We develop a classification algorithm for estimating posterior distributions from positive-unlabeled data, that is robust to noise in the positive labels and effective for high-dimensional data. In recent years, several algorithms have been proposed to learn from positive-unlabeled data; however, many of these contributions remain theoretical, performing poorly on real high-dimensional data that is typically contaminated with noise. We build on this previous work to develop two practical classification algorithms that explicitly model the noise in the positive labels and utilize univariate transforms built on discriminative classifiers. We prove that these univariate transforms preserve the class prior, enabling estimation in the univariate space and avoiding kernel density estimation for high-dimensional data. The theoretical development and parametric and nonparametric algorithms proposed here constitute an important step towards wide-spread use of robust classification algorithms for positive-unlabeled data.

Linear dimensionality reduction methods are commonly used to extract low-dimensional structure from high-dimensional data. However, popular methods disregard temporal structure, rendering them prone to extracting noise rather than meaningful dynamics when applied to time series data. At the same time, many successful unsupervised learning methods for temporal, sequential and spatial data extract features which are predictive of their surrounding context. Combining these approaches, we introduce Dynamical Components Analysis (DCA), a linear dimensionality reduction method which discovers a subspace of high-dimensional time series data with maximal predictive information, defined as the mutual information between the past and future. We test DCA on synthetic examples and demonstrate its superior ability to extract dynamical structure compared to commonly used linear methods. We also apply DCA to several real-world datasets, showing that the dimensions extracted by DCA are more useful than those extracted by other methods for predicting future states and decoding auxiliary variables.

Learning concepts from natural high-dimensional data (e.g., images) holds potential in building human-aligned and interpretable machine learning models. Despite its encouraging prospect, formalization and theoretical insights into this crucial task are still lacking. In this work, we formalize concepts as discrete latent causal variables that are related via a hierarchical causal model that encodes different abstraction levels of concepts embedded in high-dimensional data (e.g., a dog breed and its eye shapes in natural images). We formulate conditions to facilitate the identification of the proposed causal model, which reveals when learning such concepts from unsupervised data is possible. Our conditions permit complex causal hierarchical structures beyond latent trees and multi-level directed acyclic graphs in prior work and can handle high-dimensional, continuous observed variables, which is well-suited for unstructured data modalities such as images. We substantiate our theoretical claims with synthetic data experiments. Further, we discuss our theory's implications for understanding the underlying mechanisms of latent diffusion models and provide corresponding empirical evidence for our theoretical insights.

Recent advances in neuroscientific experimental techniques have enabled us to simultaneously record the activity of thousands of neurons across multiple brain regions. This has led to a growing need for computational tools capable of analyzing how task-relevant information is represented and communicated between several brain regions. Partial information decompositions (PIDs) have emerged as one such tool, quantifying how much unique, redundant and synergistic information two or more brain regions carry about a task-relevant message. However, computing PIDs is computationally challenging in practice, and statistical issues such as the bias and variance of estimates remain largely unexplored. In this paper, we propose a new method for efficiently computing and estimating a PID definition on multivariate Gaussian distributions. We show empirically that our method satisfies an intuitive additivity property, and recovers the ground truth in a battery of canonical examples, even at high dimensionality. We also propose and evaluate, for the first time, a method to correct the bias in PID estimates at finite sample sizes. Finally, we demonstrate that our Gaussian PID effectively characterizes inter-areal interactions in the mouse brain, revealing higher redundancy between visual areas when a stimulus is behaviorally relevant.

Approximate nearest neighbor (ANN) search is a key component in many modern machine learning pipelines; recent use cases include retrieval-augmented generation (RAG) and vector databases. Clustering-based ANN algorithms, that use score computation methods based on product quantization (PQ), are often used in industrial-scale applications due to their scalability and suitability for distributed and disk-based implementations. However, they have slower query times than the leading graph-based ANN algorithms. In this work, we propose a new supervised score computation method based on the observation that inner product approximation is a multivariate (multi-output) regression problem that can be solved efficiently by reduced-rank regression. Our experiments show that on modern high-dimensional data sets, the proposed reduced-rank regression (RRR) method is superior to PQ in both query latency and memory usage. We also introduce LoRANN, a clustering-based ANN library that leverages the proposed score computation method. LoRANN is competitive with the leading graph-based algorithms and outperforms the state-of-the-art GPU ANN methods on high-dimensional data sets.

Standard Bayesian inference algorithms are prohibitively expensive in the regime of modern large-scale data. Recent work has found that a small, weighted subset of data (a coreset) may be used in place of the full dataset during inference, taking advantage of data redundancy to reduce computational cost. However, this approach has limitations in the increasingly common setting of sensitive, high-dimensional data. Indeed, we prove that there are situations in which the Kullback-Leibler divergence between the optimal coreset and the true posterior grows with data dimension; and as coresets include a subset of the original data, they cannot be constructed in a manner that preserves individual privacy. We address both of these issues with a single unified solution, Bayesian pseudocoresets --- a small weighted collection of synthetic pseudodata---along with a variational optimization method to select both pseudodata and weights. The use of pseudodata (as opposed to the original datapoints) enables both the summarization of high-dimensional data and the differentially private summarization of sensitive data. Real and synthetic experiments on high-dimensional data demonstrate that Bayesian pseudocoresets achieve significant improvements in posterior approximation error compared to traditional coresets, and that pseudocoresets provide privacy without a significant loss in approximation quality.

We develop a classification algorithm for estimating posterior distributions from positive-unlabeled data, that is robust to noise in the positive labels and effective for high-dimensional data. In recent years, several algorithms have been proposed to learn from positive-unlabeled data; however, many of these contributions remain theoretical, performing poorly on real high-dimensional data that is typically contaminated with noise. We build on this previous work to develop two practical classification algorithms that explicitly model the noise in the positive labels and utilize univariate transforms built on discriminative classifiers. We prove that these univariate transforms preserve the class prior, enabling estimation in the univariate space and avoiding kernel density estimation for high-dimensional data. The theoretical development and parametric and nonparametric algorithms proposed here constitute an important step towards wide-spread use of robust classification algorithms for positive-unlabeled data.

Neural Information Processing Systems http://nips.cc/

We introduce a method to learn a hierarchy of successively more abstract representations of complex data based on optimizing an information-theoretic objective. Intuitively, the optimization searches for a set of latent factors that best explain the correlations in the data as measured by multivariate mutual information. The method is unsupervised, requires no model assumptions, and scales linearly with the number of variables which makes it an attractive approach for very high dimensional systems. We demonstrate that Correlation Explanation (CorEx) automatically discovers meaningful structure for data from diverse sources including personality tests, DNA, and human language.

Technological advances have spurred an increase in data complexity and dimensionality. We are now in an era in which data sets containing thousands of features are commonplace. To digest and analyze such high-dimensional data, dimension reduction techniques have been developed and advanced along with computational power. Of these techniques, nonlinear methods are most commonly employed because of their ability to construct visually interpretable embeddings. Unlike linear methods, these methods non-uniformly stretch and shrink space to create a visual impression of the high-dimensional data. Since capturing high-dimensional structures in a significantly lower number of dimensions requires drastic manipulation of space, nonlinear dimension reduction methods are known to occasionally produce false structures, especially in noisy settings. In an effort to deal with this phenomenon, we developed an interactive tool that enables analysts to better understand and diagnose their dimension reduction results. It uses various analytical plots to provide a multi-faceted perspective on results to determine legitimacy. The tool is available via an R package named DRtool.