A short-graph Fourier transform via personalized PageRank vectors

The short-time Fourier transform (STFT) is widely used to analyze the spectra of temporal signals that vary through time. Signals defined over graphs, due to their intrinsic complexity, exhibit large variations in their patterns. In this work we propose a new formulation for an STFT for signals defined over graphs. This formulation draws on recent ideas from spectral graph theory, using personalized PageRank vectors as its fundamental building block. Furthermore, this work establishes and explores the connection between local spectral graph theory and localized spectral analysis of graph signals. We accompany the presentation with synthetic and real-world examples, showing the suitability of the proposed approach

Polynomial-based Self-Attention for Table Representation learning

Structured data, which constitutes a significant portion of existing data types, has been a long-standing research topic in the field of machine learning. Various representation learning methods for tabular data have been proposed, ranging from encoder-decoder structures to Transformers. Among these, Transformer-based methods have achieved state-of-the-art performance not only in tabular data but also in various other fields, including computer vision and natural language processing. However, recent studies have revealed that self-attention, a key component of Transformers, can lead to an oversmoothing issue. We show that Transformers for tabular data also face this problem, and to address the problem, we propose a novel matrix polynomial-based self-attention layer as a substitute for the original self-attention layer, which enhances model scalability. In our experiments with three representative table learning models equipped with our proposed layer, we illustrate that the layer effectively mitigates the oversmoothing problem and enhances the representation performance of the existing methods, outperforming the state-of-the-art table representation methods

Graph Convolutional Network with Connectivity Uncertainty for EEG-based Emotion Recognition

Automatic emotion recognition based on multichannel Electroencephalography (EEG) holds great potential in advancing human-computer interaction. However, several significant challenges persist in existing research on algorithmic emotion recognition. These challenges include the need for a robust model to effectively learn discriminative node attributes over long paths, the exploration of ambiguous topological information in EEG channels and effective frequency bands, and the mapping between intrinsic data qualities and provided labels. To address these challenges, this study introduces the distribution-based uncertainty method to represent spatial dependencies and temporal-spectral relativeness in EEG signals based on Graph Convolutional Network (GCN) architecture that adaptively assigns weights to functional aggregate node features, enabling effective long-path capturing while mitigating over-smoothing phenomena. Moreover, the graph mixup technique is employed to enhance latent connected edges and mitigate noisy label issues. Furthermore, we integrate the uncertainty learning method with deep GCN weights in a one-way learning fashion, termed Connectivity Uncertainty GCN (CU-GCN). We evaluate our approach on two widely used datasets, namely SEED and SEEDIV, for emotion recognition tasks. The experimental results demonstrate the superiority of our methodology over previous methods, yielding positive and significant improvements. Ablation studies confirm the substantial contributions of each component to the overall performance.Comment: 10 page

Low-rank and sparse matrix factorization for scientific paper recommendation in heterogeneous network

© 2013 IEEE. With the rapid growth of scientific publications, it is hard for researchers to acquire appropriate papers that meet their expectations. Recommendation system for scientific articles is an essential technology to overcome this problem. In this paper, we propose a novel low-rank and sparse matrix factorization-based paper recommendation (LSMFPRec) method for authors. The proposed method seamlessly combines low-rank and sparse matrix factorization method with fine-grained paper and author affinity matrixes that are extracted from heterogeneous scientific network. Thus, it can effectively alleviate the sparsity and cold start problems that exist in traditional matrix factorization based collaborative filtering methods. Moreover, LSMFPRec can significantly reduce the error propagated from intermediate outputs. In addition, the proposed method essentially captures the low-rank and sparse characteristics that exist in scientific rating activities; therefore, it can generate more reasonable predicted ratings for influential and uninfluential papers. The effectiveness of the proposed LSMFPRec is demonstrated by the recommendation evaluation conducted on the AAN and CiteULike data sets

Computational Labeling, Partitioning, and Balancing of Molecular Networks

Recent advances in high throughput techniques enable large-scale molecular quantification with high accuracy, including mRNAs, proteins and metabolites. Differential expression of these molecules in case and control samples provides a way to select phenotype-associated molecules with statistically significant changes. However, given the significance ranking list of molecular changes, how those molecules work together to drive phenotype formation is still unclear. In particular, the changes in molecular quantities are insufficient to interpret the changes in their functional behavior. My study is aimed at answering this question by integrating molecular network data to systematically model and estimate the changes of molecular functional behaviors. We build three computational models to label, partition, and balance molecular networks using modern machine learning techniques. (1) Due to the incompleteness of protein functional annotation, we develop AptRank, an adaptive PageRank model for protein function prediction on bilayer networks. By integrating Gene Ontology (GO) hierarchy with protein-protein interaction network, our AptRank outperforms four state-of-the-art methods in a comprehensive evaluation using benchmark datasets. (2) We next extend our AptRank into a network partitioning method, BioSweeper, to identify functional network modules in which molecules share similar functions and also densely connect to each other. Compared to traditional network partitioning methods using only network connections, BioSweeper, which integrates the GO hierarchy, can automatically identify functionally enriched network modules. (3) Finally, we conduct a differential interaction analysis, namely difFBA, on protein-protein interaction networks by simulating protein fluxes using flux balance analysis (FBA). We test difFBA using quantitative proteomic data from colon cancer, and demonstrate that difFBA offers more insights into functional changes in molecular behavior than does protein quantity changes alone. We conclude that our integrative network model increases the observational dimensions of complex biological systems, and enables us to more deeply understand the causal relationships between genotypes and phenotypes

