Contrastive learning is an efficient approach to self-supervised representation learning. Although recent studies have made progress in the theoretical understanding of contrastive learning, the investigation of how to characterize the clusters of the learned representations is still limited. In this paper, we aim to elucidate the characterization from theoretical perspectives. To this end, we consider a kernel-based contrastive learning framework termed Kernel Contrastive Learning (KCL), where kernel functions play an important role when applying our theoretical results to other frameworks. We introduce a formulation of the similarity structure of learned representations by utilizing a statistical dependency viewpoint. We investigate the theoretical properties of the kernel-based contrastive loss via this formulation. We first prove that the formulation characterizes the structure of representations learned with the kernel-based contrastive learning framework. We show a new upper bound of the classification error of a downstream task, which explains that our theory is consistent with the empirical success of contrastive learning. We also establish a generalization error bound of KCL. Finally, we show a guarantee for the generalization ability of KCL to the downstream classification task via a surrogate bound.

A Shared Nearest Neighbor (SNN) graph is a type of graph construction using shared nearest neighbor information, which is a secondary similarity measure based on the rankings induced by a primary $k$-nearest neighbor ($k$-NN) measure. SNN measures have been touted as being less prone to the curse of dimensionality than conventional distance measures, and thus methods using SNN graphs have been widely used in applications, particularly in clustering high-dimensional data sets and in finding outliers in subspaces of high dimensional data. Despite this, the theoretical study of SNN graphs and graph Laplacians remains unexplored. In this pioneering work, we make the first contribution in this direction. We show that large scale asymptotics of an SNN graph Laplacian reach a consistent continuum limit; this limit is the same as that of a $k$-NN graph Laplacian. Moreover, we show that the pointwise convergence rate of the graph Laplacian is linear with respect to $(k/n)^{1/m}$ with high probability.

In recent decades, statistical agencies, governmental institutions and central banks increasingly collect vast datasets. Practitioners and academics rely on these datasets to form forecasts about the future, efficiently tailor policies or improve decisions at the corporate level. However, this abundance of data also gives rise to the curse of dimensionality and questions related to separating signal (i.e., extracting information from important covariates) from noise (i.e., covariates which do not convey meaningful information) are key for carrying out precise inference. Fortunately, the recent literature on statistical and econometric modeling in high dimensions using regularization-based techniques offers a range of solutions (see, e.g., Carvalho et al., 2010; Bhattacharya and Dunson, 2011; Griffin and Brown, 2013; Belmonte et al., 2014; Huber et al., 2021). One key shortcoming, however, is that these models often assume linearity between a given response variable (or in general a vector of responses) and a possibly huge panel of covariates. The reason for this is simplicity in estimation and interpretation. Apart from these very general reasons, allowing for arbitrary functional relations in the conditional mean introduces substantial conceptual challenges.

Quantum kernels are considered as potential resources to illustrate benefits of quantum computing in machine learning. Considering the impact of hyperparameters on the performance of a classical machine learning model, it is imperative to identify promising hyperparameters using quantum kernel methods in order to achieve quantum advantages. In this work, we analyse and classify sentiments of textual data using a new quantum kernel based on linear and full entangled circuits as hyperparameters for controlling the correlation among words. We also find that the use of linear and full entanglement further controls the expressivity of the Quantum Support Vector Machine (QSVM). In addition, we also compare the efficiency of the proposed circuit with other quantum circuits and classical machine learning algorithms. Our results show that the proposed fully entangled circuit outperforms all other fully or linearly entangled circuits in addition to classical algorithms for most of the features. In fact, as the feature increases the efficiency of our proposed fully entangled model also increases significantly.

Regression is a statistical and mathematical technique to find the relationship between two or more variables. In this episode of the AI Today podcast hosts Kathleen Walch and Ron Schmelzer define the terms Regression and Linear Regression and explain how they relate to AI and why it's important to know about them.

Machine learning (ML) is a field of computer science that involves creating and using algorithms and statistical models to allow computers to automatically learn from data without being explicitly programmed. In other words, machine learning involves training a computer program to make predictions. Additionally, it helps to take decisions based on patterns and insights learned from large datasets. Machine learning has a wide range of applications, from image recognition and natural language processing to fraud detection and personalized marketing. Some common machine-learning techniques include linear regression, logistic regression, decision trees, random forests, support vector machines, and neural networks. Thus, enrolling in Machine Learning Course can be instrumental to your career growth.

