Shujian Yu

Hongming Li, Shujian Yu, Jose Principe

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.

Kaizhong Zheng, Shujian Yu, Baojuan Li et al.

Developing a new diagnostic models based on the underlying biological mechanisms rather than subjective symptoms for psychiatric disorders is an emerging consensus. Recently, machine learning-based classifiers using functional connectivity (FC) for psychiatric disorders and healthy controls are developed to identify brain markers. However, existing machine learning-based diagnostic models are prone to over-fitting (due to insufficient training samples) and perform poorly in new test environment. Furthermore, it is difficult to obtain explainable and reliable brain biomarkers elucidating the underlying diagnostic decisions. These issues hinder their possible clinical applications. In this work, we propose BrainIB, a new graph neural network (GNN) framework to analyze functional magnetic resonance images (fMRI), by leveraging the famed Information Bottleneck (IB) principle. BrainIB is able to identify the most informative edges in the brain (i.e., subgraph) and generalizes well to unseen data. We evaluate the performance of BrainIB against 3 baselines and 7 state-of-the-art brain network classification methods on three psychiatric datasets and observe that our BrainIB always achieves the highest diagnosis accuracy. It also discovers the subgraph biomarkers which are consistent to clinical and neuroimaging findings. The source code and implementation details of BrainIB are freely available at GitHub repository (https://github.com/SJYuCNEL/brain-and-Information-Bottleneck/).

Shujian Yu, Francesco Alesiani, Wenzhe Yin et al.

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

Qi Zhang, Shujian Yu, Jingmin Xin et al.

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}.

Kaizhong Zheng, Shujian Yu, Badong Chen

There is a recent trend to leverage the power of graph neural networks (GNNs) for brain-network based psychiatric diagnosis, which,in turn, also motivates an urgent need for psychiatrists to fully understand the decision behavior of the used GNNs. However, most of the existing GNN explainers are either post-hoc in which another interpretive model needs to be created to explain a well-trained GNN, or do not consider the causal relationship between the extracted explanation and the decision, such that the explanation itself contains spurious correlations and suffers from weak faithfulness. In this work, we propose a granger causality-inspired graph neural network (CI-GNN), a built-in interpretable model that is able to identify the most influential subgraph (i.e., functional connectivity within brain regions) that is causally related to the decision (e.g., major depressive disorder patients or healthy controls), without the training of an auxillary interpretive network. CI-GNN learns disentangled subgraph-level representations α and \b{eta} that encode, respectively, the causal and noncausal aspects of original graph under a graph variational autoencoder framework, regularized by a conditional mutual information (CMI) constraint. We theoretically justify the validity of the CMI regulation in capturing the causal relationship. We also empirically evaluate the performance of CI-GNN against three baseline GNNs and four state-of-the-art GNN explainers on synthetic data and three large-scale brain disease datasets. We observe that CI-GNN achieves the best performance in a wide range of metrics and provides more reliable and concise explanations which have clinical evidence.The source code and implementation details of CI-GNN are freely available at GitHub repository (https://github.com/ZKZ-Brain/CI-GNN/).

Shujian Yu, Hongming Li, Sigurd Løkse et al.

The Cauchy-Schwarz (CS) divergence was developed by Príncipe et al. in 2000. In this paper, we extend the classic CS divergence to quantify the closeness between two conditional distributions and show that the developed conditional CS divergence can be simply estimated by a kernel density estimator from given samples. We illustrate the advantages (e.g., rigorous faithfulness guarantee, lower computational complexity, higher statistical power, and much more flexibility in a wide range of applications) of our conditional CS divergence over previous proposals, such as the conditional KL divergence and the conditional maximum mean discrepancy. We also demonstrate the compelling performance of conditional CS divergence in two machine learning tasks related to time series data and sequential inference, namely time series clustering and uncertainty-guided exploration for sequential decision making. The code of conditional CS divergence is available at https://github.com/SJYuCNEL/conditional_CS_divergence.

Zhao Yang, Xinrui Zu, Jacob E. Kooi et al.

Reinforcement learning from expert videos across visually distinct domains is challenging due to the absence of reward signals and the presence of domain gaps. We introduce XIPER (Cross-domain Video Prediction Reward), a reward model for learning from expert videos collected in a visually different domain, where the agent's appearance differs due to factors such as color, morphology, or the sim-to-real gap. More specifically, XIPER trains a cross-domain video prediction model that maps agent observations into the expert domain and uses the prediction likelihood as a reward signal. Experiments on the DMC Color Suite (8 tasks) and DMC Body Suite (3 tasks) show that XIPER consistently outperforms baselines despite domain gaps such as differences in agent color and morphology. We further analyze XIPER on a sim-to-real transfer dataset, demonstrating that it produces meaningful reward signals for real-robot observations given only simulated expert videos. Code, pretrained models, datasets and video demonstrations can be found on our project webpage: https://sites.google.com/view/xiper

Yufeng Shi, Shujian Yu, Duanquan Xu et al.

