Counterfactual Explanations (CEs) help address the question: How can the factors that influence the prediction of a predictive model be changed to achieve a more favorable outcome from a user's perspective? Thus, they bear the potential to guide the user's interaction with AI systems since they represent easy-to-understand explanations. To be applicable, CEs need to be realistic and actionable. In the literature, various methods have been proposed to generate CEs. However, the majority of research on CEs focuses on classification problems where questions like "What should I do to get my rejected loan approved?" are raised. In practice, answering questions like "What should I do to increase my salary?" are of a more regressive nature. In this paper, we introduce a novel method to generate CEs for a pre-trained regressor by first disentangling the label-relevant from the label-irrelevant dimensions in the latent space. CEs are then generated by combining the label-irrelevant dimensions and the predefined output. The intuition behind this approach is that the ideal counterfactual search should focus on the label-irrelevant characteristics of the input and suggest changes toward target-relevant characteristics. Searching in the latent space could help achieve this goal. We show that our method maintains the characteristics of the query sample during the counterfactual search. In various experiments, we demonstrate that the proposed method is competitive based on different quality measures on image and tabular datasets in regression problem settings. It efficiently returns results closer to the original data manifold compared to three state-of-the-art methods, which is essential for realistic high-dimensional machine learning applications. Our code will be made available as an open-source package upon the publication of this work.

Optimal Transport has received much attention in Machine Learning as it allows to compare probability distributions by exploiting the geometry of the underlying space. However, in its original formulation, solving this problem suffers from a significant computational burden. Thus, a meaningful line of work consists at proposing alternatives to reduce this burden while still enjoying its properties. In this thesis, we focus on alternatives which use projections on subspaces. The main such alternative is the Sliced-Wasserstein distance, which we first propose to extend to Riemannian manifolds in order to use it in Machine Learning applications for which using such spaces has been shown to be beneficial in the recent years. We also study sliced distances between positive measures in the so-called unbalanced OT problem. Back to the original Euclidean Sliced-Wasserstein distance between probability measures, we study the dynamic of gradient flows when endowing the space with this distance in place of the usual Wasserstein distance. Then, we investigate the use of the Busemann function, a generalization of the inner product in metric spaces, in the space of probability measures. Finally, we extend the subspace detour approach to incomparable spaces using the Gromov-Wasserstein distance.

Short text clustering has been popularly studied for its significance in mining valuable insights from many short texts. In this paper, we focus on the federated short text clustering (FSTC) problem, i.e., clustering short texts that are distributed in different clients, which is a realistic problem under privacy requirements. Compared with the centralized short text clustering problem that short texts are stored on a central server, the FSTC problem has not been explored yet. To fill this gap, we propose a Federated Robust Short Text Clustering (FSTC) framework. FSTC includes two main modules, i.e., robust short text clustering module and federated cluster center aggregation module. The robust short text clustering module aims to train an effective short text clustering model with local data in each client. We innovatively combine optimal transport to generate pseudo-labels with Gaussian-uniform mixture model to ensure the reliability of the pseudo-supervised data. The federated cluster center aggregation module aims to exchange knowledge across clients without sharing local raw data in an efficient way. The server aggregates the local cluster centers from different clients and then sends the global centers back to all clients in each communication round. Our empirical studies on three short text clustering datasets demonstrate that FSTC significantly outperforms the federated short text clustering baselines.

Evaluating the value of a hypothetical target policy with only a logged dataset is important but challenging. On the one hand, it brings opportunities for safe policy improvement under high-stakes scenarios like clinical guidelines. On the other hand, such opportunities raise a need for precise off-policy evaluation (OPE). While previous work on OPE focused on improving the algorithm in value estimation, in this work, we emphasize the importance of the offline dataset, hence putting forward a data-centric framework for evaluating OPE problems. We propose DataCOPE, a data-centric framework for evaluating OPE, that answers the questions of whether and to what extent we can evaluate a target policy given a dataset. DataCOPE (1) forecasts the overall performance of OPE algorithms without access to the environment, which is especially useful before real-world deployment where evaluating OPE is impossible; (2) identifies the sub-group in the dataset where OPE can be inaccurate; (3) permits evaluations of datasets or data-collection strategies for OPE problems. Our empirical analysis of DataCOPE in the logged contextual bandit settings using healthcare datasets confirms its ability to evaluate both machine-learning and human expert policies like clinical guidelines.

Graph clustering has been popularly studied in recent years. However, most existing graph clustering methods focus on node-level clustering, i.e., grouping nodes in a single graph into clusters. In contrast, graph-level clustering, i.e., grouping multiple graphs into clusters, remains largely unexplored. Graph-level clustering is critical in a variety of real-world applications, such as, properties prediction of molecules and community analysis in social networks. However, graph-level clustering is challenging due to the insufficient discriminability of graph-level representations, and the insufficient discriminability makes deep clustering be more likely to obtain degenerate solutions (cluster collapse). To address the issue, we propose a novel deep graph-level clustering method called Uniform Deep Graph Clustering (UDGC). UDGC assigns instances evenly to different clusters and then scatters those clusters on unit hypersphere, leading to a more uniform cluster-level distribution and a slighter cluster collapse. Specifically, we first propose Augmentation-Consensus Optimal Transport (ACOT) for generating uniformly distributed and reliable pseudo labels for partitioning clusters. Then we adopt contrastive learning to scatter those clusters. Besides, we propose Center Alignment Optimal Transport (CAOT) for guiding the model to learn better parameters, which further promotes the cluster performance. Our empirical study on eight well-known datasets demonstrates that UDGC significantly outperforms the state-of-the-art models.