The static optimal transport $(\mathrm{OT})$ problem between Gaussians seeks to recover an optimal map, or more generally a coupling, to morph a Gaussian into another. It has been well studied and applied to a wide variety of tasks. Here we focus on the dynamic formulation of OT, also known as the Schr\"odinger bridge (SB) problem, which has recently seen a surge of interest in machine learning due to its connections with diffusion-based generative models. In contrast to the static setting, much less is known about the dynamic setting, even for Gaussian distributions. In this paper, we provide closed-form expressions for SBs between Gaussian measures. In contrast to the static Gaussian OT problem, which can be simply reduced to studying convex programs, our framework for solving SBs requires significantly more involved tools such as Riemannian geometry and generator theory. Notably, we establish that the solutions of SBs between Gaussian measures are themselves Gaussian processes with explicit mean and covariance kernels, and thus are readily amenable for many downstream applications such as generative modeling or interpolation. To demonstrate the utility, we devise a new method for modeling the evolution of single-cell genomics data and report significantly improved numerical stability compared to existing SB-based approaches.

Data-driven offline model-based optimization (MBO) is an established practical approach to black-box computational design problems for which the true objective function is unknown and expensive to query. However, the standard approach which optimizes designs against a learned proxy model of the ground truth objective can suffer from distributional shift. Specifically, in high-dimensional design spaces where valid designs lie on a narrow manifold, the standard approach is susceptible to producing out-of-distribution, invalid designs that "fool" the learned proxy model into outputting a high value. Using an ensemble rather than a single model as the learned proxy can help mitigate distribution shift, but naive formulations for combining gradient information from the ensemble, such as minimum or mean gradient, are still suboptimal and often hampered by non-convergent behavior. In this work, we explore alternate approaches for combining gradient information from the ensemble that are robust to distribution shift without compromising optimality of the produced designs. More specifically, we explore two functions, formulated as convex optimization problems, for combining gradient information: multiple gradient descent algorithm (MGDA) and conflict-averse gradient descent (CAGrad). We evaluate these algorithms on a diverse set of five computational design tasks. We compare performance of ensemble MBO with MGDA and ensemble MBO with CAGrad with three naive baseline algorithms: (a) standard single-model MBO, (b) ensemble MBO with mean gradient, and (c) ensemble MBO with minimum gradient. Our results suggest that MGDA and CAGrad strike a desirable balance between conservatism and optimality and can help robustify data-driven offline MBO without compromising optimality of designs.

This paper provides a comprehensive tutorial for Bayesian practitioners in pharmacometrics using Pumas workflows. We start by giving a brief motivation of Bayesian inference for pharmacometrics highlighting limitations in existing software that Pumas addresses. We then follow by a description of all the steps of a standard Bayesian workflow for pharmacometrics using code snippets and examples. This includes: model definition, prior selection, sampling from the posterior, prior and posterior simulations and predictions, counter-factual simulations and predictions, convergence diagnostics, visual predictive checks, and finally model comparison with cross-validation. Finally, the background and intuition behind many advanced concepts in Bayesian statistics are explained in simple language. This includes many important ideas and precautions that users need to keep in mind when performing Bayesian analysis. Many of the algorithms, codes, and ideas presented in this paper are highly applicable to clinical research and statistical learning at large but we chose to focus our discussions on pharmacometrics in this paper to have a narrower scope in mind and given the nature of Pumas as a software primarily for pharmacometricians.

A wireless federated learning system is investigated by allowing a server and workers to exchange uncoded information via orthogonal wireless channels. Since the workers frequently upload local gradients to the server via bandwidth-limited channels, the uplink transmission from the workers to the server becomes a communication bottleneck. Therefore, a one-shot distributed principle component analysis (PCA) is leveraged to reduce the dimension of uploaded gradients such that the communication bottleneck is relieved. A PCA-based wireless federated learning (PCA-WFL) algorithm and its accelerated version (i.e., PCA-AWFL) are proposed based on the low-dimensional gradients and the Nesterov's momentum. For the non-convex loss functions, a finite-time analysis is performed to quantify the impacts of system hyper-parameters on the convergence of the PCA-WFL and PCA-AWFL algorithms. The PCA-AWFL algorithm is theoretically certified to converge faster than the PCA-WFL algorithm. Besides, the convergence rates of PCA-WFL and PCA-AWFL algorithms quantitatively reveal the linear speedup with respect to the number of workers over the vanilla gradient descent algorithm. Numerical results are used to demonstrate the improved convergence rates of the proposed PCA-WFL and PCA-AWFL algorithms over the benchmarks.