Unimodality, pivotal in statistical analysis, offers insights into dataset structures and drives sophisticated analytical procedures. While unimodality's confirmation is straightforward for one-dimensional data using methods like Silverman's approach and Hartigans' dip statistic, its generalization to higher dimensions remains challenging. By extrapolating one-dimensional unimodality principles to multi-dimensional spaces through linear random projections and leveraging point-to-point distancing, our method, rooted in $\alpha$-unimodality assumptions, presents a novel multivariate unimodality test named mud-pod. Both theoretical and empirical studies confirm the efficacy of our method in unimodality assessment of multidimensional datasets as well as in estimating the number of clusters.

Parkinson's disease (PD) is a prevalent neurodegenerative disorder known for its impact on motor neurons, causing symptoms like tremors, stiffness, and gait difficulties. This study explores the potential of vocal feature alterations in PD patients as a means of early disease prediction. This research aims to predict the onset of Parkinson's disease. Utilizing a variety of advanced machine-learning algorithms, including XGBoost, LightGBM, Bagging, AdaBoost, and Support Vector Machine, among others, the study evaluates the predictive performance of these models using metrics such as accuracy, area under the curve (AUC), sensitivity, and specificity. The findings of this comprehensive analysis highlight LightGBM as the most effective model, achieving an impressive accuracy rate of 96% alongside a matching AUC of 96%. LightGBM exhibited a remarkable sensitivity of 100% and specificity of 94.43%, surpassing other machine learning algorithms in accuracy and AUC scores. Given the complexities of Parkinson's disease and its challenges in early diagnosis, this study underscores the significance of leveraging vocal biomarkers coupled with advanced machine-learning techniques for precise and timely PD detection.

Foundation models have emerged as critical components in a variety of artificial intelligence applications, and showcase significant success in natural language processing and several other domains. Meanwhile, the field of graph machine learning is witnessing a paradigm transition from shallow methods to more sophisticated deep learning approaches. The capabilities of foundation models to generalize and adapt motivate graph machine learning researchers to discuss the potential of developing a new graph learning paradigm. This paradigm envisions models that are pre-trained on extensive graph data and can be adapted for various graph tasks. Despite this burgeoning interest, there is a noticeable lack of clear definitions and systematic analyses pertaining to this new domain. To this end, this article introduces the concept of Graph Foundation Models (GFMs), and offers an exhaustive explanation of their key characteristics and underlying technologies. We proceed to classify the existing work related to GFMs into three distinct categories, based on their dependence on graph neural networks and large language models. In addition to providing a thorough review of the current state of GFMs, this article also outlooks potential avenues for future research in this rapidly evolving domain.

It has been observed that machine learning algorithms exhibit biased predictions against certain population groups. To mitigate such bias while achieving comparable accuracy, a promising approach is to introduce surrogate functions of the concerned fairness definition and solve a constrained optimization problem. However, it is intriguing in previous work that such fairness surrogate functions may yield unfair results and high instability. In this work, in order to deeply understand them, taking a widely used fairness definition--demographic parity as an example, we show that there is a surrogate-fairness gap between the fairness definition and the fairness surrogate function. Also, the theoretical analysis and experimental results about the "gap" motivate us that the fairness and stability will be affected by the points far from the decision boundary, which is the large margin points issue investigated in this paper. To address it, we propose the general sigmoid surrogate to simultaneously reduce both the surrogate-fairness gap and the variance, and offer a rigorous fairness and stability upper bound. Interestingly, the theory also provides insights into two important issues that deal with the large margin points as well as obtaining a more balanced dataset are beneficial to fairness and stability. Furthermore, we elaborate a novel and general algorithm called Balanced Surrogate, which iteratively reduces the "gap" to mitigate unfairness. Finally, we provide empirical evidence showing that our methods consistently improve fairness and stability while maintaining accuracy comparable to the baselines in three real-world datasets.

