more robust shared representation. Nevertheless, finding optimal auxiliary tasks that give rise to the desired improvement is a crucial problem that often requires hand-crafted solutions or expensive meta-learning approaches. In this paper, we propose a novel framework, dubbed Detaux, whereby a weakly supervised disentanglement procedure is used to discover new unrelated classification tasks and the associated labels that can be exploited with the principal task in any Multi-Task Learning (MTL) model. The disentanglement procedure works at a representation level, isolating a subspace related to the principal task, plus an arbitrary number of orthogonal subspaces. In the most disentangled subspaces, through a clustering procedure, we generate the additional classification tasks, and the associated labels become their representatives. Subsequently, the original data, the labels associated with the principal task, and the newly discovered ones can be fed into any MTL framework. Extensive validation on both synthetic and real data, along with various ablation studies, demonstrate promising results, revealing the potential in what has been, so far, an unexplored connection between learning disentangled representations and MTL. The code will be made publicly available upon acceptance.

The core of the performance-driven computational design is to trace the sensitivity of variations of some performance indicators to the differences between design alternatives. Therefore any argument about the utility of AI for performancebased design must necessarily discuss the representation of such differences, as explicitly as possible. The existing data models and data representations in the field of Architecture, Engineering, and Construction (AEC), such as CAD and BIM are heavily focused on geometrically representing building elements and facilitating the process of construction management. Unfortunately, the field of AEC does not currently have a structured discourse based on an explicit representation of decision variables and outcomes of interest. Specifically, the notion of design representation and the idea of data modelling for representing "what needs to be attained from buildings" is rather absent in the literature.

Finding suitable health insurance coverage can be challenging for individuals and small enterprises in the USA. The Health Insurance Exchange Public Use Files (Exchange PUFs) dataset provided by CMS offers valuable information on health and dental policies [1]. In this paper, we leverage machine learning algorithms to predict if a health insurance plan covers routine dental services for adults. By analyzing plan type, region, deductibles, out-of-pocket maximums, and copayments, we employ Logistic Regression, Decision Tree, Random Forest, Gradient Boost, Factorization Model and Support Vector Machine algorithms. Our goal is to provide a clinical strategy for individuals and families to select the most suitable insurance plan based on income and expenses.

Quantification, i.e., the task of training predictors of the class prevalence values in sets of unlabeled data items, has received increased attention in recent years. However, most quantification research has concentrated on developing algorithms for binary and multiclass problems in which the classes are not ordered. Here, we study the ordinal case, i.e., the case in which a total order is defined on the set of n>2 classes. We give three main contributions to this field. First, we create and make available two datasets for ordinal quantification (OQ) research that overcome the inadequacies of the previously available ones. Second, we experimentally compare the most important OQ algorithms proposed in the literature so far. To this end, we bring together algorithms proposed by authors from very different research fields, such as data mining and astrophysics, who were unaware of each others' developments. Third, we propose a novel class of regularized OQ algorithms, which outperforms existing algorithms in our experiments. The key to this gain in performance is that our regularization prevents ordinally implausible estimates, assuming that ordinal distributions tend to be smooth in practice. We informally verify this assumption for several real-world applications.

Probability density function estimation with weighted samples is the main foundation of all adaptive importance sampling algorithms. Classically, a target distribution is approximated either by a non-parametric model or within a parametric family. However, these models suffer from the curse of dimensionality or from their lack of flexibility. In this contribution, we suggest to use as the approximating model a distribution parameterised by a variational autoencoder. We extend the existing framework to the case of weighted samples by introducing a new objective function. The flexibility of the obtained family of distributions makes it as expressive as a non-parametric model, and despite the very high number of parameters to estimate, this family is much more efficient in high dimension than the classical Gaussian or Gaussian mixture families. Moreover, in order to add flexibility to the model and to be able to learn multimodal distributions, we consider a learnable prior distribution for the variational autoencoder latent variables. We also introduce a new pre-training procedure for the variational autoencoder to find good starting weights of the neural networks to prevent as much as possible the posterior collapse phenomenon to happen. At last, we explicit how the resulting distribution can be combined with importance sampling, and we exploit the proposed procedure in existing adaptive importance sampling algorithms to draw points from a target distribution and to estimate a rare event probability in high dimension on two multimodal problems.

