NodeMixup: Tackling Under-Reaching for Graph Neural Networks

Graph Neural Networks (GNNs) have become mainstream methods for solving the semi-supervised node classification problem. However, due to the uneven location distribution of labeled nodes in the graph, labeled nodes are only accessible to a small portion of unlabeled nodes, leading to the \emph{under-reaching} issue. In this study, we firstly reveal under-reaching by conducting an empirical investigation on various well-known graphs. Then, we demonstrate that under-reaching results in unsatisfactory distribution alignment between labeled and unlabeled nodes through systematic experimental analysis, significantly degrading GNNs' performance. To tackle under-reaching for GNNs, we propose an architecture-agnostic method dubbed NodeMixup. The fundamental idea is to (1) increase the reachability of labeled nodes by labeled-unlabeled pairs mixup, (2) leverage graph structures via fusing the neighbor connections of intra-class node pairs to improve performance gains of mixup, and (3) use neighbor label distribution similarity incorporating node degrees to determine sampling weights for node mixup. Extensive experiments demonstrate the efficacy of NodeMixup in assisting GNNs in handling under-reaching. The source code is available at \url{https://github.com/WeigangLu/NodeMixup}.

Hiformer: Heterogeneous Feature Interactions Learning with Transformers for Recommender Systems

Learning feature interaction is the critical backbone to building recommender systems. In web-scale applications, learning feature interaction is extremely challenging due to the sparse and large input feature space; meanwhile, manually crafting effective feature interactions is infeasible because of the exponential solution space. We propose to leverage a Transformer-based architecture with attention layers to automatically capture feature interactions. Transformer architectures have witnessed great success in many domains, such as natural language processing and computer vision. However, there has not been much adoption of Transformer architecture for feature interaction modeling in industry. We aim at closing the gap. We identify two key challenges for applying the vanilla Transformer architecture to web-scale recommender systems: (1) Transformer architecture fails to capture the heterogeneous feature interactions in the self-attention layer; (2) The serving latency of Transformer architecture might be too high to be deployed in web-scale recommender systems. We first propose a heterogeneous self-attention layer, which is a simple yet effective modification to the self-attention layer in Transformer, to take into account the heterogeneity of feature interactions. We then introduce \textsc{Hiformer} (\textbf{H}eterogeneous \textbf{I}nteraction Trans\textbf{former}) to further improve the model expressiveness. With low-rank approximation and model pruning, \hiformer enjoys fast inference for online deployment. Extensive offline experiment results corroborates the effectiveness and efficiency of the \textsc{Hiformer} model. We have successfully deployed the \textsc{Hiformer} model to a real world large scale App ranking model at Google Play, with significant improvement in key engagement metrics (up to +2.66\%).

Reliable Academic Conference Question Answering: A Study Based on Large Language Model

The rapid growth of computer science has led to a proliferation of research presented at academic conferences, fostering global scholarly communication. Researchers consistently seek accurate, current information about these events at all stages. This data surge necessitates an intelligent question-answering system to efficiently address researchers' queries and ensure awareness of the latest advancements. The information of conferences is usually published on their official website, organized in a semi-structured way with a lot of text. To address this need, we have developed the ConferenceQA dataset for 7 diverse academic conferences with human annotations. Firstly, we employ a combination of manual and automated methods to organize academic conference data in a semi-structured JSON format. Subsequently, we annotate nearly 100 question-answer pairs for each conference. Each pair is classified into four different dimensions. To ensure the reliability of the data, we manually annotate the source of each answer. In light of recent advancements, Large Language Models (LLMs) have demonstrated impressive performance in various NLP tasks. They have demonstrated impressive capabilities in information-seeking question answering after instruction fine-tuning, and as such, we present our conference QA study based on LLM. Due to hallucination and outdated knowledge of LLMs, we adopt retrieval based methods to enhance LLMs' question-answering abilities. We have proposed a structure-aware retrieval method, specifically designed to leverage inherent structural information during the retrieval process. Empirical validation on the ConferenceQA dataset has demonstrated the effectiveness of this method. The dataset and code are readily accessible on https://github.com/zjukg/ConferenceQA.

