Recently, through a unified gradient flow perspective of Markov chain Monte Carlo (MCMC) and variational inference (VI), particle-based variational inference methods (ParVIs) have been proposed that tend to combine the best of both worlds. While typical ParVIs such as Stein Variational Gradient Descent (SVGD) approximate the gradient flow within a reproducing kernel Hilbert space (RKHS), many attempts have been made recently to replace RKHS with more expressive function spaces, such as neural networks. While successful, these methods are mainly designed for sampling from unconstrained domains. In this paper, we offer a general solution to constrained sampling by introducing a boundary condition for the gradient flow which would confine the particles within the specific domain. This allows us to propose a new functional gradient ParVI method for constrained sampling, called constrained functional gradient flow (CFG), with provable continuous-time convergence in total variation (TV). We also present novel numerical strategies to handle the boundary integral term arising from the domain constraints. Our theory and experiments demonstrate the effectiveness of the proposed framework.

Traditional decision trees are limited by axis-orthogonal splits, which can perform poorly when true decision boundaries are oblique. While oblique decision tree methods address this limitation, they often face high computational costs, difficulties with multi-class classification, and a lack of effective feature selection. In this paper, we introduce LDATree and FoLDTree, two novel frameworks that integrate Uncorrelated Linear Discriminant Analysis (ULDA) and Forward ULDA into a decision tree structure. These methods enable efficient oblique splits, handle missing values, support feature selection, and provide both class labels and probabilities as model outputs. Through evaluations on simulated and real-world datasets, LDATree and FoLDTree consistently outperform axis-orthogonal and other oblique decision tree methods, achieving accuracy levels comparable to the random forest.

Data from individual observations can originate from various sources or modalities but are often intrinsically linked. Multimodal data integration can enrich information content compared to single-source data. Manifold alignment is a form of data integration that seeks a shared, underlying low-dimensional representation of multiple data sources that emphasizes similarities between alternative representations of the same entities. Semi-supervised manifold alignment relies on partially known correspondences between domains, either through shared features or through other known associations. In this paper, we introduce two semi-supervised manifold alignment methods. The first method, Shortest Paths on the Union of Domains (SPUD), forms a unified graph structure using known correspondences to establish graph edges. By learning inter-domain geodesic distances, SPUD creates a global, multi-domain structure. The second method, MASH (Manifold Alignment via Stochastic Hopping), learns local geometry within each domain and forms a joint diffusion operator using known correspondences to iteratively learn new inter-domain correspondences through a random-walk approach. Through the diffusion process, MASH forms a coupling matrix that links heterogeneous domains into a unified structure. We compare SPUD and MASH with existing semi-supervised manifold alignment methods and show that they outperform competing methods in aligning true correspondences and cross-domain classification. In addition, we show how these methods can be applied to transfer label information between domains.

Stein variational gradient descent (SVGD) [Liu and Wang, 2016] performs approximate Bayesian inference by representing the posterior with a set of particles. However, SVGD suffers from variance collapse, i.e. poor predictions due to underestimating uncertainty [Ba et al., 2021], even for moderately-dimensional models such as small Bayesian neural networks (BNNs). To address this issue, we generalize SVGD by letting each particle parameterize a component distribution in a mixture model. Our method, Stein Mixture Inference (SMI), optimizes a lower bound to the evidence (ELBO) and introduces user-specified guides parameterized by particles. SMI extends the Nonlinear SVGD framework [Wang and Liu, 2019] to the case of variational Bayes. SMI effectively avoids variance collapse, judging by a previously described test developed for this purpose, and performs well on standard data sets. In addition, SMI requires considerably fewer particles than SVGD to accurately estimate uncertainty for small BNNs. The synergistic combination of NSVGD, ELBO optimization and user-specified guides establishes a promising approach towards variational Bayesian inference in the case of tall and wide data.

In this work, we introduce novel information-theoretic generalization bounds using the conditional $f$-information framework, an extension of the traditional conditional mutual information (MI) framework. We provide a generic approach to derive generalization bounds via $f$-information in the supersample setting, applicable to both bounded and unbounded loss functions. Unlike previous MI-based bounds, our proof strategy does not rely on upper bounding the cumulant-generating function (CGF) in the variational formula of MI. Instead, we set the CGF or its upper bound to zero by carefully selecting the measurable function invoked in the variational formula. Although some of our techniques are partially inspired by recent advances in the coin-betting framework (e.g., Jang et al. (2023)), our results are independent of any previous findings from regret guarantees of online gambling algorithms. Additionally, our newly derived MI-based bound recovers many previous results and improves our understanding of their potential limitations. Finally, we empirically compare various $f$-information measures for generalization, demonstrating the improvement of our new bounds over the previous bounds.