Training on large-scale graphs has achieved remarkable results in graph representation learning, but its cost and storage have attracted increasing concerns. Existing graph condensation methods primarily focus on optimizing the feature matrices of condensed graphs while overlooking the impact of the structure information from the original graphs. To investigate the impact of the structure information, we conduct analysis from the spectral domain and empirically identify substantial Laplacian Energy Distribution (LED) shifts in previous works. Such shifts lead to poor performance in cross-architecture generalization and specific tasks, including anomaly detection and link prediction. In this paper, we propose a novel Structure-broadcasting Graph Dataset Distillation (SGDD) scheme for broadcasting the original structure information to the generation of the synthetic one, which explicitly prevents overlooking the original structure information. Theoretically, the synthetic graphs by SGDD are expected to have smaller LED shifts than previous works, leading to superior performance in both cross-architecture settings and specific tasks. We validate the proposed SGDD across 9 datasets and achieve state-of-the-art results on all of them: for example, on the YelpChi dataset, our approach maintains 98.6% test accuracy of training on the original graph dataset with 1,000 times saving on the scale of the graph. Moreover, we empirically evaluate there exist 17.6% ~ 31.4% reductions in LED shift crossing 9 datasets. Extensive experiments and analysis verify the effectiveness and necessity of the proposed designs. The code is available in the GitHub repository: https://github.com/RingBDStack/SGDD.

Given a set of points, clustering consists of finding a partition of a point set into $k$ clusters such that the center to which a point is assigned is as close as possible. Most commonly, centers are points themselves, which leads to the famous $k$-median and $k$-means objectives. One may also choose centers to be $j$ dimensional subspaces, which gives rise to subspace clustering. In this paper, we consider learning bounds for these problems. That is, given a set of $n$ samples $P$ drawn independently from some unknown, but fixed distribution $\mathcal{D}$, how quickly does a solution computed on $P$ converge to the optimal clustering of $\mathcal{D}$? We give several near optimal results. In particular, For center-based objectives, we show a convergence rate of $\tilde{O}\left(\sqrt{{k}/{n}}\right)$. This matches the known optimal bounds of [Fefferman, Mitter, and Narayanan, Journal of the Mathematical Society 2016] and [Bartlett, Linder, and Lugosi, IEEE Trans. Inf. Theory 1998] for $k$-means and extends it to other important objectives such as $k$-median. For subspace clustering with $j$-dimensional subspaces, we show a convergence rate of $\tilde{O}\left(\sqrt{\frac{kj^2}{n}}\right)$. These are the first provable bounds for most of these problems. For the specific case of projective clustering, which generalizes $k$-means, we show a convergence rate of $\Omega\left(\sqrt{\frac{kj}{n}}\right)$ is necessary, thereby proving that the bounds from [Fefferman, Mitter, and Narayanan, Journal of the Mathematical Society 2016] are essentially optimal.

Historical materials are abundant. Yet, piecing together how human knowledge has evolved and spread both diachronically and synchronically remains a challenge that can so far only be very selectively addressed. The vast volume of materials precludes comprehensive studies, given the restricted number of human specialists. However, as large amounts of historical materials are now available in digital form there is a promising opportunity for AI-assisted historical analysis. In this work, we take a pivotal step towards analyzing vast historical corpora by employing innovative machine learning (ML) techniques, enabling in-depth historical insights on a grand scale. Our study centers on the evolution of knowledge within the `Sacrobosco Collection' -- a digitized collection of 359 early modern printed editions of textbooks on astronomy used at European universities between 1472 and 1650 -- roughly 76,000 pages, many of which contain astronomic, computational tables. An ML based analysis of these tables helps to unveil important facets of the spatio-temporal evolution of knowledge and innovation in the field of mathematical astronomy in the period, as taught at European universities.