This study focuses on the optimization of the Big-means algorithm for clustering large-scale datasets, exploring four distinct parallelization strategies. We conducted extensive experiments to assess the computational efficiency, scalability, and clustering performance of each approach, revealing their benefits and limitations. The paper also delves into the trade-offs between computational efficiency and clustering quality, examining the impacts of various factors. Our insights provide practical guidance on selecting the best parallelization strategy based on available resources and dataset characteristics, contributing to a deeper understanding of parallelization techniques for the Big-means algorithm.

Federated learning (FL) is a popular privacy-preserving distributed training scheme, where multiple devices collaborate to train machine learning models by uploading local model updates. To improve communication efficiency, over-the-air computation (AirComp) has been applied to FL, which leverages analog modulation to harness the superposition property of radio waves such that numerous devices can upload their model updates concurrently for aggregation. However, the uplink channel noise incurs considerable model aggregation distortion, which is critically determined by the device scheduling and compromises the learned model performance. In this paper, we propose a probabilistic device scheduling framework for over-the-air FL, named PO-FL, to mitigate the negative impact of channel noise, where each device is scheduled according to a certain probability and its model update is reweighted using this probability in aggregation. We prove the unbiasedness of this aggregation scheme and demonstrate the convergence of PO-FL on both convex and non-convex loss functions. Our convergence bounds unveil that the device scheduling affects the learning performance through the communication distortion and global update variance. Based on the convergence analysis, we further develop a channel and gradient-importance aware algorithm to optimize the device scheduling probabilities in PO-FL. Extensive simulation results show that the proposed PO-FL framework with channel and gradient-importance awareness achieves faster convergence and produces better models than baseline methods.

A fundamental challenge in modern scientific research is the acquisition of gold standard data (Wang et al., 2023). These data, with their high accuracy and reliability, are essential to the validity of scientific discoveries, but obtaining them is often costly and labor-intensive. Fortunately, the advent and rapid development of machine learning (ML) has made it possible to predict outcomes using accessible covariates (He et al., 2016; LeCun et al., 2015). A prominent example is AlphaFold (Jumper et al., 2021), which uses readily available protein amino acid sequences to accurately predict protein structures that traditionally require extensive experimental efforts to determine. This ML-based approach has demonstrated its potential to substantially reduce the time and resources required to measure gold standard data (Cheng et al., 2023; Stokes et al., 2020). Despite these benefits, replacing gold standard data with ML-prediction introduces new challenges, particularly in maintaining the validity of downstream statistical analyses. The indiscriminate use of such predictions, without acknowledging their distinction from observed gold-standard data, can lead to biased results and misleading scientific conclusions (Wang et al., 2020). This issue is exemplified by the statistical analysis using imputed gene expression in the Genotype-Tissue Expression (GTEx) project.

In the context of natural disasters, human responses inevitably intertwine with natural factors. The COVID-19 pandemic, as a significant stress factor, has brought to light profound variations among different countries in terms of their adaptive dynamics in addressing the spread of infection outbreaks across different regions. This emphasizes the crucial role of cultural characteristics in natural disaster analysis. The theoretical understanding of large-scale epidemics primarily relies on mean-field kinetic models. However, conventional SIR-like models failed to fully explain the observed phenomena at the onset of the COVID-19 outbreak. These phenomena included the unexpected cessation of exponential growth, the reaching of plateaus, and the occurrence of multi-wave dynamics. In situations where an outbreak of a highly virulent and unfamiliar infection arises, it becomes crucial to respond swiftly at a non-medical level to mitigate the negative socio-economic impact. Here we present a theoretical examination of the first wave of the epidemic based on a simple SIRSS model (SIR with Social Stress). We conduct an analysis of the socio-cultural features of na\"ive population behaviors across various countries worldwide. The unique characteristics of each country/territory are encapsulated in only a few constants within our model, derived from the fitted COVID-19 statistics. These constants also reflect the societal response dynamics to the external stress factor, underscoring the importance of studying the mutual behavior of humanity and natural factors during global social disasters. Based on these distinctive characteristics of specific regions, local authorities can optimize their strategies to effectively combat epidemics until vaccines are developed.

With increasing urbanization, transportation plays an increasingly critical role in city development. The number of studies on modeling, optimization, simulation, and data analysis of transportation systems is on the rise. Many of these studies utilize transportation test networks to represent real-world transportation systems in urban areas, examining the efficacy of their proposed approaches. Each of these networks exhibits unique characteristics in their topology, making their applications distinct for various study objectives. Despite their widespread use in research, there is a lack of comprehensive study addressing the classification of these networks based on their topological characteristics. This study aims to fill this gap by employing unsupervised learning methods, particularly clustering. We present a comprehensive framework for evaluating various topological network characteristics. Additionally, we employ two dimensionality reduction techniques, namely Principal Component Analysis (PCA) and Isometric Feature Mapping (ISOMAP), to reduce overlaps of highly correlated features and enhance the interpretability of the subsequent classification results. We then utilize two clustering algorithms, K-means and HDBSCAN, to classify 14 transportation networks. The PCA method, followed by the K-means clustering approach, outperforms other alternatives with a Silhouette score of $0.510$, enabling the classification of transportation networks into five clusters. We also provide a detailed discussion on the resulting classification.