Clustering, informally understood as the grouping of data, is a central task in statistics and computer science with broad applications. Modern clustering algorithms originated in the work of numerical taxonomists, who developed methods to identify hierarchical structures in the classification of plant and animal species. Since then clustering has been used in disciplines such as medicine, astronomy, anthropology, economics, etc., with aims such as exploratory analysis, data summarization, the identification of salient structures in data, and information organization. The notion of a "good" or "accurate" clustering varies between fields and applications. For example, to some computer scientists, the correct clustering of a dataset is often defined as the solution to an optimization problem (think K-means) and a good algorithm either solves or approximates a solution to this problem, ideally with some guarantees [14, 31].

This work explores multi-modal inference in a high-dimensional simplified model, analytically quantifying the performance gain of multi-modal inference over that of analyzing modalities in isolation. We present the Bayes-optimal performance and weak recovery thresholds in a model where the objective is to recover the latent structures from two noisy data matrices with correlated spikes. The paper derives the approximate message passing (AMP) algorithm for this model and characterizes its performance in the high-dimensional limit via the associated state evolution. The analysis holds for a broad range of priors and noise channels, which can differ across modalities. The linearization of AMP is compared numerically to the widely used partial least squares (PLS) and canonical correlation analysis (CCA) methods, which are both observed to suffer from a sub-optimal recovery threshold.

We introduce a fairness-aware dataset for job recommendation in advertising, designed to foster research in algorithmic fairness within real-world scenarios. It was collected and prepared to comply with privacy standards and business confidentiality. An additional challenge is the lack of access to protected user attributes such as gender, for which we propose a solution to obtain a proxy estimate. Despite being anonymized and including a proxy for a sensitive attribute, our dataset preserves predictive power and maintains a realistic and challenging benchmark. This dataset addresses a significant gap in the availability of fairness-focused resources for high-impact domains like advertising -- the actual impact being having access or not to precious employment opportunities, where balancing fairness and utility is a common industrial challenge. We also explore various stages in the advertising process where unfairness can occur and introduce a method to compute a fair utility metric for the job recommendations in online systems case from a biased dataset. Experimental evaluations of bias mitigation techniques on the released dataset demonstrate potential improvements in fairness and the associated trade-offs with utility.

Heterogeneous treatment effect (HTE) estimation is vital for understanding the change of treatment effect across individuals or subgroups. Most existing HTE estimation methods focus on addressing selection bias induced by imbalanced distributions of confounders between treated and control units, but ignore distribution shifts across populations. Thereby, their applicability has been limited to the in-distribution (ID) population, which shares a similar distribution with the training dataset. In real-world applications, where population distributions are subject to continuous changes, there is an urgent need for stable HTE estimation across out-of-distribution (OOD) populations, which, however, remains an open problem. As pioneers in resolving this problem, we propose a novel Stable Balanced Representation Learning with Hierarchical-Attention Paradigm (SBRL-HAP) framework, which consists of 1) Balancing Regularizer for eliminating selection bias, 2) Independence Regularizer for addressing the distribution shift issue, 3) Hierarchical-Attention Paradigm for coordination between balance and independence. In this way, SBRL-HAP regresses counterfactual outcomes using ID data, while ensuring the resulting HTE estimation can be successfully generalized to out-of-distribution scenarios, thereby enhancing the model's applicability in real-world settings. Extensive experiments conducted on synthetic and real-world datasets demonstrate the effectiveness of our SBRL-HAP in achieving stable HTE estimation across OOD populations, with an average 10% reduction in the error metric PEHE and 11% decrease in the ATE bias, compared to the SOTA methods.

Automatic differentiation (AD) has driven recent advances in machine learning, including deep neural networks and Hamiltonian Markov Chain Monte Carlo methods. Partially observed nonlinear stochastic dynamical systems have proved resistant to AD techniques because widely used particle filter algorithms yield an estimated likelihood function that is discontinuous as a function of the model parameters. We show how to embed two existing AD particle filter methods in a theoretical framework that provides an extension to a new class of algorithms. This new class permits a bias/variance tradeoff and hence a mean squared error substantially lower than the existing algorithms. We develop likelihood maximization algorithms suited to the Monte Carlo properties of the AD gradient estimate. Our algorithms require only a differentiable simulator for the latent dynamic system; by contrast, most previous approaches to AD likelihood maximization for particle filters require access to the system's transition probabilities. Numerical results indicate that a hybrid algorithm that uses AD to refine a coarse solution from an iterated filtering algorithm show substantial improvement on current state-of-the-art methods for a challenging scientific benchmark problem.