Zero-shot cross-modal retrieval (ZS-CMR) deals with the retrieval problem among heterogenous data from unseen classes. Typically, to guarantee generalization, the pre-defined class embeddings from natural language processing (NLP) models are used to build a common space. In this paper, instead of using an extra NLP model to define a common space beforehand, we consider a totally different way to construct (or learn) a common hamming space from an information-theoretic perspective. We term our model the Information-Theoretic Hashing (ITH), which is composed of two cascading modules: an Adaptive Information Aggregation (AIA) module; and a Semantic Preserving Encoding (SPE) module. Specifically, our AIA module takes the inspiration from the Principle of Relevant Information (PRI) to construct a common space that adaptively aggregates the intrinsic semantics of different modalities of data and filters out redundant or irrelevant information. On the other hand, our SPE module further generates the hashing codes of different modalities by preserving the similarity of intrinsic semantics with the element-wise Kullback-Leibler (KL) divergence. A total correlation regularization term is also imposed to reduce the redundancy amongst different dimensions of hash codes. Sufficient experiments on three benchmark datasets demonstrate the superiority of the proposed ITH in ZS-CMR. Source code is available in the supplementary material.

Tianchao Li, Shujian Yu, Xinrui Zu et al.

Contrastive learning is effective for aligning paired views or modalities, but alignment beyond two modalities remains non-trivial and comparatively underexplored. Pairwise CLIP-style losses decompose multi-modal alignment into independent two-way comparisons and therefore do not explicitly model higher-order dependencies among multiple modalities. Recent beyond-pairwise objectives approach this problem from statistical or geometric perspectives, but arbitrary-modality alignment still lacks a principled criterion for defining what each modality should preserve and compress relative to the others. We revisit arbitrary-modality alignment through the Information Bottleneck principle. In multi-modal learning, sufficiency should preserve information predictable from the remaining modalities, while minimality should compress modality-specific information not supported by them. This naturally leads to a One-vs-All view, where each modality is characterized with respect to the remaining modalities. We propose OVA-IB, an Information Bottleneck framework for arbitrary-modality alignment. OVA-IB optimizes a tractable One-vs-All contrastive lower bound for sufficiency connected to a Dual Total Correlation-style objective, uses a parameter-free geometry-aware projection score, and derives a tractable upper-bound regularizer for minimality by bounding each representation's dependence on its own input with representation distributions induced by the remaining modalities. Experiments on classification, regression, modality-agnostic evaluation, and cross-modal retrieval benchmarks demonstrate strong and robust performance.

Yu Wang, Shuo Ye, Shujian Yu et al.

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.

Shuo Ye, Shujian Yu, Wenjin Hou et al.

Fine-grained visual categorization (FGVC) is a challenging task due to similar visual appearances between various species. Previous studies always implicitly assume that the training and test data have the same underlying distributions, and that features extracted by modern backbone architectures remain discriminative and generalize well to unseen test data. However, we empirically justify that these conditions are not always true on benchmark datasets. To this end, we combine the merits of invariant risk minimization (IRM) and information bottleneck (IB) principle to learn invariant and minimum sufficient (IMS) representations for FGVC, such that the overall model can always discover the most succinct and consistent fine-grained features. We apply the matrix-based R{é}nyi's $α$-order entropy to simplify and stabilize the training of IB; we also design a ``soft" environment partition scheme to make IRM applicable to FGVC task. To the best of our knowledge, we are the first to address the problem of FGVC from a generalization perspective and develop a new information-theoretic solution accordingly. Extensive experiments demonstrate the consistent performance gain offered by our IMS.

Yuxin Dong, Tieliang Gong, Shujian Yu et al.

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.

Wenzhe Yin, Pan Zhou, Zehao Xiao et al.

Multimodal representation learning aims to construct a shared embedding space in which heterogeneous modalities are semantically aligned. Despite strong empirical results, InfoNCE-based objectives introduce inherent conflicts that yield distribution gaps across modalities. In this work, we identify two conflicts in the multimodal regime, both exacerbated as the number of modalities increases: (i) an alignment-uniformity conflict, whereby the repulsion of uniformity undermines pairwise alignment, and (ii) an intra-alignment conflict, where aligning multiple modalities induces competing alignment directions. To address these issues, we propose a principled decoupling of alignment and uniformity for multimodal representations, providing a conflict-free recipe for multimodal learning that simultaneously supports discriminative and generative use cases without task-specific modules. We then provide a theoretical guarantee that our method acts as an efficient proxy for a global Hölder divergence over multiple modality distributions, and thus reduces the distribution gap among modalities. Extensive experiments on retrieval and UnCLIP-style generation demonstrate consistent gains.

Yuxin Dong, Tieliang Gong, Shujian Yu et al.

