Xiangxiang Xu

Xiangxiang Xu, Lizhong Zheng

We present a novel framework for learning system design with neural feature extractors. First, we introduce the feature geometry, which unifies statistical dependence and feature representations in a function space equipped with inner products. This connection defines function-space concepts on statistical dependence, such as norms, orthogonal projection, and spectral decomposition, exhibiting clear operational meanings. In particular, we associate each learning setting with a dependence component and formulate learning tasks as finding corresponding feature approximations. We propose a nesting technique, which provides systematic algorithm designs for learning the optimal features from data samples with off-the-shelf network architectures and optimizers. We further demonstrate multivariate learning applications, including conditional inference and multimodal learning, where we present the optimal features and reveal their connections to classical approaches.

Xiangxiang Xu, Lizhong Zheng

We study kernel methods in machine learning from the perspective of feature subspace. We establish a one-to-one correspondence between feature subspaces and kernels and propose an information-theoretic measure for kernels. In particular, we construct a kernel from Hirschfeld--Gebelein--Rényi maximal correlation functions, coined the maximal correlation kernel, and demonstrate its information-theoretic optimality. We use the support vector machine (SVM) as an example to illustrate a connection between kernel methods and feature extraction approaches. We show that the kernel SVM on maximal correlation kernel achieves minimum prediction error. Finally, we interpret the Fisher kernel as a special maximal correlation kernel and establish its optimality.

J. Jon Ryu, Pavan Yeddanapudi, Xiangxiang Xu et al.

The InfoNCE objective, originally introduced for contrastive representation learning, has become a popular choice for mutual information (MI) estimation, despite its indirect connection to MI. In this paper, we demonstrate why InfoNCE should not be regarded as a valid MI estimator, and we introduce a simple modification, which we refer to as InfoNCE-anchor, for accurate MI estimation. Our modification introduces an auxiliary anchor class, enabling consistent density ratio estimation and yielding a plug-in MI estimator with significantly reduced bias. Beyond this, we generalize our framework using proper scoring rules, which recover InfoNCE-anchor as a special case when the log score is employed. This formulation unifies a broad spectrum of contrastive objectives, including NCE, InfoNCE, and $f$-divergence variants, under a single principled framework. Empirically, we find that InfoNCE-anchor with the log score achieves the most accurate MI estimates; however, in self-supervised representation learning experiments, we find that the anchor does not improve the downstream task performance. These findings corroborate that contrastive representation learning benefits not from accurate MI estimation per se, but from the learning of structured density ratios.

J. Jon Ryu, Xiangxiang Xu, H. S. Melihcan Erol et al.

Computing eigenvalue decomposition (EVD) of a given linear operator, or finding its leading eigenvalues and eigenfunctions, is a fundamental task in many machine learning and scientific computing problems. For high-dimensional eigenvalue problems, training neural networks to parameterize the eigenfunctions is considered as a promising alternative to the classical numerical linear algebra techniques. This paper proposes a new optimization framework based on the low-rank approximation characterization of a truncated singular value decomposition, accompanied by new techniques called \emph{nesting} for learning the top-$L$ singular values and singular functions in the correct order. The proposed method promotes the desired orthogonality in the learned functions implicitly and efficiently via an unconstrained optimization formulation, which is easy to solve with off-the-shelf gradient-based optimization algorithms. We demonstrate the effectiveness of the proposed optimization framework for use cases in computational physics and machine learning.

Xiangxiang Xu, Lizhong Zheng

We study the problem of learning feature representations from a pair of random variables, where we focus on the representations that are induced by their dependence. We provide sufficient and necessary conditions for such dependence induced representations, and illustrate their connections to Hirschfeld--Gebelein--Rényi (HGR) maximal correlation functions and minimal sufficient statistics. We characterize a large family of loss functions that can learn dependence induced representations, including cross entropy, hinge loss, and their regularized variants. In particular, we show that the features learned from this family can be expressed as the composition of a loss-dependent function and the maximal correlation function, which reveals a key connection between representations learned from different losses. Our development also gives a statistical interpretation of the neural collapse phenomenon observed in deep classifiers. Finally, we present the learning design based on the feature separation, which allows hyperparameter tuning during inference.

Xiangxiang Xu, Lizhong Zheng

We study a separable design for computing information measures, where the information measure is computed from learned feature representations instead of raw data. Under mild assumptions on the feature representations, we demonstrate that a class of information measures admit such separable computation, including mutual information, $f$-information, Wyner's common information, G{á}cs--K{ö}rner common information, and Tishby's information bottleneck. Our development establishes several new connections between information measures and the statistical dependence structure. The characterizations also provide theoretical guarantees of practical designs for estimating information measures through representation learning.

