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Shujian Yu

Shujian Yu contributes to research discovery and scholarly infrastructure.

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Published work

21 published item(s)

preprint2026arXiv

Isolating Nonlinear Independent Sources in fMRI with $β$-TCVAE Models

Learning meaningful latent representations from nonlinear fMRI data remains a fundamental challenge in neuroimaging analysis. Traditional independent component analysis, widely used due to its ability to estimate interpretable functional brain networks, relies on a linear mixing assumption for latent sources, limiting its ability to capture the inherently nonlinear and complex organization of brain dynamics. More recently, deep representation learning methods have emerged as promising alternatives for modeling nonlinear latent structure. However, many of these approaches have been evaluated primarily on simulated datasets or natural image benchmarks, with comparatively limited validation on real-world neuroimaging data such as fMRI. In this work, we are motivated by the $β$-TCVAE (Total Correlation Variational Autoencoder), a refinement of the $β$-VAE framework for learning latent representations without introducing additional hyperparameters during training. We adapt and modify this model to fMRI data for nonlinear source disentanglement, aiming to separate mixed spatial and temporal brain signals into interpretable components. We show that the $β$-TCVAE framework can recover meaningful nonlinear spatial components with biological relevance, including well-established intrinsic connectivity networks such as the default mode network. Furthermore, we evaluate the learned representations using functional network connectivity, showing that the latent structure captures coherent and interpretable brain organization patterns. This study provides a pilot investigation that bridges nonlinear representation learning and fMRI analysis.

preprint2025arXiv

Deep Deterministic Nonlinear ICA via Total Correlation Minimization with Matrix-Based Entropy Functional

Blind source separation, particularly through independent component analysis (ICA), is widely utilized across various signal processing domains for disentangling underlying components from observed mixed signals, owing to its fully data-driven nature that minimizes reliance on prior assumptions. However, conventional ICA methods rely on an assumption of linear mixing, limiting their ability to capture complex nonlinear relationships and to maintain robustness in noisy environments. In this work, we present deep deterministic nonlinear independent component analysis (DDICA), a novel deep neural network-based framework designed to address these limitations. DDICA leverages a matrix-based entropy function to directly optimize the independence criterion via stochastic gradient descent, bypassing the need for variational approximations or adversarial schemes. This results in a streamlined training process and improved resilience to noise. We validated the effectiveness and generalizability of DDICA across a range of applications, including simulated signal mixtures, hyperspectral image unmixing, modeling of primary visual receptive fields, and resting-state functional magnetic resonance imaging (fMRI) data analysis. Experimental results demonstrate that DDICA effectively separates independent components with high accuracy across a range of applications. These findings suggest that DDICA offers a robust and versatile solution for blind source separation in diverse signal processing tasks.

preprint2023arXiv

Causal Recurrent Variational Autoencoder for Medical Time Series Generation

We propose causal recurrent variational autoencoder (CR-VAE), a novel generative model that is able to learn a Granger causal graph from a multivariate time series x and incorporates the underlying causal mechanism into its data generation process. Distinct to the classical recurrent VAEs, our CR-VAE uses a multi-head decoder, in which the $p$-th head is responsible for generating the $p$-th dimension of $\mathbf{x}$ (i.e., $\mathbf{x}^p$). By imposing a sparsity-inducing penalty on the weights (of the decoder) and encouraging specific sets of weights to be zero, our CR-VAE learns a sparse adjacency matrix that encodes causal relations between all pairs of variables. Thanks to this causal matrix, our decoder strictly obeys the underlying principles of Granger causality, thereby making the data generating process transparent. We develop a two-stage approach to train the overall objective. Empirically, we evaluate the behavior of our model in synthetic data and two real-world human brain datasets involving, respectively, the electroencephalography (EEG) signals and the functional magnetic resonance imaging (fMRI) data. Our model consistently outperforms state-of-the-art time series generative models both qualitatively and quantitatively. Moreover, it also discovers a faithful causal graph with similar or improved accuracy over existing Granger causality-based causal inference methods. Code of CR-VAE is publicly available at https://github.com/hongmingli1995/CR-VAE.