The matrix-based Rényi's entropy allows us to directly quantify information measures from given data, without explicit estimation of the underlying probability distribution. This intriguing property makes it widely applied in statistical inference and machine learning tasks. However, this information theoretical quantity is not robust against noise in the data, and is computationally prohibitive in large-scale applications. To address these issues, we propose a novel measure of information, termed low-rank matrix-based Rényi's entropy, based on low-rank representations of infinitely divisible kernel matrices. The proposed entropy functional inherits the specialty of of the original definition to directly quantify information from data, but enjoys additional advantages including robustness and effective calculation. Specifically, our low-rank variant is more sensitive to informative perturbations induced by changes in underlying distributions, while being insensitive to uninformative ones caused by noises. Moreover, low-rank Rényi's entropy can be efficiently approximated by random projection and Lanczos iteration techniques, reducing the overall complexity from $\mathcal{O}(n^3)$ to $\mathcal{O}(n^2 s)$ or even $\mathcal{O}(ns^2)$, where $n$ is the number of data samples and $s \ll n$. We conduct large-scale experiments to evaluate the effectiveness of this new information measure, demonstrating superior results compared to matrix-based Rényi's entropy in terms of both performance and computational efficiency.

Luis Pedro Silvestrin, Shujian Yu, Mark Hoogendoorn

Coping with distributional shifts is an important part of transfer learning methods in order to perform well in real-life tasks. However, most of the existing approaches in this area either focus on an ideal scenario in which the data does not contain noises or employ a complicated training paradigm or model design to deal with distributional shifts. In this paper, we revisit the robustness of the minimum error entropy (MEE) criterion, a widely used objective in statistical signal processing to deal with non-Gaussian noises, and investigate its feasibility and usefulness in real-life transfer learning regression tasks, where distributional shifts are common. Specifically, we put forward a new theoretical result showing the robustness of MEE against covariate shift. We also show that by simply replacing the mean squared error (MSE) loss with the MEE on basic transfer learning algorithms such as fine-tuning and linear probing, we can achieve competitive performance with respect to state-of-the-art transfer learning algorithms. We justify our arguments on both synthetic data and 5 real-world time-series data.

Qianyu Chen, Shujian Yu

Functional magnetic resonance imaging (fMRI) is widely used for studying and diagnosing brain disorders, with functional connectivity (FC) matrices providing powerful representations of large-scale neural interactions. However, existing diagnostic models are trained either on a single site or under full multi-site access, making them unsuitable for real-world scenarios where clinical data arrive sequentially from different institutions. This results in limited generalization and severe catastrophic forgetting. This paper presents the first continual learning framework specifically designed for fMRI-based diagnosis across heterogeneous clinical sites. Our framework introduces a structure-aware variational autoencoder that synthesizes realistic FC matrices for both patient and control groups. Built on this generative backbone, we develop a multi-level knowledge distillation strategy that aligns predictions and graph representations between new-site data and replayed samples. To further enhance efficiency, we incorporate a hierarchical contextual bandit scheme for adaptive replay sampling. Experiments on multi-site datasets for major depressive disorder (MDD), schizophrenia (SZ), and autism spectrum disorder (ASD) show that the proposed generative model enhances data augmentation quality, and the overall continual learning framework substantially outperforms existing methods in mitigating catastrophic forgetting. Our code is available at https://github.com/4me808/FORGE.

Shujian Yu, Xi Yu, Sigurd Løkse et al.

The information bottleneck (IB) approach is popular to improve the generalization, robustness and explainability of deep neural networks. Essentially, it aims to find a minimum sufficient representation $\mathbf{t}$ by striking a trade-off between a compression term $I(\mathbf{x};\mathbf{t})$ and a prediction term $I(y;\mathbf{t})$, where $I(\cdot;\cdot)$ refers to the mutual information (MI). MI is for the IB for the most part expressed in terms of the Kullback-Leibler (KL) divergence, which in the regression case corresponds to prediction based on mean squared error (MSE) loss with Gaussian assumption and compression approximated by variational inference. In this paper, we study the IB principle for the regression problem and develop a new way to parameterize the IB with deep neural networks by exploiting favorable properties of the Cauchy-Schwarz (CS) divergence. By doing so, we move away from MSE-based regression and ease estimation by avoiding variational approximations or distributional assumptions. We investigate the improved generalization ability of our proposed CS-IB and demonstrate strong adversarial robustness guarantees. We demonstrate its superior performance on six real-world regression tasks over other popular deep IB approaches. We additionally observe that the solutions discovered by CS-IB always achieve the best trade-off between prediction accuracy and compression ratio in the information plane. The code is available at \url{https://github.com/SJYuCNEL/Cauchy-Schwarz-Information-Bottleneck}.

Kunyu Zhang, Yanwu Yang, Jing Zhang et al.

Recent deep learning methods for fMRI-based diagnosis have achieved promising accuracy by modeling functional connectivity networks. However, standard approaches often struggle with noisy interactions, and conventional post-hoc attribution methods may lack reliability, potentially highlighting dataset-specific artifacts. To address these challenges, we introduce PIME, an interpretable framework that bridges intrinsic interpretability with minimal-sufficient subgraph optimization by integrating prototype-based classification and consistency training with structural perturbations during learning. This encourages a structured latent space and enables Monte Carlo Tree Search (MCTS) under a prototype-consistent objective to extract compact minimal-sufficient explanatory subgraphs post-training. Experiments on three benchmark fMRI datasets demonstrate that PIME achieves state-of-the-art performance. Furthermore, by constraining the search space via learned prototypes, PIME identifies critical brain regions that are consistent with established neuroimaging findings. Stability analysis shows 90% reproducibility and consistent explanations across atlases.