Asymmetric Co-Training with Explainable Cell Graph Ensembling for Histopathological Image Classification

Convolutional neural networks excel in histopathological image classification, yet their pixel-level focus hampers explainability. Conversely, emerging graph convolutional networks spotlight cell-level features and medical implications. However, limited by their shallowness and suboptimal use of high-dimensional pixel data, GCNs underperform in multi-class histopathological image classification. To make full use of pixel-level and cell-level features dynamically, we propose an asymmetric co-training framework combining a deep graph convolutional network and a convolutional neural network for multi-class histopathological image classification. To improve the explainability of the entire framework by embedding morphological and topological distribution of cells, we build a 14-layer deep graph convolutional network to handle cell graph data. For the further utilization and dynamic interactions between pixel-level and cell-level information, we also design a co-training strategy to integrate the two asymmetric branches. Notably, we collect a private clinically acquired dataset termed LUAD7C, including seven subtypes of lung adenocarcinoma, which is rare and more challenging. We evaluated our approach on the private LUAD7C and public colorectal cancer datasets, showcasing its superior performance, explainability, and generalizability in multi-class histopathological image classification.

A Comprehensive Study on Knowledge Graph Embedding over Relational Patterns Based on Rule Learning

Knowledge Graph Embedding (KGE) has proven to be an effective approach to solving the Knowledge Graph Completion (KGC) task. Relational patterns which refer to relations with specific semantics exhibiting graph patterns are an important factor in the performance of KGE models. Though KGE models' capabilities are analyzed over different relational patterns in theory and a rough connection between better relational patterns modeling and better performance of KGC has been built, a comprehensive quantitative analysis on KGE models over relational patterns remains absent so it is uncertain how the theoretical support of KGE to a relational pattern contributes to the performance of triples associated to such a relational pattern. To address this challenge, we evaluate the performance of 7 KGE models over 4 common relational patterns on 2 benchmarks, then conduct an analysis in theory, entity frequency, and part-to-whole three aspects and get some counterintuitive conclusions. Finally, we introduce a training-free method Score-based Patterns Adaptation (SPA) to enhance KGE models' performance over various relational patterns. This approach is simple yet effective and can be applied to KGE models without additional training. Our experimental results demonstrate that our method generally enhances performance over specific relational patterns. Our source code is available from GitHub at https://github.com/zjukg/Comprehensive-Study-over-Relational-Patterns.

Zero Stability Well Predicts Performance of Convolutional Neural Networks

The question of what kind of convolutional neural network (CNN) structure performs well is fascinating. In this work, we move toward the answer with one more step by connecting zero stability and model performance. Specifically, we found that if a discrete solver of an ordinary differential equation is zero stable, the CNN corresponding to that solver performs well. We first give the interpretation of zero stability in the context of deep learning and then investigate the performance of existing first- and second-order CNNs under different zero-stable circumstances. Based on the preliminary observation, we provide a higher-order discretization to construct CNNs and then propose a zero-stable network (ZeroSNet). To guarantee zero stability of the ZeroSNet, we first deduce a structure that meets consistency conditions and then give a zero stable region of a training-free parameter. By analyzing the roots of a characteristic equation, we theoretically obtain the optimal coefficients of feature maps. Empirically, we present our results from three aspects: We provide extensive empirical evidence of different depth on different datasets to show that the moduli of the characteristic equation's roots are the keys for the performance of CNNs that require historical features; Our experiments show that ZeroSNet outperforms existing CNNs which is based on high-order discretization; ZeroSNets show better robustness against noises on the input. The source code is available at \url{https://github.com/LongJin-lab/ZeroSNet}.

