Meta-learning has emerged as an efficient approach for constructing target models based on support sets. For example, the meta-learned embeddings enable the construction of target nearest-neighbor classifiers for specific tasks by pulling instances closer to their same-class neighbors. However, a single instance can be annotated from various latent attributes, making visually similar instances inside or across support sets have different labels and diverse relationships with others. Consequently, a uniform meta-learned strategy for inferring the target model from the support set fails to capture the instance-wise ambiguous similarity. To this end, we propose Learning to Decompose Network (LeadNet) to contextualize the meta-learned ``support-to-target'' strategy, leveraging the context of instances with one or mixed latent attributes in a support set. In particular, the comparison relationship between instances is decomposed w.r.t. multiple embedding spaces. LeadNet learns to automatically select the strategy associated with the right attribute via incorporating the change of comparison across contexts} with polysemous embeddings. We demonstrate the superiority of LeadNet in various applications, including exploring multiple views of confusing data, out-of-distribution recognition, and few-shot image classification.

We present a novel framework for learning system design based on neural feature extractors by exploiting geometric structures in feature spaces. First, we introduce the feature geometry, which unifies statistical dependence and features in the same functional space with geometric structures. By applying the feature geometry, we formulate each learning problem as solving the optimal feature approximation of the dependence component specified by the learning setting. We propose a nesting technique for designing learning algorithms to learn the optimal features from data samples, which can be applied to off-the-shelf network architectures and optimizers. To demonstrate the application of the nesting technique, we further discuss multivariate learning problems, including conditioned inference and multimodal learning, where we present the optimal features and reveal their connections to classical approaches.

In recent years, there has been a growing interest in statistical methods that exhibit robust performance under distribution changes between training and test data. While most of the related research focuses on point predictions with the squared error loss, this article turns the focus towards probabilistic predictions, which aim to comprehensively quantify the uncertainty of an outcome variable given covariates. Within a causality-inspired framework, we investigate the invariance and robustness of probabilistic predictions with respect to proper scoring rules. We show that arbitrary distribution shifts do not, in general, admit invariant and robust probabilistic predictions, in contrast to the setting of point prediction. We illustrate how to choose evaluation metrics and restrict the class of distribution shifts to allow for identifiability and invariance in the prototypical Gaussian heteroscedastic linear model. Motivated by these findings, we propose a method to yield invariant probabilistic predictions, called IPP, and study the consistency of the underlying parameters. Finally, we demonstrate the empirical performance of our proposed procedure on simulated as well as on single-cell data.

The Gaussian process (GP) is a popular statistical technique for stochastic function approximation and uncertainty quantification from data. GPs have been adopted into the realm of machine learning in the last two decades because of their superior prediction abilities, especially in data-sparse scenarios, and their inherent ability to provide robust uncertainty estimates. Even so, their performance highly depends on intricate customizations of the core methodology, which often leads to dissatisfaction among practitioners when standard setups and off-the-shelf software tools are being deployed. Arguably the most important building block of a GP is the kernel function which assumes the role of a covariance operator. Stationary kernels of the Mat\'ern class are used in the vast majority of applied studies; poor prediction performance and unrealistic uncertainty quantification are often the consequences. Non-stationary kernels show improved performance but are rarely used due to their more complicated functional form and the associated effort and expertise needed to define and tune them optimally. In this perspective, we want to help ML practitioners make sense of some of the most common forms of non-stationarity for Gaussian processes. We show a variety of kernels in action using representative datasets, carefully study their properties, and compare their performances. Based on our findings, we propose a new kernel that combines some of the identified advantages of existing kernels.

We consider the problem of predicting an individual's identity from accelerometry data collected during walking. In a previous paper we introduced an approach that transforms the accelerometry time series into an image by constructing its complete empirical autocorrelation distribution. Predictors derived by partitioning this image into grid cells were used in logistic regression to predict individuals. Here we: (1) implement machine learning methods for prediction using the grid cell-derived predictors; (2) derive inferential methods to screen for the most predictive grid cells; and (3) develop a novel multivariate functional regression model that avoids partitioning of the predictor space into cells. Prediction methods are compared on two open source data sets: (1) accelerometry data collected from $32$ individuals walking on a $1.06$ kilometer path; and (2) accelerometry data collected from six repetitions of walking on a $20$ meter path on two separate occasions at least one week apart for $153$ study participants. In the $32$-individual study, all methods achieve at least $95$% rank-1 accuracy, while in the $153$-individual study, accuracy varies from $41$% to $98$%, depending on the method and prediction task. Methods provide insights into why some individuals are easier to predict than others.