Geometric Learning on Graph Structured Data

Graphs provide a ubiquitous and universal data structure that can be applied in many domains such as social networks, biology, chemistry, physics, and computer science. In this thesis we focus on two fundamental paradigms in graph learning: representation learning and similarity learning over graph-structured data. Graph representation learning aims to learn embeddings for nodes by integrating topological and feature information of a graph. Graph similarity learning brings into play with similarity functions that allow to compute similarity between pairs of graphs in a vector space. We address several challenging issues in these two paradigms, designing powerful, yet efficient and theoretical guaranteed machine learning models that can leverage rich topological structural properties of real-world graphs. This thesis is structured into two parts. In the first part of the thesis, we will present how to develop powerful Graph Neural Networks (GNNs) for graph representation learning from three different perspectives: (1) spatial GNNs, (2) spectral GNNs, and (3) diffusion GNNs. We will discuss the model architecture, representational power, and convergence properties of these GNN models. Specifically, we first study how to develop expressive, yet efficient and simple message-passing aggregation schemes that can go beyond the Weisfeiler-Leman test (1-WL). We propose a generalized message-passing framework by incorporating graph structural properties into an aggregation scheme. Then, we introduce a new local isomorphism hierarchy on neighborhood subgraphs. We further develop a novel neural model, namely GraphSNN, and theoretically prove that this model is more expressive than the 1-WL test. After that, we study how to build an effective and efficient graph convolution model with spectral graph filters. In this study, we propose a spectral GNN model, called DFNets, which incorporates a novel spectral graph filter, namely feedback-looped filters. As a result, this model can provide better localization on neighborhood while achieving fast convergence and linear memory requirements. Finally, we study how to capture the rich topological information of a graph using graph diffusion. We propose a novel GNN architecture with dynamic PageRank, based on a learnable transition matrix. We explore two variants of this GNN architecture: forward-euler solution and invariable feature solution, and theoretically prove that our forward-euler GNN architecture is guaranteed with the convergence to a stationary distribution. In the second part of this thesis, we will introduce a new optimal transport distance metric on graphs in a regularized learning framework for graph kernels. This optimal transport distance metric can preserve both local and global structures between graphs during the transport, in addition to preserving features and their local variations. Furthermore, we propose two strongly convex regularization terms to theoretically guarantee the convergence and numerical stability in finding an optimal assignment between graphs. One regularization term is used to regularize a Wasserstein distance between graphs in the same ground space. This helps to preserve the local clustering structure on graphs by relaxing the optimal transport problem to be a cluster-to-cluster assignment between locally connected vertices. The other regularization term is used to regularize a Gromov-Wasserstein distance between graphs across different ground spaces based on degree-entropy KL divergence. This helps to improve the matching robustness of an optimal alignment to preserve the global connectivity structure of graphs. We have evaluated our optimal transport-based graph kernel using different benchmark tasks. The experimental results show that our models considerably outperform all the state-of-the-art methods in all benchmark tasks

A discrete graph Laplacian for signal processing

In this thesis we exploit diffusion processes on graphs to effect two fundamental problems of image processing: denoising and segmentation. We treat these two low-level vision problems on the pixel-wise level under a unified framework: a graph embedding. Using this framework opens us up to the possibilities of exploiting recently introduced algorithms from the semi-supervised machine learning literature. We contribute two novel edge-preserving smoothing algorithms to the literature. Furthermore we apply these edge-preserving smoothing algorithms to some computational photography tasks. Many recent computational photography tasks require the decomposition of an image into a smooth base layer containing large scale intensity variations and a residual layer capturing fine details. Edge-preserving smoothing is the main computational mechanism in producing these multi-scale image representations. We, in effect, introduce a new approach to edge-preserving multi-scale image decompositions. Where as prior approaches such as the Bilateral filter and weighted-least squares methods require multiple parameters to tune the response of the filters our method only requires one. This parameter can be interpreted as a scale parameter. We demonstrate the utility of our approach by applying the method to computational photography tasks that utilise multi-scale image decompositions. With minimal modification to these edge-preserving smoothing algorithms we show that we can extend them to produce interactive image segmentation. As a result the operations of segmentation and denoising are conducted under a unified framework. Moreover we discuss how our method is related to region based active contours. We benchmark our proposed interactive segmentation algorithms against those based upon energy-minimisation, specifically graph-cut methods. We demonstrate that we achieve competitive performance