preprint2023arXiv

Computationally Efficient Approximations for Matrix-based Renyi's Entropy

The recently developed matrix based Renyi's entropy enables measurement of information in data simply using the eigenspectrum of symmetric positive semi definite (PSD) matrices in reproducing kernel Hilbert space, without estimation of the underlying data distribution. This intriguing property makes the new information measurement widely adopted in multiple statistical inference and learning tasks. However, the computation of such quantity involves the trace operator on a PSD matrix $G$ to power $α$(i.e., $tr(G^α)$), with a normal complexity of nearly $O(n^3)$, which severely hampers its practical usage when the number of samples (i.e., $n$) is large. In this work, we present computationally efficient approximations to this new entropy functional that can reduce its complexity to even significantly less than $O(n^2)$. To this end, we leverage the recent progress on Randomized Numerical Linear Algebra, developing Taylor, Chebyshev and Lanczos approximations to $tr(G^α)$ for arbitrary values of $α$ by converting it into matrix-vector multiplications problem. We also establish the connection between the matrix-based Renyi's entropy and PSD matrix approximation, which enables exploiting both clustering and block low-rank structure of $G$ to further reduce the computational cost. We theoretically provide approximation accuracy guarantees and illustrate the properties of different approximations. Large-scale experimental evaluations on both synthetic and real-world data corroborate our theoretical findings, showing promising speedup with negligible loss in accuracy.

preprint2022arXiv

Deep Deterministic Independent Component Analysis for Hyperspectral Unmixing

We develop a new neural network based independent component analysis (ICA) method by directly minimizing the dependence amongst all extracted components. Using the matrix-based R{é}nyi's $α$-order entropy functional, our network can be directly optimized by stochastic gradient descent (SGD), without any variational approximation or adversarial training. As a solid application, we evaluate our ICA in the problem of hyperspectral unmixing (HU) and refute a statement that "\emph{ICA does not play a role in unmixing hyperspectral data}", which was initially suggested by \cite{nascimento2005does}. Code and additional remarks of our DDICA is available at https://github.com/hongmingli1995/DDICA.

preprint2022arXiv

Information Theoretic Structured Generative Modeling

Rényi's information provides a theoretical foundation for tractable and data-efficient non-parametric density estimation, based on pair-wise evaluations in a reproducing kernel Hilbert space (RKHS). This paper extends this framework to parametric probabilistic modeling, motivated by the fact that Rényi's information can be estimated in closed-form for Gaussian mixtures. Based on this special connection, a novel generative model framework called the structured generative model (SGM) is proposed that makes straightforward optimization possible, because costs are scale-invariant, avoiding high gradient variance while imposing less restrictions on absolute continuity, which is a huge advantage in parametric information theoretic optimization. The implementation employs a single neural network driven by an orthonormal input appended to a single white noise source adapted to learn an infinite Gaussian mixture model (IMoG), which provides an empirically tractable model distribution in low dimensions. To train SGM, we provide three novel variational cost functions, based on Rényi's second-order entropy and divergence, to implement minimization of cross-entropy, minimization of variational representations of $f$-divergence, and maximization of the evidence lower bound (conditional probability). We test the framework for estimation of mutual information and compare the results with the mutual information neural estimation (MINE), for density estimation, for conditional probability estimation in Markov models as well as for training adversarial networks. Our preliminary results show that SGM significantly improves MINE estimation in terms of data efficiency and variance, conventional and variational Gaussian mixture models, as well as the performance of generative adversarial networks.

preprint2022arXiv

Learning to Transfer with von Neumann Conditional Divergence

The similarity of feature representations plays a pivotal role in the success of problems related to domain adaptation. Feature similarity includes both the invariance of marginal distributions and the closeness of conditional distributions given the desired response $y$ (e.g., class labels). Unfortunately, traditional methods always learn such features without fully taking into consideration the information in $y$, which in turn may lead to a mismatch of the conditional distributions or the mix-up of discriminative structures underlying data distributions. In this work, we introduce the recently proposed von Neumann conditional divergence to improve the transferability across multiple domains. We show that this new divergence is differentiable and eligible to easily quantify the functional dependence between features and $y$. Given multiple source tasks, we integrate this divergence to capture discriminative information in $y$ and design novel learning objectives assuming those source tasks are observed either simultaneously or sequentially. In both scenarios, we obtain favorable performance against state-of-the-art methods in terms of smaller generalization error on new tasks and less catastrophic forgetting on source tasks (in the sequential setup).