Decoupling the Depth and Scope of Graph Neural Networks

State-of-the-art Graph Neural Networks (GNNs) have limited scalability with respect to the graph and model sizes. On large graphs, increasing the model depth often means exponential expansion of the scope (i.e., receptive field). Beyond just a few layers, two fundamental challenges emerge: 1. degraded expressivity due to oversmoothing, and 2. expensive computation due to neighborhood explosion. We propose a design principle to decouple the depth and scope of GNNs -- to generate representation of a target entity (i.e., a node or an edge), we first extract a localized subgraph as the bounded-size scope, and then apply a GNN of arbitrary depth on top of the subgraph. A properly extracted subgraph consists of a small number of critical neighbors, while excluding irrelevant ones. The GNN, no matter how deep it is, smooths the local neighborhood into informative representation rather than oversmoothing the global graph into "white noise". Theoretically, decoupling improves the GNN expressive power from the perspectives of graph signal processing (GCN), function approximation (GraphSAGE) and topological learning (GIN). Empirically, on seven graphs (with up to 110M nodes) and six backbone GNN architectures, our design achieves significant accuracy improvement with orders of magnitude reduction in computation and hardware cost.

Residual-Based Adaptive Coefficient and Noise-Immunity ZNN for Perturbed Time-Dependent Quadratic Minimization

The time-dependent quadratic minimization (TDQM) problem appears in many applications and research projects. It has been reported that the zeroing neural network (ZNN) models can effectively solve the TDQM problem. However, the convergent and robust performance of the existing ZNN models are restricted for lack of a joint-action mechanism of adaptive coefficient and integration enhanced term. Consequently, the residual-based adaption coefficient zeroing neural network (RACZNN) model with integration term is proposed in this paper for solving the TDQM problem. The adaptive coefficient is proposed to improve the performance of convergence and the integration term is embedded to ensure the RACZNN model can maintain reliable robustness while perturbed by variant measurement noises. Compared with the state-of-the-art models, the proposed RACZNN model owns faster convergence and more reliable robustness. Then, theorems are provided to prove the convergence of the RACZNN model. Finally, corresponding quantitative numerical experiments are designed and performed in this paper to verify the performance of the proposed RACZNN model.

Activated Gradients for Deep Neural Networks

Deep neural networks often suffer from poor performance or even training failure due to the ill-conditioned problem, the vanishing/exploding gradient problem, and the saddle point problem. In this paper, a novel method by acting the gradient activation function (GAF) on the gradient is proposed to handle these challenges. Intuitively, the GAF enlarges the tiny gradients and restricts the large gradient. Theoretically, this paper gives conditions that the GAF needs to meet, and on this basis, proves that the GAF alleviates the problems mentioned above. In addition, this paper proves that the convergence rate of SGD with the GAF is faster than that without the GAF under some assumptions. Furthermore, experiments on CIFAR, ImageNet, and PASCAL visual object classes confirm the GAF's effectiveness. The experimental results also demonstrate that the proposed method is able to be adopted in various deep neural networks to improve their performance. The source code is publicly available at https://github.com/LongJin-lab/Activated-Gradients-for-Deep-Neural-Networks.

Deep Graph Neural Networks with Shallow Subgraph Samplers

While Graph Neural Networks (GNNs) are powerful models for learning representations on graphs, most state-of-the-art models do not have significant accuracy gain beyond two to three layers. Deep GNNs fundamentally need to address: 1). expressivity challenge due to oversmoothing, and 2). computation challenge due to neighborhood explosion. We propose a simple "deep GNN, shallow sampler" design principle to improve both the GNN accuracy and efficiency -- to generate representation of a target node, we use a deep GNN to pass messages only within a shallow, localized subgraph. A properly sampled subgraph may exclude irrelevant or even noisy nodes, and still preserve the critical neighbor features and graph structures. The deep GNN then smooths the informative local signals to enhance feature learning, rather than oversmoothing the global graph signals into just "white noise". We theoretically justify why the combination of deep GNNs with shallow samplers yields the best learning performance. We then propose various sampling algorithms and neural architecture extensions to achieve good empirical results. Experiments on five large graphs show that our models achieve significantly higher accuracy and efficiency, compared with state-of-the-art.