Zhaozhao Ma, Shujian Yu

Multimodal regression aims to predict a continuous target from heterogeneous input sources and typically relies on fusion strategies such as early or late fusion. However, existing methods lack principled tools to disentangle and quantify the individual contributions of each modality and their interactions, limiting the interpretability of multimodal fusion. We propose a novel multimodal regression framework grounded in Partial Information Decomposition (PID), which decomposes modality-specific representations into unique, redundant, and synergistic components. The basic PID framework is inherently underdetermined. To resolve this, we introduce inductive bias by enforcing Gaussianity in the joint distribution of latent representations and the transformed response variable (after inverse normal transformation), thereby enabling analytical computation of the PID terms. Additionally, we derive a closed-form conditional independence regularizer to promote the isolation of unique information within each modality. Experiments on six real-world datasets, including a case study on large-scale brain age prediction from multimodal neuroimaging data, demonstrate that our framework outperforms state-of-the-art methods in both predictive accuracy and interpretability, while also enabling informed modality selection for efficient inference. Implementation is available at https://github.com/zhaozhaoma/PIDReg.

Qiang Li, Shujian Yu, Jesus Malo et al.

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.

Francesco Alesiani, Shujian Yu, Mathias Niepert

Empirical risk minimization can lead to poor generalization behavior on unseen environments if the learned model does not capture invariant feature representations. Invariant risk minimization (IRM) is a recent proposal for discovering environment-invariant representations. IRM was introduced by Arjovsky et al. (2019) and extended by Ahuja et al. (2020). IRM assumes that all environments are available to the learning system at the same time. With this work, we generalize the concept of IRM to scenarios where environments are observed sequentially. We show that existing approaches, including those designed for continual learning, fail to identify the invariant features and models across sequentially presented environments. We extend IRM under a variational Bayesian and bilevel framework, creating a general approach to continual invariant risk minimization. We also describe a strategy to solve the optimization problems using a variant of the alternating direction method of multiplier (ADMM). We show empirically using multiple datasets and with multiple sequential environments that the proposed methods outperform or is competitive with prior approaches.

Kunyu Zhang, Qiang Li, Vince D. Calhoun et al.

Resting-state functional magnetic resonance imaging (fMRI) has emerged as a cornerstone for psychiatric diagnosis, yet most approaches rely on pairwise brain cortical or sub-cortical connectivities that overlooks higher-order interactions (HOIs) central to complex brain dynamics. While hypergraph methods encode HOIs through predefined hyperedges, their construction typically relies on heuristic similarity metrics and does not explicitly characterize whether interactions are synergy- or redundancy-dominated. In this paper, we introduce $O$-information, a signed measure that characterizes the informational nature of HOIs, and integrate third- and fourth-order $O$-information into a unified multi-view information bottleneck framework for fMRI-based psychiatric diagnosis. To enable scalable $O$-information estimation, we further develop two independent acceleration strategies: a Gaussian analytical approximation and a randomized matrix-based Rényi entropy estimator, achieving over a 30-fold computational speedup compared with conventional estimators. Our tri-view architecture systematically fuses pairwise, triadic, and tetradic brain interactions, capturing comprehensive brain connectivity while explicitly penalizing redundancy. Extensive evaluation across four benchmark datasets (REST-meta-MDD, ABIDE, UCLA, ADNI) demonstrates consistent improvements, outperforming 11 baseline methods including state-of-the-art graph neural network (GNN) and hypergraph based approaches. Moreover, our method reveals interpretable region-level synergy-redundancy patterns which are not explicitly characterized by conventional hypergraph formulations.

Kunyu Zhang, Qiang Li, Shujian Yu

Recent evidence suggests that modeling higher-order interactions (HOIs) in functional magnetic resonance imaging (fMRI) data can enhance the diagnostic accuracy of machine learning systems. However, effectively extracting and utilizing HOIs remains a significant challenge. In this work, we propose MvHo-IB, a novel multi-view learning framework that integrates both pairwise interactions and HOIs for diagnostic decision-making, while automatically compressing task-irrelevant redundant information. MvHo-IB introduces several key innovations: (1) a principled method that combines O-information from information theory with a matrix-based Renyi alpha-order entropy estimator to quantify and extract HOIs, (2) a purpose-built Brain3DCNN encoder to effectively utilize these interactions, and (3) a new multi-view learning information bottleneck objective to enhance representation learning. Experiments on three benchmark fMRI datasets demonstrate that MvHo-IB achieves state-of-the-art performance, significantly outperforming previous methods, including recent hypergraph-based techniques. The implementation of MvHo-IB is available at https://github.com/zky04/MvHo-IB.

Qiang Li, Shujian Yu, Liang Ma et al.

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.

Deyang Zheng, Tianyi Zhang, Wenming Zheng et al.

