To cluster data is to separate samples into distinctive groups that should ideally have some cohesive properties. Today, numerous clustering algorithms exist, and their differences lie essentially in what can be perceived as ``cohesive properties''. Therefore, hypotheses on the nature of clusters must be set: they can be either generative or discriminative. As the last decade witnessed the impressive growth of deep clustering methods that involve neural networks to handle high-dimensional data often in a discriminative manner; we concentrate mainly on the discriminative hypotheses. In this paper, our aim is to provide an accessible historical perspective on the evolution of discriminative clustering methods and notably how the nature of assumptions of the discriminative models changed over time: from decision boundaries to invariance critics. We notably highlight how mutual information has been a historical cornerstone of the progress of (deep) discriminative clustering methods. We also show some known limitations of mutual information and how discriminative clustering methods tried to circumvent those. We then discuss the challenges that discriminative clustering faces with respect to the selection of the number of clusters. Finally, we showcase these techniques using the dedicated Python package, GemClus, that we have developed for discriminative clustering.

Time series clustering is an unsupervised learning method for classifying time series data into groups with similar behavior. It is used in applications such as healthcare, finance, economics, energy, and climate science. Several time series clustering methods have been introduced and used for over four decades. Most of them focus on measuring either Euclidean distances or association dissimilarities between time series. In this work, we propose a new dissimilarity measure called ranked Pearson correlation dissimilarity (RDPC), which combines a weighted average of a specified fraction of the largest element-wise differences with the well-known Pearson correlation dissimilarity. It is incorporated into hierarchical clustering. The performance is evaluated and compared with existing clustering algorithms. The results show that the RDPC algorithm outperforms others in complicated cases involving different seasonal patterns, trends, and peaks. Finally, we demonstrate our method by clustering a random sample of customers from a Thai electricity consumption time series dataset into seven groups with unique characteristics.

Diffusion models are the state-of-the-art tools for various generative tasks. However, estimating high-dimensional score functions makes them potentially suffer from the curse of dimensionality (CoD). This underscores the importance of better understanding and exploiting low-dimensional structure in the target distribution. In this work, we consider locality structure, which describes sparse dependencies between model components. Under locality structure, the score function is effectively low-dimensional, so that it can be estimated by a localized neural network with significantly reduced sample complexity. This motivates the localized diffusion model, where a localized score matching loss is used to train the score function within a localized hypothesis space. We prove that such localization enables diffusion models to circumvent CoD, at the price of additional localization error. Under realistic sample size scaling, we show both theoretically and numerically that a moderate localization radius can balance the statistical and localization error, leading to a better overall performance. The localized structure also facilitates parallel training of diffusion models, making it potentially more efficient for large-scale applications.

We establish that testing for the equality of two probability measures on a general separable and compact metric space is equivalent to testing for the singularity between two corresponding Gaussian measures on a suitable Reproducing Kernel Hilbert Space. The corresponding Gaussians are defined via the notion of kernel mean and covariance embedding of a probability measure. Discerning two singular Gaussians is fundamentally simpler from an information-theoretic perspective than non-parametric two-sample testing, particularly in high-dimensional settings. Our proof leverages the Feldman-Hajek criterion for singularity/equivalence of Gaussians on Hilbert spaces, and shows that discrepancies between distributions are heavily magnified through their corresponding Gaussian embeddings: at a population level, distinct probability measures lead to essentially separated Gaussian embeddings. This appears to be a new instance of the blessing of dimensionality that can be harnessed for the design of efficient inference tools in great generality.

We present and discuss applications of the category of probabilistic morphisms, initially developed in \cite{Le2023}, as well as some geometric methods to several classes of problems in statistical, machine and manifold learning which shall be, along with many other topics, considered in depth in the forthcoming book \cite{LMPT2024}.

