Dongmian Zou

Sheng'en Li, Dongmian Zou

Online link recommendation on evolving graphs is performative: by choosing which candidate links to show users, the system changes which links form and what feedback it later observes. Consequently, fairness estimates from logged outcomes can be misleading and may drift after deployment when the recommendation policy is updated. We introduce COPF (Counterfactual Online Performative Fairness), a decision-layer framework for deployment-stable fairness monitoring and control in online link recommendation. COPF (i) defines group-level opportunity gaps over exposure (shown vs. not shown) counterfactuals, (ii) makes them estimable by explicit exploration and by logging the probability (propensity) that each candidate is shown, and (iii) audits and controls fairness using residual outcome indistinguishability (OI) over a configurable auditor family with graph-aware doubly robust (GA-DR) estimators. We provide a noisy transfer theorem showing that Residual-OI on estimated GA-DR residuals implies bounds on exposure-counterfactual group gaps under temporal mixing and bounded local interference, and we instantiate an online multicalibration auditor together with a primal-dual controller. Experiments on two TGB streams and a controlled synthetic bipartite stream show that COPF reduces worst-case spikes in exposure-counterfactual group disparities with modest impact on ranking utility. Our code is available at https://github.com/lsnnnnnnnn/COPF.

Yifei Yang, Dongmian Zou, Xiaofan He

The recent rapid growth in mobile data traffic entails a pressing demand for improving the throughput of the underlying wireless communication networks. Network node deployment has been considered as an effective approach for throughput enhancement which, however, often leads to highly non-trivial non-convex optimizations. Although convex approximation based solutions are considered in the literature, their approximation to the actual throughput may be loose and sometimes lead to unsatisfactory performance. With this consideration, in this paper, we propose a novel graph neural network (GNN) method for the network node deployment problem. Specifically, we fit a GNN to the network throughput and use the gradients of this GNN to iteratively update the locations of the network nodes. Besides, we show that an expressive GNN has the capacity to approximate both the function value and the gradients of a multivariate permutation-invariant function, as a theoretic support to the proposed method. To further improve the throughput, we also study a hybrid node deployment method based on this approach. To train the desired GNN, we adopt a policy gradient algorithm to create datasets containing good training samples. Numerical experiments show that the proposed methods produce competitive results compared to the baselines.

Yifei Yang, Wonjun Lee, Dongmian Zou et al.

Hyperbolic representations have shown remarkable efficacy in modeling inherent hierarchies and complexities within data structures. Hyperbolic neural networks have been commonly applied for learning such representations from data, but they often fall short in preserving the geometric structures of the original feature spaces. In response to this challenge, our work applies the Gromov-Wasserstein (GW) distance as a novel regularization mechanism within hyperbolic neural networks. The GW distance quantifies how well the original data structure is maintained after embedding the data in a hyperbolic space. Specifically, we explicitly treat the layers of the hyperbolic neural networks as a transport map and calculate the GW distance accordingly. We validate that the GW distance computed based on a training set well approximates the GW distance of the underlying data distribution. Our approach demonstrates consistent enhancements over current state-of-the-art methods across various tasks, including few-shot image classification, as well as semi-supervised graph link prediction and node classification.

Yinglong Guo, Dongmian Zou, Gilad Lerman

We propose a novel and trainable graph unpooling layer for effective graph generation. Given a graph with features, the unpooling layer enlarges this graph and learns its desired new structure and features. Since this unpooling layer is trainable, it can be applied to graph generation either in the decoder of a variational autoencoder or in the generator of a generative adversarial network (GAN). We prove that the unpooled graph remains connected and any connected graph can be sequentially unpooled from a 3-nodes graph. We apply the unpooling layer within the GAN generator. Since the most studied instance of graph generation is molecular generation, we test our ideas in this context. Using the QM9 and ZINC datasets, we demonstrate the improvement obtained by using the unpooling layer instead of an adjacency-matrix-based approach.

Wonjun Lee, Yifei Yang, Dongmian Zou et al.

Generative adversarial networks (GANs) are popular for generative tasks; however, they often require careful architecture selection, extensive empirical tuning, and are prone to mode collapse. To overcome these challenges, we propose a novel model that identifies the low-dimensional structure of the underlying data distribution, maps it into a low-dimensional latent space while preserving the underlying geometry, and then optimally transports a reference measure to the embedded distribution. We prove three key properties of our method: 1) The encoder preserves the geometry of the underlying data; 2) The generator is $c$-cyclically monotone, where $c$ is an intrinsic embedding cost employed by the encoder; and 3) The discriminator's modulus of continuity improves with the geometric preservation of the data. Numerical experiments demonstrate the effectiveness of our approach in generating high-quality images and exhibiting robustness to both mode collapse and training instability.