Emotional states manifest as coordinated yet heterogeneous physiological responses across central and autonomic systems, posing a fundamental challenge for multimodal representation learning in affective computing. Learning such joint dynamics is further complicated by the scarcity and subjectivity of affective annotations, which motivates the use of self-supervised learning (SSL). However, most existing SSL approaches rely on pairwise alignment objectives, which are insufficient to characterize dependencies among more than two modalities and fail to capture higher-order interactions arising from coordinated brain and autonomic responses. To address this limitation, we propose Multimodal Functional Maximum Correlation (MFMC), a principled SSL framework that maximizes higher-order multimodal dependence through a Dual Total Correlation (DTC) objective. By deriving a tight sandwich bound and optimizing it using a functional maximum correlation analysis (FMCA) based trace surrogate, MFMC captures joint multimodal interactions directly, without relying on pairwise contrastive losses. Experiments on three public affective computing benchmarks demonstrate that MFMC consistently achieves state-of-the-art or competitive performance under both subject-dependent and subject-independent evaluation protocols, highlighting its robustness to inter-subject variability. In particular, MFMC improves subject-dependent accuracy on CEAP-360VR from 78.9% to 86.8%, and subject-independent accuracy from 27.5% to 33.1% using the EDA signal alone. Moreover, MFMC remains within 0.8 percentage points of the best-performing method on the most challenging EEG subject-independent split of MAHNOB-HCI. Our code is available at https://github.com/DY9910/MFMC.

Jakub Frac, Alexander Schmatz, Qiang Li et al.

Functional magnetic resonance imaging (fMRI) analysis faces significant challenges due to limited dataset sizes and domain variability between studies. Traditional self-supervised learning methods inspired by computer vision often rely on positive and negative sample pairs, which can be problematic for neuroimaging data where defining appropriate contrasts is non-trivial. We propose adapting a recently developed Hierarchical Functional Maximal Correlation Algorithm (HFMCA) to graph-structured fMRI data, providing a theoretically grounded approach that measures statistical dependence via density ratio decomposition in a reproducing kernel Hilbert space (RKHS),and applies HFMCA-based pretraining to learn robust and generalizable representations. Evaluations across five neuroimaging datasets demonstrate that our adapted method produces competitive embeddings for various classification tasks and enables effective knowledge transfer to unseen datasets. Codebase and supplementary material can be found here: https://github.com/fr30/mri-eigenencoder

Jiahao Zhang, Wenzhe Yin, Shujian Yu

Effective cross-modal retrieval requires robust alignment of heterogeneous data types. Most existing methods focus on bi-modal retrieval tasks and rely on distributional alignment techniques such as Kullback-Leibler divergence, Maximum Mean Discrepancy, and correlation alignment. However, these methods often suffer from critical limitations, including numerical instability, sensitivity to hyperparameters, and their inability to capture the full structure of the underlying distributions. In this paper, we introduce the Cauchy-Schwarz (CS) divergence, a hyperparameter-free measure that improves both training stability and retrieval performance. We further propose a novel Generalized CS (GCS) divergence inspired by Hölder's inequality. This extension enables direct alignment of three or more modalities within a unified mathematical framework through a bidirectional circular comparison scheme, eliminating the need for exhaustive pairwise comparisons. Extensive experiments on six benchmark datasets demonstrate the effectiveness of our method in both bi-modal and tri-modal retrieval tasks. The code of our CS/GCS divergence is publicly available at https://github.com/JiahaoZhang666/CSD.

Shiqin Tang, Shujian Yu

Extracting meaningful latent representations from high-dimensional sequential data is a crucial challenge in machine learning, with applications spanning natural science and engineering. We introduce InfoDPCCA, a dynamic probabilistic Canonical Correlation Analysis (CCA) framework designed to model two interdependent sequences of observations. InfoDPCCA leverages a novel information-theoretic objective to extract a shared latent representation that captures the mutual structure between the data streams and balances representation compression and predictive sufficiency while also learning separate latent components that encode information specific to each sequence. Unlike prior dynamic CCA models, such as DPCCA, our approach explicitly enforces the shared latent space to encode only the mutual information between the sequences, improving interpretability and robustness. We further introduce a two-step training scheme to bridge the gap between information-theoretic representation learning and generative modeling, along with a residual connection mechanism to enhance training stability. Through experiments on synthetic and medical fMRI data, we demonstrate that InfoDPCCA excels as a tool for representation learning. Code of InfoDPCCA is available at https://github.com/marcusstang/InfoDPCCA.

Hongming Li, Shujian Yu, Jose C. Principe

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.

Francesco Alesiani, Shujian Yu, Xi Yu

Deep neural networks suffer from poor generalization to unseen environments when the underlying data distribution is different from that in the training set. By learning minimum sufficient representations from training data, the information bottleneck (IB) approach has demonstrated its effectiveness to improve generalization in different AI applications. In this work, we propose a new neural network-based IB approach, termed gated information bottleneck (GIB), that dynamically drops spurious correlations and progressively selects the most task-relevant features across different environments by a trainable soft mask (on raw features). GIB enjoys a simple and tractable objective, without any variational approximation or distributional assumption. We empirically demonstrate the superiority of GIB over other popular neural network-based IB approaches in adversarial robustness and out-of-distribution (OOD) detection. Meanwhile, we also establish the connection between IB theory and invariant causal representation learning, and observed that GIB demonstrates appealing performance when different environments arrive sequentially, a more practical scenario where invariant risk minimization (IRM) fails. Code of GIB is available at https://github.com/falesiani/GIB

Xi Yu, Shujian Yu, Jose C. Principe

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

Wanqi Zhou, Shuanghao Bai, Shujian Yu et al.