Trustworthy prediction in Deep Neural Networks (DNNs), including Pre-trained Language Models (PLMs) is important for safety-critical applications in the real world. However, DNNs often suffer from uncertainty estimation, such as miscalibration. In particular, approaches that require multiple stochastic inference can mitigate this problem, but the expensive cost of inference makes them impractical. In this study, we propose $k$-Nearest Neighbor Uncertainty Estimation ($k$NN-UE), which is an uncertainty estimation method that uses the distances from the neighbors and label-existence ratio of neighbors. Experiments on sentiment analysis, natural language inference, and named entity recognition show that our proposed method outperforms the baselines or recent density-based methods in confidence calibration, selective prediction, and out-of-distribution detection. Moreover, our analyses indicate that introducing dimension reduction or approximate nearest neighbor search inspired by recent $k$NN-LM studies reduces the inference overhead without significantly degrading estimation performance when combined them appropriately.

Multi-variate time series forecasting is an important problem with a wide range of applications. Recent works model the relations between time-series as graphs and have shown that propagating information over the relation graph can improve time series forecasting. However, in many cases, relational information is not available or is noisy and reliable. Moreover, most works ignore the underlying uncertainty of time-series both for structure learning and deriving the forecasts resulting in the structure not capturing the uncertainty resulting in forecast distributions with poor uncertainty estimates. We tackle this challenge and introduce STOIC, that leverages stochastic correlations between time-series to learn underlying structure between time-series and to provide well-calibrated and accurate forecasts. Over a wide-range of benchmark datasets STOIC provides around 16% more accurate and 14% better-calibrated forecasts. STOIC also shows better adaptation to noise in data during inference and captures important and useful relational information in various benchmarks.

Prediction models are used to predict an outcome based on input variables. Missing data in input variables often occurs at model development and at prediction time. The missForestPredict R package proposes an adaptation of the missForest imputation algorithm that is fast, user-friendly and tailored for prediction settings. The algorithm iteratively imputes variables using random forests until a convergence criterion (unified for continuous and categorical variables and based on the out-of-bag error) is met. The imputation models are saved for each variable and iteration and can be applied later to new observations at prediction time. The missForestPredict package offers extended error monitoring, control over variables used in the imputation and custom initialization. This allows users to tailor the imputation to their specific needs. The missForestPredict algorithm is compared to mean/mode imputation, linear regression imputation, mice, k-nearest neighbours, bagging, miceRanger and IterativeImputer on eight simulated datasets with simulated missingness (48 scenarios) and eight large public datasets using different prediction models.

Tabular data is prevalent in real-world machine learning applications, and new models for supervised learning of tabular data are frequently proposed. Comparative studies assessing the performance of models typically consist of model-centric evaluation setups with overly standardized data preprocessing. This paper demonstrates that such model-centric evaluations are biased, as real-world modeling pipelines often require dataset-specific preprocessing and feature engineering. Therefore, we propose a data-centric evaluation framework. We select 10 relevant datasets from Kaggle competitions and implement expert-level preprocessing pipelines for each dataset. We conduct experiments with different preprocessing pipelines and hyperparameter optimization (HPO) regimes to quantify the impact of model selection, HPO, feature engineering, and test-time adaptation. Our main findings are: 1. After dataset-specific feature engineering, model rankings change considerably, performance differences decrease, and the importance of model selection reduces. 2. Recent models, despite their measurable progress, still significantly benefit from manual feature engineering. This holds true for both tree-based models and neural networks. 3. While tabular data is typically considered static, samples are often collected over time, and adapting to distribution shifts can be important even in supposedly static data. These insights suggest that research efforts should be directed toward a data-centric perspective, acknowledging that tabular data requires feature engineering and often exhibits temporal characteristics.

In this dissertation I would like to guide the reader to the research on dialogue but more precisely the research I have conducted during my career since my PhD thesis. Starting from modular architectures with machine learning/deep learning and reinforcement learning to end-to-end deep neural networks. Besides my work as research associate, I also present the work I have supervised in the last years. I review briefly the state of the art and highlight the open research problems on conversational agents. Afterwards, I present my contribution to Task-Oriented Dialogues (TOD), both as research associate and as the industrial supervisor of CIFRE theses. I discuss conversational QA. Particularly, I present the work of two PhD candidates Thibault Cordier and Sebastien Montella; as well as the work of the young researcher Quentin Brabant. Finally, I present the scientific project, where I discuss about Large Language Models (LLMs) for Task-Oriented Dialogue and Multimodal Task-Oriented Dialogue.