Eric Qu, Dongmian Zou

Learning representations according to the underlying geometry is of vital importance for non-Euclidean data. Studies have revealed that the hyperbolic space can effectively embed hierarchical or tree-like data. In particular, the few past years have witnessed a rapid development of hyperbolic neural networks. However, it is challenging to learn good hyperbolic representations since common Euclidean neural operations, such as convolution, do not extend to the hyperbolic space. Most hyperbolic neural networks do not embrace the convolution operation and ignore local patterns. Others either only use non-hyperbolic convolution, or miss essential properties such as equivariance to permutation. We propose HKConv, a novel trainable hyperbolic convolution which first correlates trainable local hyperbolic features with fixed kernel points placed in the hyperbolic space, then aggregates the output features within a local neighborhood. HKConv not only expressively learns local features according to the hyperbolic geometry, but also enjoys equivariance to permutation of hyperbolic points and invariance to parallel transport of a local neighborhood. We show that neural networks with HKConv layers advance state-of-the-art in various tasks.

Yifei Yang, Peng Wang, Xiaofan He et al.

Detecting unusual patterns in graph data is a crucial task in data mining. However, existing methods face challenges in consistently achieving satisfactory performance and often lack interpretability, which hinders our understanding of anomaly detection decisions. In this paper, we propose a novel approach to graph anomaly detection that leverages the power of interpretability to enhance performance. Specifically, our method extracts an attention map derived from gradients of graph neural networks, which serves as a basis for scoring anomalies. Notably, our approach is flexible and can be used in various anomaly detection settings. In addition, we conduct theoretical analysis using synthetic data to validate our method and gain insights into its decision-making process. To demonstrate the effectiveness of our method, we extensively evaluate our approach against state-of-the-art graph anomaly detection techniques on real-world graph classification and wireless network datasets. The results consistently demonstrate the superior performance of our method compared to the baselines.

Jing Gu, Morteza Mardani, Wonjun Lee et al.

Diffusion models often degrade when trained in latent spaces (e.g., VAEs), yet the formal causes remain poorly understood. We quantify latent-space diffusability through the rate of change of the Minimum Mean Squared Error (MMSE) along the diffusion trajectory. Our framework decomposes this MMSE rate into contributions from Fisher Information (FI) and Fisher Information Rate (FIR). We demonstrate that while global isometry ensures FI alignment, FIR is governed by the encoder's local geometric properties. Our analysis explicitly decouples latent geometric distortion into three measurable penalties: dimensional compression, tangential distortion, and curvature injection. We derive theoretical conditions for FIR preservation across spaces, ensuring maintained diffusability. Experiments across diverse autoencoding architectures validate our framework and establish these efficient FI and FIR metrics as a robust diagnostic suite for identifying and mitigating latent diffusion failure.

Xinwei Tai, Dongmian Zou, Hongfei Wang

Recent years have witnessed significant advancements in machine learning methods on graphs. However, transferring knowledge effectively from one graph to another remains a critical challenge. This highlights the need for algorithms capable of applying information extracted from a source graph to an unlabeled target graph, a task known as unsupervised graph domain adaptation (GDA). One key difficulty in unsupervised GDA is conditional shift, which hinders transferability. In this paper, we show that conditional shift can be observed only if there exists local dependencies among node features. To support this claim, we perform a rigorous analysis and also further provide generalization bounds of GDA when dependent node features are modeled using markov chains. Guided by the theoretical findings, we propose to improve GDA by decorrelating node features, which can be specifically implemented through decorrelated GCN layers and graph transformer layers. Our experimental results demonstrate the effectiveness of this approach, showing not only substantial performance enhancements over baseline GDA methods but also clear visualizations of small intra-class distances in the learned representations. Our code is available at https://github.com/TechnologyAiGroup/DFT

Shouju Wang, Yuchen Song, Sheng'en Li et al.