With the advancement of neural networks, diverse methods for neural Granger causality have emerged, which demonstrate proficiency in handling complex data, and nonlinear relationships. However, the existing framework of neural Granger causality has several limitations. It requires the construction of separate predictive models for each target variable, and the relationship depends on the sparsity on the weights of the first layer, resulting in challenges in effectively modeling complex relationships between variables as well as unsatisfied estimation accuracy of Granger causality. Moreover, most of them cannot grasp full-time Granger causality. To address these drawbacks, we propose a Jacobian Regularizer-based Neural Granger Causality (JRNGC) approach, a straightforward yet highly effective method for learning multivariate summary Granger causality and full-time Granger causality by constructing a single model for all target variables. Specifically, our method eliminates the sparsity constraints of weights by leveraging an input-output Jacobian matrix regularizer, which can be subsequently represented as the weighted causal matrix in the post-hoc analysis. Extensive experiments show that our proposed approach achieves competitive performance with the state-of-the-art methods for learning summary Granger causality and full-time Granger causality while maintaining lower model complexity and high scalability.

Xiaoyun Xu, Shujian Yu, Zhuoran Liu et al.

Vision Transformers (ViTs) have emerged as a fundamental architecture and serve as the backbone of modern vision-language models. Despite their impressive performance, ViTs exhibit notable vulnerability to evasion attacks, necessitating the development of specialized Adversarial Training (AT) strategies tailored to their unique architecture. While a direct solution might involve applying existing AT methods to ViTs, our analysis reveals significant incompatibilities, particularly with state-of-the-art (SOTA) approaches such as Generalist (CVPR 2023) and DBAT (USENIX Security 2024). This paper presents a systematic investigation of adversarial robustness in ViTs and provides a novel theoretical Mutual Information (MI) analysis in its autoencoder-based self-supervised pre-training. Specifically, we show that MI between the adversarial example and its latent representation in ViT-based autoencoders should be constrained via derived MI bounds. Building on this insight, we propose a self-supervised AT method, MIMIR, that employs an MI penalty to facilitate adversarial pre-training by masked image modeling with autoencoders. Extensive experiments on CIFAR-10, Tiny-ImageNet, and ImageNet-1K show that MIMIR can consistently provide improved natural and robust accuracy, where MIMIR outperforms SOTA AT results on ImageNet-1K. Notably, MIMIR demonstrates superior robustness against unforeseen attacks and common corruption data and can also withstand adaptive attacks where the adversary possesses full knowledge of the defense mechanism.

Wenzhe Yin, Zehao Xiao, Pan Zhou et al.

Multimodal alignment is crucial for various downstream tasks such as cross-modal generation and retrieval. Previous multimodal approaches like CLIP utilize InfoNCE to maximize mutual information, primarily aligning pairwise samples across modalities while overlooking distributional differences. In addition, InfoNCE has inherent conflict in terms of alignment and uniformity in multimodality, leading to suboptimal alignment with modality gaps. To overcome the limitations, we propose CS-Aligner, a novel framework that performs distributional vision-language alignment by integrating Cauchy-Schwarz (CS) divergence with mutual information. CS-Aligner captures both the global distribution information of each modality and the pairwise semantic relationships. We find that the CS divergence seamlessly addresses the InfoNCE's alignment-uniformity conflict and serves complementary roles with InfoNCE, yielding tighter and more precise alignment. Moreover, by introducing distributional alignment, CS-Aligner enables incorporating additional information from unpaired data and token-level representations, enhancing flexible and fine-grained alignment in practice. Experiments on text-to-image generation and cross-modality retrieval tasks demonstrate the effectiveness of our method on vision-language alignment.

Hongming Li, Shujian Yu, Bin Liu et al.

This paper proposes \emph{Episodic and Lifelong Exploration via Maximum ENTropy} (ELEMENT), a novel, multiscale, intrinsically motivated reinforcement learning (RL) framework that is able to explore environments without using any extrinsic reward and transfer effectively the learned skills to downstream tasks. We advance the state of the art in three ways. First, we propose a multiscale entropy optimization to take care of the fact that previous maximum state entropy, for lifelong exploration with millions of state observations, suffers from vanishing rewards and becomes very expensive computationally across iterations. Therefore, we add an episodic maximum entropy over each episode to speedup the search further. Second, we propose a novel intrinsic reward for episodic entropy maximization named \emph{average episodic state entropy} which provides the optimal solution for a theoretical upper bound of the episodic state entropy objective. Third, to speed the lifelong entropy maximization, we propose a $k$ nearest neighbors ($k$NN) graph to organize the estimation of the entropy and updating processes that reduces the computation substantially. Our ELEMENT significantly outperforms state-of-the-art intrinsic rewards in both episodic and lifelong setups. Moreover, it can be exploited in task-agnostic pre-training, collecting data for offline reinforcement learning, etc.

Shiqin Tang, Shujian Yu, Yining Dong et al.