preprint2022arXiv

Multi-view Information Bottleneck Without Variational Approximation

By "intelligently" fusing the complementary information across different views, multi-view learning is able to improve the performance of classification tasks. In this work, we extend the information bottleneck principle to a supervised multi-view learning scenario and use the recently proposed matrix-based R{é}nyi's $α$-order entropy functional to optimize the resulting objective directly, without the necessity of variational approximation or adversarial training. Empirical results in both synthetic and real-world datasets suggest that our method enjoys improved robustness to noise and redundant information in each view, especially given limited training samples. Code is available at~\url{https://github.com/archy666/MEIB}.

preprint2022arXiv

Optimal Randomized Approximations for Matrix based Renyi's Entropy

The Matrix-based Renyi's entropy enables us to directly measure information quantities from given data without the costly probability density estimation of underlying distributions, thus has been widely adopted in numerous statistical learning and inference tasks. However, exactly calculating this new information quantity requires access to the eigenspectrum of a semi-positive definite (SPD) matrix $A$ which grows linearly with the number of samples $n$, resulting in a $O(n^3)$ time complexity that is prohibitive for large-scale applications. To address this issue, this paper takes advantage of stochastic trace approximations for matrix-based Renyi's entropy with arbitrary $α\in R^+$ orders, lowering the complexity by converting the entropy approximation to a matrix-vector multiplication problem. Specifically, we develop random approximations for integer order $α$ cases and polynomial series approximations (Taylor and Chebyshev) for non-integer $α$ cases, leading to a $O(n^2sm)$ overall time complexity, where $s,m \ll n$ denote the number of vector queries and the polynomial order respectively. We theoretically establish statistical guarantees for all approximation algorithms and give explicit order of s and m with respect to the approximation error $\varepsilon$, showing optimal convergence rate for both parameters up to a logarithmic factor. Large-scale simulations and real-world applications validate the effectiveness of the developed approximations, demonstrating remarkable speedup with negligible loss in accuracy.

preprint2022arXiv

Principle of Relevant Information for Graph Sparsification

Graph sparsification aims to reduce the number of edges of a graph while maintaining its structural properties. In this paper, we propose the first general and effective information-theoretic formulation of graph sparsification, by taking inspiration from the Principle of Relevant Information (PRI). To this end, we extend the PRI from a standard scalar random variable setting to structured data (i.e., graphs). Our Graph-PRI objective is achieved by operating on the graph Laplacian, made possible by expressing the graph Laplacian of a subgraph in terms of a sparse edge selection vector $\mathbf{w}$. We provide both theoretical and empirical justifications on the validity of our Graph-PRI approach. We also analyze its analytical solutions in a few special cases. We finally present three representative real-world applications, namely graph sparsification, graph regularized multi-task learning, and medical imaging-derived brain network classification, to demonstrate the effectiveness, the versatility and the enhanced interpretability of our approach over prevalent sparsification techniques. Code of Graph-PRI is available at https://github.com/SJYuCNEL/PRI-Graphs

preprint2022arXiv

R2-Trans:Fine-Grained Visual Categorization with Redundancy Reduction

Fine-grained visual categorization (FGVC) aims to discriminate similar subcategories, whose main challenge is the large intraclass diversities and subtle inter-class differences. Existing FGVC methods usually select discriminant regions found by a trained model, which is prone to neglect other potential discriminant information. On the other hand, the massive interactions between the sequence of image patches in ViT make the resulting class-token contain lots of redundant information, which may also impacts FGVC performance. In this paper, we present a novel approach for FGVC, which can simultaneously make use of partial yet sufficient discriminative information in environmental cues and also compress the redundant information in class-token with respect to the target. Specifically, our model calculates the ratio of high-weight regions in a batch, adaptively adjusts the masking threshold and achieves moderate extraction of background information in the input space. Moreover, we also use the Information Bottleneck~(IB) approach to guide our network to learn a minimum sufficient representations in the feature space. Experimental results on three widely-used benchmark datasets verify that our approach can achieve outperforming performance than other state-of-the-art approaches and baseline models.