Graph anomaly detection (GAD) has become an increasingly important task across various domains. With the rapid development of graph neural networks (GNNs), GAD methods have achieved significant performance improvements. However, fairness considerations in GAD remain largely underexplored. Indeed, GNN-based GAD models can inherit and amplify biases present in training data, potentially leading to unfair outcomes. While existing efforts have focused on developing fair GNNs, most approaches target node classification tasks, where models often rely on simple layer architectures rather than autoencoder-based structures, which are the most widely used architecturs for anomaly detection. To address fairness in autoencoder-based GAD models, we propose \textbf{D}is\textbf{E}ntangled \textbf{C}ounterfactual \textbf{A}dversarial \textbf{F}air (DECAF)-GAD, a framework that alleviates bias while preserving GAD performance. Specifically, we introduce a structural causal model (SCM) to disentangle sensitive attributes from learned representations. Based on this causal framework, we formulate a specialized autoencoder architecture along with a fairness-guided loss function. Through extensive experiments on both synthetic and real-world datasets, we demonstrate that DECAF-GAD not only achieves competitive anomaly detection performance but also significantly enhances fairness metrics compared to baseline GAD methods. Our code is available at https://github.com/Tlhey/decaf_code.

Jing Gu, Dongmian Zou

Graph anomaly detection plays a vital role for identifying abnormal instances in complex networks. Despite advancements of methodology based on deep learning in recent years, existing benchmarking approaches exhibit limitations that hinder a comprehensive comparison. In this paper, we revisit datasets and approaches for unsupervised node-level graph anomaly detection tasks from three aspects. Firstly, we introduce outlier injection methods that create more diverse and graph-based anomalies in graph datasets. Secondly, we compare methods employing message passing against those without, uncovering the unexpected decline in performance associated with message passing. Thirdly, we explore the use of hyperbolic neural networks, specifying crucial architecture and loss design that contribute to enhanced performance. Through rigorous experiments and evaluations, our study sheds light on general strategies for improving node-level graph anomaly detection methods.

Wonjun Lee, Riley C. W. O'Neill, Dongmian Zou et al.

Generative modeling aims to generate new data samples that resemble a given dataset, with diffusion models recently becoming the most popular generative model. One of the main challenges of diffusion models is solving the problem in the input space, which tends to be very high-dimensional. Recently, solving diffusion models in the latent space through an encoder that maps from the data space to a lower-dimensional latent space has been considered to make the training process more efficient and has shown state-of-the-art results. The variational autoencoder (VAE) is the most commonly used encoder/decoder framework in this domain, known for its ability to learn latent representations and generate data samples. In this paper, we introduce a novel encoder/decoder framework with theoretical properties distinct from those of the VAE, specifically designed to preserve the geometric structure of the data distribution. We demonstrate the significant advantages of this geometry-preserving encoder in the training process of both the encoder and decoder. Additionally, we provide theoretical results proving convergence of the training process, including convergence guarantees for encoder training, and results showing faster convergence of decoder training when using the geometry-preserving encoder.

Yidan Mao, Jing Gu, Marcus C. Werner et al.

Hyperbolic neural networks (HNNs) have been proved effective in modeling complex data structures. However, previous works mainly focused on the Poincaré ball model and the hyperboloid model as coordinate representations of the hyperbolic space, often neglecting the Klein model. Despite this, the Klein model offers its distinct advantages thanks to its straight-line geodesics, which facilitates the well-known Einstein midpoint construction, previously leveraged to accompany HNNs in other models. In this work, we introduce a framework for hyperbolic neural networks based on the Klein model. We provide detailed formulation for representing useful operations using the Klein model. We further study the Klein linear layer and prove that the "tangent space construction" of the scalar multiplication and parallel transport are exactly the Einstein scalar multiplication and the Einstein addition, analogous to the Möbius operations used in the Poincaré ball model. We show numerically that the Klein HNN performs on par with the Poincaré ball model, providing a third option for HNN that works as a building block for more complicated architectures.

Juntang Wang, Hao Wu, Runkun Guo et al.

Humans possess an innate ability to group objects by similarity, a cognitive mechanism that clustering algorithms aim to emulate. Recent advances in community detection have enabled the discovery of configurations -- valid hierarchical clusterings across multiple resolution scales -- without requiring labeled data. In this paper, we formally characterize these configurations and identify similar emergent structures in register tokens within Vision Transformers. Unlike register tokens, configurations exhibit lower redundancy and eliminate the need for ad hoc selection. They can be learned through unsupervised or self-supervised methods, yet their selection or composition remains specific to the downstream task and input. Building on these insights, we introduce GraMixC, a plug-and-play module that extracts configurations, aligns them using our Reverse Merge/Split (RMS) technique, and fuses them via attention heads before forwarding them to any downstream predictor. On the DSN1 16S rRNA cultivation-media prediction task, GraMixC improves the R2 score from 0.6 to 0.9 across multiple methods, setting a new state of the art. We further validate GraMixC on standard tabular benchmarks, where it consistently outperforms single-resolution and static-feature baselines.