Xiangxiang Xu, Shao-Lun Huang

In this paper, we study a distributed learning problem constrained by constant communication bits. Specifically, we consider the distributed hypothesis testing (DHT) problem where two distributed nodes are constrained to transmit a constant number of bits to a central decoder. In such cases, we show that in order to achieve the optimal error exponents, it suffices to consider the empirical distributions of observed data sequences and encode them to the transmission bits. With such a coding strategy, we develop a geometric approach in the distribution spaces and establish an inner bound of error exponent regions. In particular, we show the optimal achievable error exponents and coding schemes for the following cases: (i) both nodes can transmit $\log_23$ bits; (ii) one of the nodes can transmit $1$ bit, and the other node is not constrained; (iii) the joint distribution of the nodes are conditionally independent given one hypothesis. Furthermore, we provide several numerical examples for illustrating the theoretical results. Our results provide theoretical guidance for designing practical distributed learning rules, and the developed approach also reveals new potentials for establishing error exponents for DHT with more general communication constraints.

Fei Ma, Xiangxiang Xu, Shao-Lun Huang et al.

Multimodal learning has achieved great successes in many scenarios. Compared with unimodal learning, it can effectively combine the information from different modalities to improve the performance of learning tasks. In reality, the multimodal data may have missing modalities due to various reasons, such as sensor failure and data transmission error. In previous works, the information of the modality-missing data has not been well exploited. To address this problem, we propose an efficient approach based on maximum likelihood estimation to incorporate the knowledge in the modality-missing data. Specifically, we design a likelihood function to characterize the conditional distribution of the modality-complete data and the modality-missing data, which is theoretically optimal. Moreover, we develop a generalized form of the softmax function to effectively implement maximum likelihood estimation in an end-to-end manner. Such training strategy guarantees the computability of our algorithm capably. Finally, we conduct a series of experiments on real-world multimodal datasets. Our results demonstrate the effectiveness of the proposed approach, even when 95% of the training data has missing modality.

Shao-Lun Huang, Xiangxiang Xu, Lizhong Zheng

In this paper, we propose an information-theoretic approach to design the functional representations to extract the hidden common structure shared by a set of random variables. The main idea is to measure the common information between the random variables by Watanabe's total correlation, and then find the hidden attributes of these random variables such that the common information is reduced the most given these attributes. We show that these attributes can be characterized by an exponential family specified by the eigen-decomposition of some pairwise joint distribution matrix. Then, we adopt the log-likelihood functions for estimating these attributes as the desired functional representations of the random variables, and show that such representations are informative to describe the common structure. Moreover, we design both the multivariate alternating conditional expectation (MACE) algorithm to compute the proposed functional representations for discrete data, and a novel neural network training approach for continuous or high-dimensional data. Furthermore, we show that our approach has deep connections to existing techniques, such as Hirschfeld-Gebelein-Rényi (HGR) maximal correlation, linear principal component analysis (PCA), and consistent functional map, which establishes insightful connections between information theory and machine learning. Finally, the performances of our algorithms are validated by numerical simulations.

Shao-Lun Huang, Xiangxiang Xu, Lizhong Zheng et al.

It is commonly believed that the hidden layers of deep neural networks (DNNs) attempt to extract informative features for learning tasks. In this paper, we formalize this intuition by showing that the features extracted by DNN coincide with the result of an optimization problem, which we call the `universal feature selection' problem, in a local analysis regime. We interpret the weights training in DNN as the projection of feature functions between feature spaces, specified by the network structure. Our formulation has direct operational meaning in terms of the performance for inference tasks, and gives interpretations to the internal computation results of DNNs. Results of numerical experiments are provided to support the analysis.

Lichen Wang, Jiaxiang Wu, Shao-Lun Huang et al.

One primary focus in multimodal feature extraction is to find the representations of individual modalities that are maximally correlated. As a well-known measure of dependence, the Hirschfeld-Gebelein-Rényi (HGR) maximal correlation becomes an appealing objective because of its operational meaning and desirable properties. However, the strict whitening constraints formalized in the HGR maximal correlation limit its application. To address this problem, this paper proposes Soft-HGR, a novel framework to extract informative features from multiple data modalities. Specifically, our framework prevents the "hard" whitening constraints, while simultaneously preserving the same feature geometry as in the HGR maximal correlation. The objective of Soft-HGR is straightforward, only involving two inner products, which guarantees the efficiency and stability in optimization. We further generalize the framework to handle more than two modalities and missing modalities. When labels are partially available, we enhance the discriminative power of the feature representations by making a semi-supervised adaptation. Empirical evaluation implies that our approach learns more informative feature mappings and is more efficient to optimize.