preprint2021arXiv

Deep Deterministic Information Bottleneck with Matrix-based Entropy Functional

We introduce the matrix-based Renyi's $α$-order entropy functional to parameterize Tishby et al. information bottleneck (IB) principle with a neural network. We term our methodology Deep Deterministic Information Bottleneck (DIB), as it avoids variational inference and distribution assumption. We show that deep neural networks trained with DIB outperform the variational objective counterpart and those that are trained with other forms of regularization, in terms of generalization performance and robustness to adversarial attack.Code available at https://github.com/yuxi120407/DIB

preprint2021arXiv

Interpretable Fault Detection using Projections of Mutual Information Matrix

This paper presents a novel mutual information (MI) matrix based method for fault detection. Given a $m$-dimensional fault process, the MI matrix is a $m \times m$ matrix in which the $(i,j)$-th entry measures the MI values between the $i$-th dimension and the $j$-th dimension variables. We introduce the recently proposed matrix-based Rényi's $α$-entropy functional to estimate MI values in each entry of the MI matrix. The new estimator avoids density estimation and it operates on the eigenspectrum of a (normalized) symmetric positive definite (SPD) matrix, which makes it well suited for industrial process. We combine different orders of statistics of the transformed components (TCs) extracted from the MI matrix to constitute the detection index, and derive a simple similarity index to monitor the changes of characteristics of the underlying process in consecutive windows. We term the overall methodology "projections of mutual information matrix" (PMIM). Experiments on both synthetic data and the benchmark Tennessee Eastman process demonstrate the interpretability of PMIM in identifying the root variables that cause the faults, and its superiority in detecting the occurrence of faults in terms of the improved fault detection rate (FDR) and the lowest false alarm rate (FAR). The advantages of PMIM is also less sensitive to hyper-parameters. The advantages of PMIM is also less sensitive to hyper-parameters. Code of PMIM is available at https://github.com/SJYuCNEL/Fault_detection_PMIM

preprint2021arXiv

Measuring Dependence with Matrix-based Entropy Functional

Measuring the dependence of data plays a central role in statistics and machine learning. In this work, we summarize and generalize the main idea of existing information-theoretic dependence measures into a higher-level perspective by the Shearer's inequality. Based on our generalization, we then propose two measures, namely the matrix-based normalized total correlation ($T_α^*$) and the matrix-based normalized dual total correlation ($D_α^*$), to quantify the dependence of multiple variables in arbitrary dimensional space, without explicit estimation of the underlying data distributions. We show that our measures are differentiable and statistically more powerful than prevalent ones. We also show the impact of our measures in four different machine learning problems, namely the gene regulatory network inference, the robust machine learning under covariate shift and non-Gaussian noises, the subspace outlier detection, and the understanding of the learning dynamics of convolutional neural networks (CNNs), to demonstrate their utilities, advantages, as well as implications to those problems. Code of our dependence measure is available at: https://bit.ly/AAAI-dependence

preprint2021arXiv

Modular-Relatedness for Continual Learning

In this paper, we propose a continual learning (CL) technique that is beneficial to sequential task learners by improving their retained accuracy and reducing catastrophic forgetting. The principal target of our approach is the automatic extraction of modular parts of the neural network and then estimating the relatedness between the tasks given these modular components. This technique is applicable to different families of CL methods such as regularization-based (e.g., the Elastic Weight Consolidation) or the rehearsal-based (e.g., the Gradient Episodic Memory) approaches where episodic memory is needed. Empirical results demonstrate remarkable performance gain (in terms of robustness to forgetting) for methods such as EWC and GEM based on our technique, especially when the memory budget is very limited.

preprint2020arXiv

Learning an Interpretable Graph Structure in Multi-Task Learning

We present a novel methodology to jointly perform multi-task learning and infer intrinsic relationship among tasks by an interpretable and sparse graph. Unlike existing multi-task learning methodologies, the graph structure is not assumed to be known a priori or estimated separately in a preprocessing step. Instead, our graph is learned simultaneously with model parameters of each task, thus it reflects the critical relationship among tasks in the specific prediction problem. We characterize graph structure with its weighted adjacency matrix and show that the overall objective can be optimized alternatively until convergence. We also show that our methodology can be simply extended to a nonlinear form by being embedded into a multi-head radial basis function network (RBFN). Extensive experiments, against six state-of-the-art methodologies, on both synthetic data and real-world applications suggest that our methodology is able to reduce generalization error, and, at the same time, reveal a sparse graph over tasks that is much easier to interpret.

preprint2020arXiv

Measuring the Discrepancy between Conditional Distributions: Methods, Properties and Applications