Self-supervised learning (SSL) is a powerful technique for learning robust representations from unlabeled data. By learning to remain invariant to applied data augmentations, methods such as SimCLR and MoCo are able to reach quality on par with supervised approaches. However, this invariance may be harmful to solving some downstream tasks which depend on traits affected by augmentations used during pretraining, such as color. In this paper, we propose to foster sensitivity to such characteristics in the representation space by modifying the projector network, a common component of self-supervised architectures. Specifically, we supplement the projector with information about augmentations applied to images. In order for the projector to take advantage of this auxiliary conditioning when solving the SSL task, the feature extractor learns to preserve the augmentation information in its representations. Our approach, coined Conditional Augmentation-aware Self-supervised Learning (CASSLE), is directly applicable to typical joint-embedding SSL methods regardless of their objective functions. Moreover, it does not require major changes in the network architecture or prior knowledge of downstream tasks. In addition to an analysis of sensitivity towards different data augmentations, we conduct a series of experiments, which show that CASSLE improves over various SSL methods, reaching state-of-the-art performance in multiple downstream tasks.

When visualizing a high-dimensional dataset, dimension reduction techniques are commonly employed which provide a single 2 dimensional view of the data. We describe ENS-t-SNE: an algorithm for Embedding Neighborhoods Simultaneously that generalizes the t-Stochastic Neighborhood Embedding approach. By using different viewpoints in ENS-t-SNE's 3D embedding, one can visualize different types of clusters within the same high-dimensional dataset. This enables the viewer to see and keep track of the different types of clusters, which is harder to do when providing multiple 2D embeddings, where corresponding points cannot be easily identified. We illustrate the utility of ENS-t-SNE with real-world applications and provide an extensive quantitative evaluation with datasets of different types and sizes.

This paper proposes a multiblock alternating direction method of multipliers for solving a class of multiblock nonsmooth nonconvex optimization problem with nonlinear coupling constraints. We employ a majorization minimization procedure in the update of each block of the primal variables. Subsequential and global convergence of the generated sequence to a critical point of the augmented Lagrangian are proved. We also establish iteration complexity and provide preliminary numerical results for the proposed algorithm.

Neural networks have demonstrated success in various domains, yet their performance can be significantly degraded by even a small input perturbation. Consequently, the construction of such perturbations, known as adversarial attacks, has gained significant attention, many of which fall within "white-box" scenarios where we have full access to the neural network. Existing attack algorithms, such as the projected gradient descent (PGD), commonly take the sign function on the raw gradient before updating adversarial inputs, thereby neglecting gradient magnitude information. In this paper, we present a theoretical analysis of how such sign-based update algorithm influences step-wise attack performance, as well as its caveat. We also interpret why previous attempts of directly using raw gradients failed. Based on that, we further propose a new raw gradient descent (RGD) algorithm that eliminates the use of sign. Specifically, we convert the constrained optimization problem into an unconstrained one, by introducing a new hidden variable of non-clipped perturbation that can move beyond the constraint. The effectiveness of the proposed RGD algorithm has been demonstrated extensively in experiments, outperforming PGD and other competitors in various settings, without incurring any additional computational overhead. The codes is available in https://github.com/JunjieYang97/RGD.

The variational autoencoder (VAE) typically employs a standard normal prior as a regularizer for the probabilistic latent encoder. However, the Gaussian tail often decays too quickly to effectively accommodate the encoded points, failing to preserve crucial structures hidden in the data. In this paper, we explore the use of heavy-tailed models to combat over-regularization. Drawing upon insights from information geometry, we propose $t^3$VAE, a modified VAE framework that incorporates Student's t-distributions for the prior, encoder, and decoder. This results in a joint model distribution of a power form which we argue can better fit real-world datasets. We derive a new objective by reformulating the evidence lower bound as joint optimization of KL divergence between two statistical manifolds and replacing with $\gamma$-power divergence, a natural alternative for power families. $t^3$VAE demonstrates superior generation of low-density regions when trained on heavy-tailed synthetic data. Furthermore, we show that $t^3$VAE significantly outperforms other models on CelebA and imbalanced CIFAR-100 datasets.

In this paper, we extend mean-field Langevin dynamics to minimax optimization over probability distributions for the first time with symmetric and provably convergent updates. We propose mean-field Langevin averaged gradient (MFL-AG), a single-loop algorithm that implements gradient descent ascent in the distribution spaces with a novel weighted averaging, and establish average-iterate convergence to the mixed Nash equilibrium. We also study both time and particle discretization regimes and prove a new uniform-in-time propagation of chaos result which accounts for the dependency of the particle interactions on all previous distributions. Furthermore, we propose mean-field Langevin anchored best response (MFL-ABR), a symmetric double-loop algorithm based on best response dynamics with linear last-iterate convergence. Finally, we study applications to zero-sum Markov games and conduct simulations demonstrating long-term optimality.