Previous research has shown the benefit Bayesian methods can bring to certain problems within deep learning Gal et al. (2017). However, computing the exact posterior distributions of BNNs is a difficult task as traditional methods such as Markov chain Monte Carlo (MCMC) Hastings (1970) are computationally poorly suited to exploring high dimensional spaces and dealing with large amounts of data. Parametric methods such as variational inference are better suited to these difficulties, but only give an approximation to the posterior distribution. These spaces have been found to be highly complex Izmailov et al. (2021a) and therefore variational methods often give a poor approximation of the posterior. Sequential Monte Carlo (SMC) samplers Doucet et al. (2001) are an alternative to MCMC methods which also provide an empirical estimate of the posterior distribution. SMC samplers are instantly parallelisable Varsi et al. (2021b) and therefore can take advantage of the GPU resources commonly used in machine learning to speed up the training process. MCMC methods often require a warm-up period to adapt the hyperparameters, after which the chains can be parallelised. However, the hyperparameters must remain fixed after this warm-up period to obey stationarity. This means that SMC samplers can be more flexible than 1 arXiv:2505.03797v1

Modern recommendation and search systems typically employ multi-stage ranking architectures to efficiently handle billions of candidates. The conventional approach uses distinct L1 (candidate retrieval) and L2 (re-ranking) models with different optimization objectives, introducing critical limitations including irreversible error propagation and suboptimal ranking. This paper identifies and analyzes the fundamental limitations of this decoupled paradigm and proposes LT-TTD (Listwise Transformer with Two-Tower Distillation), a novel unified architecture that bridges retrieval and ranking phases. Our approach combines the computational efficiency of two-tower models with the expressivity of transformers in a unified listwise learning framework. We provide a comprehensive theoretical analysis of our architecture and establish formal guarantees regarding error propagation mitigation, ranking quality improvements, and optimization convergence. We derive theoretical bounds showing that LT-TTD reduces the upper limit on irretrievable relevant items by a factor that depends on the knowledge distillation strength, and prove that our multi-objective optimization framework achieves a provably better global optimum than disjoint training. Additionally, we analyze the computational complexity of our approach, demonstrating that the asymptotic complexity remains within practical bounds for real-world applications. We also introduce UPQE, a novel evaluation metric specifically designed for unified ranking architectures that holistically captures retrieval quality, ranking performance, and computational efficiency.

Semiconductor manufacturing generates vast amounts of image data, crucial for defect identification and yield optimization, yet often exceeds manual inspection capabilities. Traditional clustering techniques struggle with high-dimensional, unlabeled data, limiting their effectiveness in capturing nuanced patterns. This paper introduces an advanced clustering framework that integrates deep Topological Data Analysis (TDA) with self-supervised and transfer learning techniques, offering a novel approach to unsupervised image clustering. TDA captures intrinsic topological features, while self-supervised learning extracts meaningful representations from unlabeled data, reducing reliance on labeled datasets. Transfer learning enhances the framework's adaptability and scalability, allowing fine-tuning to new datasets without retraining from scratch. Validated on synthetic and open-source semiconductor image datasets, the framework successfully identifies clusters aligned with defect patterns and process variations. This study highlights the transformative potential of combining TDA, self-supervised learning, and transfer learning, providing a scalable solution for proactive process monitoring and quality control in semiconductor manufacturing and other domains with large-scale image datasets.

Time series forecasting uses historical data to predict future trends, leveraging the relationships between past observations and available features. In this paper, we propose RAFT, a retrieval-augmented time series forecasting method to provide sufficient inductive biases and complement the model's learning capacity. When forecasting the subsequent time frames, we directly retrieve historical data candidates from the training dataset with patterns most similar to the input, and utilize the future values of these candidates alongside the inputs to obtain predictions. This simple approach augments the model's capacity by externally providing information about past patterns via retrieval modules. Our empirical evaluations on ten benchmark datasets show that RAFT consistently outperforms contemporary baselines with an average win ratio of 86%.

Multi-step manipulation tasks where robots interact with their environment and must apply process forces based on the perceived situation remain challenging to learn and prone to execution errors. Accurately simulating these tasks is also difficult. Hence, it is crucial for robust task performance to learn how to coordinate end-effector pose and applied force, monitor execution, and react to deviations. To address these challenges, we propose a learning approach that directly infers both low- and high-level task representations from user demonstrations on the real system. We developed an unsupervised task segmentation algorithm that combines intention recognition and feature clustering to infer the skills of a task. We leverage the inferred characteristic features of each skill in a novel unsupervised anomaly detection approach to identify deviations from the intended task execution. Together, these components form a comprehensive framework capable of incrementally learning task decisions and new behaviors as new situations arise. Compared to state-of-the-art learning techniques, our approach significantly reduces the required amount of training data and computational complexity while efficiently learning complex in-contact behaviors and recovery strategies. Our proposed task segmentation and anomaly detection approaches outperform state-of-the-art methods on force-based tasks evaluated on two different robotic systems.