We propose a simple yet powerful test statistic to quantify the discrepancy between two conditional distributions. The new statistic avoids the explicit estimation of the underlying distributions in highdimensional space and it operates on the cone of symmetric positive semidefinite (SPS) matrix using the Bregman matrix divergence. Moreover, it inherits the merits of the correntropy function to explicitly incorporate high-order statistics in the data. We present the properties of our new statistic and illustrate its connections to prior art. We finally show the applications of our new statistic on three different machine learning problems, namely the multi-task learning over graphs, the concept drift detection, and the information-theoretic feature selection, to demonstrate its utility and advantage. Code of our statistic is available at https://bit.ly/BregmanCorrentropy.

preprint2020arXiv

PRI-VAE: Principle-of-Relevant-Information Variational Autoencoders

Although substantial efforts have been made to learn disentangled representations under the variational autoencoder (VAE) framework, the fundamental properties to the dynamics of learning of most VAE models still remain unknown and under-investigated. In this work, we first propose a novel learning objective, termed the principle-of-relevant-information variational autoencoder (PRI-VAE), to learn disentangled representations. We then present an information-theoretic perspective to analyze existing VAE models by inspecting the evolution of some critical information-theoretic quantities across training epochs. Our observations unveil some fundamental properties associated with VAEs. Empirical results also demonstrate the effectiveness of PRI-VAE on four benchmark data sets.

preprint2020arXiv

Towards Interpretable Multi-Task Learning Using Bilevel Programming

Interpretable Multi-Task Learning can be expressed as learning a sparse graph of the task relationship based on the prediction performance of the learned models. Since many natural phenomenon exhibit sparse structures, enforcing sparsity on learned models reveals the underlying task relationship. Moreover, different sparsification degrees from a fully connected graph uncover various types of structures, like cliques, trees, lines, clusters or fully disconnected graphs. In this paper, we propose a bilevel formulation of multi-task learning that induces sparse graphs, thus, revealing the underlying task relationships, and an efficient method for its computation. We show empirically how the induced sparse graph improves the interpretability of the learned models and their relationship on synthetic and real data, without sacrificing generalization performance. Code at https://bit.ly/GraphGuidedMTL

preprint2020arXiv

Understanding Convolutional Neural Networks with Information Theory: An Initial Exploration

The matrix-based Renyi's α-entropy functional and its multivariate extension were recently developed in terms of the normalized eigenspectrum of a Hermitian matrix of the projected data in a reproducing kernel Hilbert space (RKHS). However, the utility and possible applications of these new estimators are rather new and mostly unknown to practitioners. In this paper, we first show that our estimators enable straightforward measurement of information flow in realistic convolutional neural networks (CNN) without any approximation. Then, we introduce the partial information decomposition (PID) framework and develop three quantities to analyze the synergy and redundancy in convolutional layer representations. Our results validate two fundamental data processing inequalities and reveal some fundamental properties concerning the training of CNN.

preprint2019arXiv

On Kernel Method-Based Connectionist Models and Supervised Deep Learning Without Backpropagation

We propose a novel family of connectionist models based on kernel machines and consider the problem of learning layer-by-layer a compositional hypothesis class, i.e., a feedforward, multilayer architecture, in a supervised setting. In terms of the models, we present a principled method to "kernelize" (partly or completely) any neural network (NN). With this method, we obtain a counterpart of any given NN that is powered by kernel machines instead of neurons. In terms of learning, when learning a feedforward deep architecture in a supervised setting, one needs to train all the components simultaneously using backpropagation (BP) since there are no explicit targets for the hidden layers (Rumelhart86). We consider without loss of generality the two-layer case and present a general framework that explicitly characterizes a target for the hidden layer that is optimal for minimizing the objective function of the network. This characterization then makes possible a purely greedy training scheme that learns one layer at a time, starting from the input layer. We provide realizations of the abstract framework under certain architectures and objective functions. Based on these realizations, we present a layer-wise training algorithm for an l-layer feedforward network for classification, where l>=2 can be arbitrary. This algorithm can be given an intuitive geometric interpretation that makes the learning dynamics transparent. Empirical results are provided to complement our theory. We show that the kernelized networks, trained layer-wise, compare favorably with classical kernel machines as well as other connectionist models trained by BP. We also visualize the inner workings of the greedy kernelized models to validate our claim on the transparency of the layer-wise algorithm.