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The analysis of data such as graphs has been gaining increasing attention in the past years. This is justified by the numerous applications in which they appear. Several methods are present to predict graphs, but much fewer to quantify the uncertainty of the prediction. The present work proposes an uncertainty quantification methodology for graphs, based on conformal prediction. The method works both for graphs with the same set of nodes (labelled graphs) and graphs with no clear correspondence between the set of nodes across the observed graphs (unlabelled graphs). The unlabelled case is dealt with the creation of prediction sets embedded in a quotient space. The proposed method does not rely on distributional assumptions, it achieves finite-sample validity, and it identifies interpretable prediction sets. To explore the features of this novel forecasting technique, we perform two simulation studies to show the methodology in both the labelled and the unlabelled case. We showcase the applicability of the method in analysing the performance of different teams during the FIFA 2018 football world championship via their player passing networks.

Stochastic gradient descent (SGD) has emerged as the quintessential method in a data scientist's toolbox. Using SGD for high-stakes applications requires, however, careful quantification of the associated uncertainty. Towards that end, in this work, we establish a high-dimensional Central Limit Theorem (CLT) for linear functionals of online SGD iterates for overparametrized least-squares regression with non-isotropic Gaussian inputs. Our result shows that a CLT holds even when the dimensionality is of order exponential in the number of iterations of the online SGD, which, to the best of our knowledge, is the first such result. In order to use the developed result in practice, we further develop an online approach for estimating the expectation and the variance terms appearing in the CLT, and establish high-probability bounds for the developed online estimator. Furthermore, we propose a two-step fully online bias-correction methodology which together with the CLT result and the variance estimation result, provides a fully online and data-driven way to numerically construct confidence intervals, thereby enabling practical high-dimensional algorithmic inference with SGD. We also extend our results to a class of single-index models, based on the Gaussian Stein's identity. We also provide numerical simulations to verify our theoretical findings in practice.

This paper tackles the problem of constructing Bezout matrices for Newton polynomials in a basis-preserving approach that operates directly with the given Newton basis, thus avoiding the need for transformation from Newton basis to monomial basis. This approach significantly reduces the computational cost and also mitigates numerical instability caused by basis transformation. For this purpose, we investigate the internal structure of Bezout matrices in Newton basis and design a basis-preserving algorithm that generates the Bezout matrix in the specified basis used to formulate the input polynomials. Furthermore, we show an application of the proposed algorithm on constructing confederate resultant matrices for Newton polynomials. Experimental results demonstrate that the proposed methods perform superior to the basis-transformation-based ones.

Age of Information (AoI) is an emerging metric used to assess the timeliness of information, gaining research interest in real-time multicast applications such as video streaming and metaverse platforms. In this paper, we consider a dynamic multicast network with energy constraints, where our objective is to minimize the expected time-average AoI through energy-constrained multicast routing and scheduling. The inherent complexity of the problem, given the NP-hardness and intertwined scheduling and routing decisions, makes existing approaches inapplicable. To address these challenges, we decompose the original problem into two subtasks, each amenable to reinforcement learning (RL) methods. Subsequently, we propose an innovative framework based on graph attention networks (GATs) to effectively capture graph information with superior generalization capabilities. To validate our framework, we conduct experiments on three datasets including a real-world dataset called AS-733, and show that our proposed scheme reduces the energy consumption by $75.7\%$ while achieving a similar AoI compared to baselines.

In the framework of solid mechanics, the task of deriving material parameters from experimental data has recently re-emerged with the progress in full-field measurement capabilities and the renewed advances of machine learning. In this context, new methods such as the virtual fields method and physics-informed neural networks have been developed as alternatives to the already established least-squares and finite element-based approaches. Moreover, model discovery problems are starting to emerge and can also be addressed in a parameter estimation framework. These developments call for a new unified perspective, which is able to cover both traditional parameter estimation methods and novel approaches in which the state variables or the model structure itself are inferred as well. Adopting concepts discussed in the inverse problems community, we distinguish between all-at-once and reduced approaches. With this general framework, we are able to structure a large portion of the literature on parameter estimation in computational mechanics - and we can identify combinations that have not yet been addressed, two of which are proposed in this paper. We also discuss statistical approaches to quantify the uncertainty related to the estimated parameters, and we propose a novel two-step procedure for identification of complex material models based on both frequentist and Bayesian principles. Finally, we illustrate and compare several of the aforementioned methods with mechanical benchmarks based on synthetic and real data.