This paper presents Deep Dynamic Probabilistic Canonical Correlation Analysis (D2PCCA), a model that integrates deep learning with probabilistic modeling to analyze nonlinear dynamical systems. Building on the probabilistic extensions of Canonical Correlation Analysis (CCA), D2PCCA captures nonlinear latent dynamics and supports enhancements such as KL annealing for improved convergence and normalizing flows for a more flexible posterior approximation. D2PCCA naturally extends to multiple observed variables, making it a versatile tool for encoding prior knowledge about sequential datasets and providing a probabilistic understanding of the system's dynamics. Experimental validation on real financial datasets demonstrates the effectiveness of D2PCCA and its extensions in capturing latent dynamics.

Tianzheng Hu, Qiang Li, Shu Liu et al.

The development of diagnostic models is gaining traction in the field of psychiatric disorders. Recently, machine learning classifiers based on resting-state functional magnetic resonance imaging (rs-fMRI) have been developed to identify brain biomarkers that differentiate psychiatric disorders from healthy controls. However, conventional machine learning-based diagnostic models often depend on extensive feature engineering, which introduces bias through manual intervention. While deep learning models are expected to operate without manual involvement, their lack of interpretability poses significant challenges in obtaining explainable and reliable brain biomarkers to support diagnostic decisions, ultimately limiting their clinical applicability. In this study, we introduce an end-to-end innovative graph neural network framework named BrainIB++, which applies the information bottleneck (IB) principle to identify the most informative data-driven brain regions as subgraphs during model training for interpretation. We evaluate the performance of our model against nine established brain network classification methods across three multi-cohort schizophrenia datasets. It consistently demonstrates superior diagnostic accuracy and exhibits generalizability to unseen data. Furthermore, the subgraphs identified by our model also correspond with established clinical biomarkers in schizophrenia, particularly emphasizing abnormalities in the visual, sensorimotor, and higher cognition brain functional network. This alignment enhances the model's interpretability and underscores its relevance for real-world diagnostic applications.

Jinzhou Wu, Baoping Tang, Qikang Li et al.

Decoding motor imagery (MI) electroencephalogram (EEG) signals, a key non-invasive brain-computer interface (BCI) paradigm for controlling external systems, has been significantly advanced by deep learning. However, MI-EEG decoding remains challenging due to substantial inter-subject variability and limited labeled target data, which necessitate costly calibration for new users. Many existing multi-source domain adaptation (MSDA) methods indiscriminately incorporate all available source domains, disregarding the large inter-subject differences in EEG signals, which leads to negative transfer and excessive computational costs. Moreover, while many approaches focus on feature distribution alignment, they often neglect the explicit dependence between features and decision-level outputs, limiting their ability to preserve discriminative structures. To address these gaps, we propose a novel MSDA framework that leverages a pretrained large Brain Foundation Model (BFM) for dynamic and informed source subject selection, ensuring only relevant sources contribute to adaptation. Furthermore, we employ Cauchy-Schwarz (CS) and Conditional CS (CCS) divergences to jointly perform feature-level and decision-level alignment, enhancing domain invariance while maintaining class discriminability. Extensive evaluations on two benchmark MI-EEG datasets demonstrate that our framework outperforms a broad range of state-of-the-art baselines. Additional experiments with a large source pool validate the scalability and efficiency of BFM-guided selection, which significantly reduces training time without sacrificing performance.

Yuxin Ye, Yan Liu, Shujian Yu

Continual learning in medical image segmentation involves sequential data acquisition across diverse domains (e.g., clinical sites), where task interference between past and current domains often leads to catastrophic forgetting. Existing continual learning methods fail to capture the complex dependencies between tasks. We introduce a novel framework that mitigates forgetting by establishing and enhancing complex dependencies between historical data and the network in the present task. Our framework features a dual-alignment strategy, the cross-network alignment (CNA) module aligns the features extracted from the bottleneck layers of the current and previous networks, respectively, while the cross-representation alignment (CRA) module aligns the features learned by the current network from historical buffered data and current input data, respectively. Implementing both types of alignment is a non-trivial task. To address this, we further analyze the linear and nonlinear forms of the well-established Hilbert-Schmidt Independence Criterion (HSIC) and deliberately design feature mapping and feature pairing blocks within the CRA module. Experiments on medical image segmentation task demonstrate our framework's effectiveness in mitigating catastrophic forgetting under domain shifts.

Rogelio A Mancisidor, Robert Jenssen, Shujian Yu et al.

Multimodal learning with variational autoencoders (VAEs) requires estimating joint distributions to evaluate the evidence lower bound (ELBO). Current methods, the product and mixture of experts, aggregate single-modality distributions assuming independence for simplicity, which is an overoptimistic assumption. This research introduces a novel methodology for aggregating single-modality distributions by exploiting the principle of consensus of dependent experts (CoDE), which circumvents the aforementioned assumption. Utilizing the CoDE method, we propose a novel ELBO that approximates the joint likelihood of the multimodal data by learning the contribution of each subset of modalities. The resulting CoDE-VAE model demonstrates better performance in terms of balancing the trade-off between generative coherence and generative quality, as well as generating more precise log-likelihood estimations. CoDE-VAE further minimizes the generative quality gap as the number of modalities increases. In certain cases, it reaches a generative quality similar to that of unimodal VAEs, which is a desirable property that is lacking in most current methods. Finally, the classification accuracy achieved by CoDE-VAE is comparable to that of state-of-the-art multimodal VAE models.