We consider the linear discriminant analysis problem in the high-dimensional settings. In this work, we propose PANDA(PivotAl liNear Discriminant Analysis), a tuning-insensitive method in the sense that it requires very little effort to tune the parameters. Moreover, we prove that PANDA achieves the optimal convergence rate in terms of both the estimation error and misclassification rate. Our theoretical results are backed up by thorough numerical studies using both simulated and real datasets. In comparison with the existing methods, we observe that our proposed PANDA yields equal or better performance, and requires substantially less effort in parameter tuning.

Deep kernel machines (DKMs) are a recently introduced kernel method with the flexibility of other deep models including deep NNs and deep Gaussian processes. DKMs work purely with kernels, never with features, and are therefore different from other methods ranging from NNs to deep kernel learning and even deep Gaussian processes, which all use features as a fundamental component. Here, we introduce convolutional DKMs, along with an efficient inter-domain inducing point approximation scheme. Further, we develop and experimentally assess a number of model variants, including 9 different types of normalisation designed for the convolutional DKMs, two likelihoods, and two different types of top-layer. The resulting models achieve around 99% test accuracy on MNIST, 92% on CIFAR-10 and 71% on CIFAR-100, despite training in only around 28 GPU hours, 1-2 orders of magnitude faster than full NNGP / NTK / Myrtle kernels, whilst achieving comparable performance.

The machine learning modeling process conventionally culminates in selecting a single model that maximizes a selected performance metric. However, this approach leads to abandoning a more profound analysis of slightly inferior models. Particularly in medical and healthcare studies, where the objective extends beyond predictions to valuable insight generation, relying solely on a single model can result in misleading or incomplete conclusions. This problem is particularly pertinent when dealing with a set of models known as $\textit{Rashomon set}$, with performance close to maximum one. Such a set can be numerous and may contain models describing the data in a different way, which calls for comprehensive analysis. This paper introduces a novel process to explore models in the Rashomon set, extending the conventional modeling approach. We propose the $\texttt{Rashomon_DETECT}$ algorithm to detect models with different behavior. It is based on recent developments in the eXplainable Artificial Intelligence (XAI) field. To quantify differences in variable effects among models, we introduce the Profile Disparity Index (PDI) based on measures from functional data analysis. To illustrate the effectiveness of our approach, we showcase its application in predicting survival among hemophagocytic lymphohistiocytosis (HLH) patients - a foundational case study. Additionally, we benchmark our approach on other medical data sets, demonstrating its versatility and utility in various contexts. If differently behaving models are detected in the Rashomon set, their combined analysis leads to more trustworthy conclusions, which is of vital importance for high-stakes applications such as medical applications.

We theoretically study the impact of differential privacy on fairness in classification. We prove that, given a class of models, popular group fairness measures are pointwise Lipschitz-continuous with respect to the parameters of the model. This result is a consequence of a more general statement on accuracy conditioned on an arbitrary event (such as membership to a sensitive group), which may be of independent interest. We use this Lipschitz property to prove a non-asymptotic bound showing that, as the number of samples increases, the fairness level of private models gets closer to the one of their non-private counterparts. This bound also highlights the importance of the confidence margin of a model on the disparate impact of differential privacy.

We report on what seems to be an intriguing connection between variable integration time and partial velocity refreshment of Ideal Hamiltonian Monte Carlo samplers, both of which can be used for reducing the dissipative behavior of the dynamics. More concretely, we show that on quadratic potentials, efficiency can be improved through these means by a $\sqrt{\kappa}$ factor in Wasserstein-2 distance, compared to classical constant integration time, fully refreshed HMC. We additionally explore the benefit of randomized integrators for simulating the Hamiltonian dynamics under higher order regularity conditions.