Juntang Wang, Yihan Wang, Hao Wu et al.

Infants discover categories, detect novelty, and adapt to new contexts without supervision -- a challenge for current machine learning. We present a brain-inspired perspective on configurations, a finite-resolution clustering framework that uses a single resolution parameter and attraction-repulsion dynamics to yield hierarchical organization, novelty sensitivity, and flexible adaptation. To evaluate these properties, we introduce mheatmap, which provides proportional heatmaps and a reassignment algorithm to fairly assess multi-resolution and dynamic behavior. Across datasets, configurations are competitive on standard clustering metrics, achieve 87% AUC in novelty detection, and show 35% better stability during dynamic category evolution. These results position configurations as a principled computational model of early cognitive categorization and a step toward brain-inspired AI.

Anneke von Seeger, Dongmian Zou, Gilad Lerman

Unsupervised domain adaptation (UDA) leverages information from a labeled source dataset to improve accuracy on a related but unlabeled target dataset. A common approach to UDA is aligning representations from the source and target domains by minimizing the distance between their data distributions. Previous methods have employed distances such as Wasserstein distance and maximum mean discrepancy. However, these approaches are less effective when the target data is significantly scarcer than the source data. Stein discrepancy is an asymmetric distance between distributions that relies on one distribution only through its score function. In this paper, we propose a novel UDA method that uses Stein discrepancy to measure the distance between source and target domains. We develop a learning framework using both non-kernelized and kernelized Stein discrepancy. Theoretically, we derive an upper bound for the generalization error. Numerical experiments show that our method outperforms existing methods using other domain discrepancy measures when only small amounts of target data are available.

Chieh-Hsin Lai, Dongmian Zou, Gilad Lerman

Image generative models can learn the distributions of the training data and consequently generate examples by sampling from these distributions. However, when the training dataset is corrupted with outliers, generative models will likely produce examples that are also similar to the outliers. In fact, a small portion of outliers may induce state-of-the-art generative models, such as Vector Quantized-Variational AutoEncoder (VQ-VAE), to learn a significant mode from the outliers. To mitigate this problem, we propose a robust generative model based on VQ-VAE, which we name Robust VQ-VAE (RVQ-VAE). In order to achieve robustness, RVQ-VAE uses two separate codebooks for the inliers and outliers. To ensure the codebooks embed the correct components, we iteratively update the sets of inliers and outliers during each training epoch. To ensure that the encoded data points are matched to the correct codebooks, we quantize using a weighted Euclidean distance, whose weights are determined by directional variances of the codebooks. Both codebooks, together with the encoder and decoder, are trained jointly according to the reconstruction loss and the quantization loss. We experimentally demonstrate that RVQ-VAE is able to generate examples from inliers even if a large portion of the training data points are corrupted.

Eric Qu, Dongmian Zou

With the recent advance of geometric deep learning, neural networks have been extensively used for data in non-Euclidean domains. In particular, hyperbolic neural networks have proved successful in processing hierarchical information of data. However, many hyperbolic neural networks are numerically unstable during training, which precludes using complex architectures. This crucial problem makes it difficult to build hyperbolic generative models for real and complex data. In this work, we propose a hyperbolic generative network in which we design novel architecture and layers to improve stability in training. Our proposed network contains three parts: first, a hyperbolic autoencoder (AE) that produces hyperbolic embedding for input data; second, a hyperbolic generative adversarial network (GAN) for generating the hyperbolic latent embedding of the AE from simple noise; third, a generator that inherits the decoder from the AE and the generator from the GAN. We call this network the hyperbolic AE-GAN, or HAEGAN for short. The architecture of HAEGAN fosters expressive representation in the hyperbolic space, and the specific design of layers ensures numerical stability. Experiments show that HAEGAN is able to generate complex data with state-of-the-art structure-related performance.