We develop and analyze data subsampling techniques for Poisson regression, the standard model for count data $y\in\mathbb{N}$. In particular, we consider the Poisson generalized linear model with ID- and square root-link functions. We consider the method of coresets, which are small weighted subsets that approximate the loss function of Poisson regression up to a factor of $1\pm\varepsilon$. We show $\Omega(n)$ lower bounds against coresets for Poisson regression that continue to hold against arbitrary data reduction techniques up to logarithmic factors. By introducing a novel complexity parameter and a domain shifting approach, we show that sublinear coresets with $1\pm\varepsilon$ approximation guarantee exist when the complexity parameter is small. In particular, the dependence on the number of input points can be reduced to polylogarithmic. We show that the dependence on other input parameters can also be bounded sublinearly, though not always logarithmically. In particular, we show that the square root-link admits an $O(\log(y_{\max}))$ dependence, where $y_{\max}$ denotes the largest count presented in the data, while the ID-link requires a $\Theta(\sqrt{y_{\max}/\log(y_{\max})})$ dependence. As an auxiliary result for proving the tightness of the bound with respect to $y_{\max}$ in the case of the ID-link, we show an improved bound on the principal branch of the Lambert $W_0$ function, which may be of independent interest. We further show the limitations of our analysis when $p$th degree root-link functions for $p\geq 3$ are considered, which indicate that other analytical or computational methods would be required if such a generalization is even possible.

Hyperparameters are configuration variables controlling the behavior of machine learning algorithms. They are ubiquitous in machine learning and artificial intelligence and the choice of their values determine the effectiveness of systems based on these technologies. Manual hyperparameter search is often unsatisfactory and becomes unfeasible when the number of hyperparameters is large. Automating the search is an important step towards automating machine learning, freeing researchers and practitioners alike from the burden of finding a good set of hyperparameters by trial and error. In this survey, we present a unified treatment of hyperparameter optimization, providing the reader with examples and insights into the state-of-the-art. We cover the main families of techniques to automate hyperparameter search, often referred to as hyperparameter optimization or tuning, including random and quasi-random search, bandit-, model- and gradient- based approaches. We further discuss extensions, including online, constrained, and multi-objective formulations, touch upon connections with other fields such as meta-learning and neural architecture search, and conclude with open questions and future research directions.

Researchers in empirical machine learning recently spotlighted their fears of so-called Model Collapse. They imagined a discard workflow, where an initial generative model is trained with real data, after which the real data are discarded, and subsequently, the model generates synthetic data on which a new model is trained. They came to the conclusion that models degenerate as model-fitting generations proceed. However, other researchers considered an augment workflow, where the original real data continue to be used in each generation of training, augmented by synthetic data from models fit in all earlier generations. Empirical results on canonical datasets and learning procedures confirmed the occurrence of model collapse under the discard workflow and avoidance of model collapse under the augment workflow. Under the augment workflow, theoretical evidence also confirmed avoidance in particular instances; specifically, Gerstgrasser et al. (2024) found that for classical Linear Regression, test risk at any later generation is bounded by a moderate multiple, viz. pi-squared-over-6 of the test risk of training with the original real data alone. Some commentators questioned the generality of theoretical conclusions based on the generative model assumed in Gerstgrasser et al. (2024): could similar conclusions be reached for other task/model pairings? In this work, we demonstrate the universality of the pi-squared-over-6 augment risk bound across a large family of canonical statistical models, offering key insights into exactly why collapse happens under the discard workflow and is avoided under the augment workflow. In the process, we provide a framework that is able to accommodate a large variety of workflows (beyond discard and augment), thereby enabling an experimenter to judge the comparative merits of multiple different workflows by simulating a simple Gaussian process.

Tensor classification is gaining importance across fields, yet handling partially observed data remains challenging. In this paper, we introduce a novel approach to tensor classification with incomplete data, framed within high-dimensional tensor linear discriminant analysis. Specifically, we consider a high-dimensional tensor predictor with missing observations under the Missing Completely at Random (MCR) assumption and employ the Tensor Gaussian Mixture Model (TGMM) to capture the relationship between the tensor predictor and class label. We propose a Tensor Linear Discriminant Analysis with Missing Data (Tensor LDA-MD) algorithm, which manages high-dimensional tensor predictors with missing entries by leveraging the decomposable low-rank structure of the discriminant tensor. Our work establishes convergence rates for the estimation error of the discriminant tensor with incomplete data and minimax optimal bounds for the misclassification rate, addressing key gaps in the literature. Additionally, we derive large deviation bounds for the generalized mode-wise sample covariance matrix and its inverse, which are crucial tools in our analysis and hold independent interest. Our method demonstrates excellent performance in simulations and real data analysis, even with significant proportions of missing data.

Federated Learning (FL) shows promise in preserving privacy and enabling collaborative learning. However, most current solutions focus on private data collected from a single domain. A significant challenge arises when client data comes from diverse domains (i.e., domain shift), leading to poor performance on unseen domains. Existing Federated Domain Generalization approaches address this problem but assume each client holds data for an entire domain, limiting their practicality in real-world scenarios with domain-based heterogeneity and client sampling. To overcome this, we introduce FISC, a novel FL domain generalization paradigm that handles more complex domain distributions across clients. FISC enables learning across domains by extracting an interpolative style from local styles and employing contrastive learning. This strategy gives clients multi-domain representations and unbiased convergent targets. Empirical results on multiple datasets, including PACS, Office-Home, and IWildCam, show FISC outperforms state-of-the-art (SOTA) methods. Our method achieves accuracy improvements ranging from 3.64% to 57.22% on unseen domains. Our code is available at https://anonymous.4open.science/r/FISC-AAAI-16107.