Wen Wen, Tieliang Gong, Yuxin Dong et al.

Multiview learning has drawn widespread attention for its efficacy in leveraging cross-view consensus and complementarity information to achieve a comprehensive representation of data. While multi-view learning has undergone vigorous development and achieved remarkable success, the theoretical understanding of its generalization behavior remains elusive. This paper aims to bridge this gap by developing information-theoretic generalization bounds for multi-view learning, with a particular focus on multi-view reconstruction and classification tasks. Our bounds underscore the importance of capturing both consensus and complementary information from multiple different views to achieve maximally disentangled representations. These results also indicate that applying the multi-view information bottleneck regularizer is beneficial for satisfactory generalization performance. Additionally, we derive novel data-dependent bounds under both leave-one-out and supersample settings, yielding computational tractable and tighter bounds. In the interpolating regime, we further establish the fast-rate bound for multi-view learning, exhibiting a faster convergence rate compared to conventional square-root bounds. Numerical results indicate a strong correlation between the true generalization gap and the derived bounds across various learning scenarios.

Qi Zhang, Mingfei Lu, Shujian Yu et al.

We introduce an innovative and mathematically rigorous definition for computing common information from multi-view data, drawing inspiration from Gács-Körner common information in information theory. Leveraging this definition, we develop a novel supervised multi-view learning framework to capture both common and unique information. By explicitly minimizing a total correlation term, the extracted common information and the unique information from each view are forced to be independent of each other, which, in turn, theoretically guarantees the effectiveness of our framework. To estimate information-theoretic quantities, our framework employs matrix-based R{é}nyi's $α$-order entropy functional, which forgoes the need for variational approximation and distributional estimation in high-dimensional space. Theoretical proof is provided that our framework can faithfully discover both common and unique information from multi-view data. Experiments on synthetic and seven benchmark real-world datasets demonstrate the superior performance of our proposed framework over state-of-the-art approaches.

Mingfei Lu, Chenxu Li, Shujian Yu et al.

Divergence measures play a central role and become increasingly essential in deep learning, yet efficient measures for multiple (more than two) distributions are rarely explored. This becomes particularly crucial in areas where the simultaneous management of multiple distributions is both inevitable and essential. Examples include clustering, multi-source domain adaptation or generalization, and multi-view learning, among others. While computing the mean of pairwise distances between any two distributions is a prevalent method to quantify the total divergence among multiple distributions, it is imperative to acknowledge that this approach is not straightforward and necessitates significant computational resources. In this study, we introduce a new divergence measure tailored for multiple distributions named the generalized Cauchy-Schwarz divergence (GCSD). Additionally, we furnish a kernel-based closed-form sample estimator, making it convenient and straightforward to use in various machine-learning applications. Finally, we explore its profound implications in the realm of deep learning by applying it to tackle two thoughtfully chosen machine-learning tasks: deep clustering and multi-source domain adaptation. Our extensive experimental investigations confirm the robustness and effectiveness of GCSD in both scenarios. The findings also underscore the innovative potential of GCSD and its capability to significantly propel machine learning methodologies that necessitate the quantification of multiple distributions.

Tieliang Gong, Yuxin Dong, Shujian Yu et al.

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.

Bo Hu, Shujian Yu, Jose C. Principe

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.

Ammar Shaker, Shujian Yu, Daniel Oñoro-Rubio

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).

Shujian Yu, Francesco Alesiani, Xi Yu et al.

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

Ammar Shaker, Shujian Yu, Francesco Alesiani

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.

Ammar Shaker, Francesco Alesiani, Shujian Yu et al.

Continual learning (CL) studies the problem of learning a sequence of tasks, one at a time, such that the learning of each new task does not lead to the deterioration in performance on the previously seen ones while exploiting previously learned features. This paper presents Bilevel Continual Learning (BiCL), a general framework for continual learning that fuses bilevel optimization and recent advances in meta-learning for deep neural networks. BiCL is able to train both deep discriminative and generative models under the conservative setting of the online continual learning. Experimental results show that BiCL provides competitive performance in terms of accuracy for the current task while reducing the effect of catastrophic forgetting. This is a concurrent work with [1]. We submitted it to AAAI 2020 and IJCAI 2020. Now we put it on the arxiv for record. Different from [1], we also consider continual generative model as well. At the same time, the authors are aware of a recent proposal on bilevel optimization based coreset construction for continual learning [2]. [1] Q. Pham, D. Sahoo, C. Liu, and S. C. Hoi. Bilevel continual learning. arXiv preprint arXiv:2007.15553, 2020. [2] Z. Borsos, M. Mutny, and A. Krause. Coresets via bilevel optimization for continual learning and streaming. arXiv preprint arXiv:2006.03875, 2020

Shujian Yu, Francesco Alesiani, Ammar Shaker et al.

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.