This paper focuses on the Bregman divergence defined by the reciprocal function, called the inverse divergence. For the loss function defined by the monotonically increasing function $f$ and inverse divergence, the conditions for the statistical model and function $f$ under which the estimating equation is unbiased are clarified. Specifically, we characterize two types of statistical models, an inverse Gaussian type and a mixture of generalized inverse Gaussian type distributions, to show that the conditions for the function $f$ are different for each model. We also define Bregman divergence as a linear sum over the dimensions of the inverse divergence and extend the results to the multi-dimensional case.

Quantum machine learning (QML) continues to be an area of tremendous interest from research and industry. While QML models have been shown to be vulnerable to adversarial attacks much in the same manner as classical machine learning models, it is still largely unknown how to compare adversarial attacks on quantum versus classical models. In this paper, we show how to systematically investigate the similarities and differences in adversarial robustness of classical and quantum models using transfer attacks, perturbation patterns and Lipschitz bounds. More specifically, we focus on classification tasks on a handcrafted dataset that allows quantitative analysis for feature attribution. This enables us to get insight, both theoretically and experimentally, on the robustness of classification networks. We start by comparing typical QML model architectures such as amplitude and re-upload encoding circuits with variational parameters to a classical ConvNet architecture. Next, we introduce a classical approximation of QML circuits (originally obtained with Random Fourier Features sampling but adapted in this work to fit a trainable encoding) and evaluate this model, denoted Fourier network, in comparison to other architectures. Our findings show that this Fourier network can be seen as a "middle ground" on the quantum-classical boundary. While adversarial attacks successfully transfer across this boundary in both directions, we also show that regularization helps quantum networks to be more robust, which has direct impact on Lipschitz bounds and transfer attacks.

The fusion of causal models with deep learning introducing increasingly intricate data sets, such as the causal associations within images or between textual components, has surfaced as a focal research area. Nonetheless, the broadening of original causal concepts and theories to such complex, non-statistical data has been met with serious challenges. In response, our study proposes redefinitions of causal data into three distinct categories from the standpoint of causal structure and representation: definite data, semi-definite data, and indefinite data. Definite data chiefly pertains to statistical data used in conventional causal scenarios, while semi-definite data refers to a spectrum of data formats germane to deep learning, including time-series, images, text, and others. Indefinite data is an emergent research sphere inferred from the progression of data forms by us. To comprehensively present these three data paradigms, we elaborate on their formal definitions, differences manifested in datasets, resolution pathways, and development of research. We summarize key tasks and achievements pertaining to definite and semi-definite data from myriad research undertakings, present a roadmap for indefinite data, beginning with its current research conundrums. Lastly, we classify and scrutinize the key datasets presently utilized within these three paradigms.

Contrastive loss has been increasingly used in learning representations from multiple modalities. In the limit, the nature of the contrastive loss encourages modalities to exactly match each other in the latent space. Yet it remains an open question how the modality alignment affects the downstream task performance. In this paper, based on an information-theoretic argument, we first prove that exact modality alignment is sub-optimal in general for downstream prediction tasks. Hence we advocate that the key of better performance lies in meaningful latent modality structures instead of perfect modality alignment. To this end, we propose three general approaches to construct latent modality structures. Specifically, we design 1) a deep feature separation loss for intra-modality regularization; 2) a Brownian-bridge loss for inter-modality regularization; and 3) a geometric consistency loss for both intra- and inter-modality regularization. Extensive experiments are conducted on two popular multi-modal representation learning frameworks: the CLIP-based two-tower model and the ALBEF-based fusion model. We test our model on a variety of tasks including zero/few-shot image classification, image-text retrieval, visual question answering, visual reasoning, and visual entailment. Our method achieves consistent improvements over existing methods, demonstrating the effectiveness and generalizability of our proposed approach on latent modality structure regularization.

Classical machine learning implicitly assumes that labels of the training data are sampled from a clean distribution, which can be too restrictive for real-world scenarios. However, statistical learning-based methods may not train deep learning models robustly with these noisy labels. Therefore, it is urgent to design Label-Noise Representation Learning (LNRL) methods for robustly training deep models with noisy labels. To fully understand LNRL, we conduct a survey study. We first clarify a formal definition for LNRL from the perspective of machine learning. Then, via the lens of learning theory and empirical study, we figure out why noisy labels affect deep models' performance. Based on the theoretical guidance, we categorize different LNRL methods into three directions. Under this unified taxonomy, we provide a thorough discussion of the pros and cons of different categories. More importantly, we summarize the essential components of robust LNRL, which can spark new directions. Lastly, we propose possible research directions within LNRL, such as new datasets, instance-dependent LNRL, and adversarial LNRL. Finally, we envision potential directions beyond LNRL, such as learning with feature-noise, preference-noise, domain-noise, similarity-noise, graph-noise, and demonstration-noise.