Chieh-Hsin Lai, Dongmian Zou, Gilad Lerman

We propose a new method for novelty detection that can tolerate high corruption of the training points, whereas previous works assumed either no or very low corruption. Our method trains a robust variational autoencoder (VAE), which aims to generate a model for the uncorrupted training points. To gain robustness to high corruption, we incorporate the following four changes to the common VAE: 1. Extracting crucial features of the latent code by a carefully designed dimension reduction component for distributions; 2. Modeling the latent distribution as a mixture of Gaussian low-rank inliers and full-rank outliers, where the testing only uses the inlier model; 3. Applying the Wasserstein-1 metric for regularization, instead of the Kullback-Leibler (KL) divergence; and 4. Using a robust error for reconstruction. We establish both robustness to outliers and suitability to low-rank modeling of the Wasserstein metric as opposed to the KL divergence. We illustrate state-of-the-art results on standard benchmarks.

Chieh-Hsin Lai, Dongmian Zou, Gilad Lerman

We propose a neural network for unsupervised anomaly detection with a novel robust subspace recovery layer (RSR layer). This layer seeks to extract the underlying subspace from a latent representation of the given data and removes outliers that lie away from this subspace. It is used within an autoencoder. The encoder maps the data into a latent space, from which the RSR layer extracts the subspace. The decoder then smoothly maps back the underlying subspace to a "manifold" close to the original inliers. Inliers and outliers are distinguished according to the distances between the original and mapped positions (small for inliers and large for outliers). Extensive numerical experiments with both image and document datasets demonstrate state-of-the-art precision and recall.

Dongmian Zou, Gilad Lerman

Generative networks have made it possible to generate meaningful signals such as images and texts from simple noise. Recently, generative methods based on GAN and VAE were developed for graphs and graph signals. However, the mathematical properties of these methods are unclear, and training good generative models is difficult. This work proposes a graph generation model that uses a recent adaptation of Mallat's scattering transform to graphs. The proposed model is naturally composed of an encoder and a decoder. The encoder is a Gaussianized graph scattering transform, which is robust to signal and graph manipulation. The decoder is a simple fully connected network that is adapted to specific tasks, such as link prediction, signal generation on graphs and full graph and signal generation. The training of our proposed system is efficient since it is only applied to the decoder and the hardware requirements are moderate. Numerical results demonstrate state-of-the-art performance of the proposed system for both link prediction and graph and signal generation.

Dongmian Zou, Radu Balan, Maneesh Singh

Many convolutional neural networks (CNNs) have a feed-forward structure. In this paper, a linear program that estimates the Lipschitz bound of such CNNs is proposed. Several CNNs, including the scattering networks, the AlexNet and the GoogleNet, are studied numerically and compared to the theoretical bounds. Next, concentration inequalities of the output distribution to a stationary random input signal expressed in terms of the Lipschitz bound are established. The Lipschitz bound is further used to establish a nonlinear discriminant analysis designed to measure the separation between features of different classes.

Dongmian Zou, Gilad Lerman

We generalize the scattering transform to graphs and consequently construct a convolutional neural network on graphs. We show that under certain conditions, any feature generated by such a network is approximately invariant to permutations and stable to graph manipulations. Numerical results demonstrate competitive performance on relevant datasets.

Radu Balan, Maneesh Singh, Dongmian Zou

In this paper we discuss the stability properties of convolutional neural networks. Convolutional neural networks are widely used in machine learning. In classification they are mainly used as feature extractors. Ideally, we expect similar features when the inputs are from the same class. That is, we hope to see a small change in the feature vector with respect to a deformation on the input signal. This can be established mathematically, and the key step is to derive the Lipschitz properties. Further, we establish that the stability results can be extended for more general networks. We give a formula for computing the Lipschitz bound, and compare it with other methods to show it is closer to the optimal value.

Radu Balan, Dongmian Zou

In this note we prove that reconstruction from magnitudes of frame coefficients (the so called "phase retrieval problem") can be performed using Lipschitz continuous maps. Specifically we show that when the nonlinear analysis map $α:{\mathcal H}\rightarrow\mathbb{R}^m$ is injective, with $(α(x))_k=|<x,f_k>|^2$, where $\{f_1,\ldots,f_m\}$ is a frame for the Hilbert space ${\mathcal H}$, then there exists a left inverse map $ω:\mathbb{R}^m\rightarrow {\mathcal H}$ that is Lipschitz continuous. Additionally we obtain the Lipschitz constant of this inverse map in terms of the lower Lipschitz constant of $α$. Surprisingly the increase in Lipschitz constant is independent of the space dimension or frame redundancy.