Distributionally Robust Graph-based Recommendation System

With the capacity to capture high-order collaborative signals, Graph Neural Networks (GNNs) have emerged as powerful methods in Recommender Systems (RS). However, their efficacy often hinges on the assumption that training and testing data share the same distribution (a.k.a. IID assumption), and exhibits significant declines under distribution shifts. Distribution shifts commonly arises in RS, often attributed to the dynamic nature of user preferences or ubiquitous biases during data collection in RS. Despite its significance, researches on GNN-based recommendation against distribution shift are still sparse. To bridge this gap, we propose Distributionally Robust GNN (DR-GNN) that incorporates Distributional Robust Optimization (DRO) into the GNN-based recommendation. DR-GNN addresses two core challenges: 1) To enable DRO to cater to graph data intertwined with GNN, we reinterpret GNN as a graph smoothing regularizer, thereby facilitating the nuanced application of DRO; 2) Given the typically sparse nature of recommendation data, which might impede robust optimization, we introduce slight perturbations in the training distribution to expand its support. Notably, while DR-GNN involves complex optimization, it can be implemented easily and efficiently. Our extensive experiments validate the effectiveness of DR-GNN against three typical distribution shifts. The code is available at https://github.com/WANGBohaO-jpg/DR-GNN.

Knowledge Translation: A New Pathway for Model Compression

Deep learning has witnessed significant advancements in recent years at the cost of increasing training, inference, and model storage overhead. While existing model compression methods strive to reduce the number of model parameters while maintaining high accuracy, they inevitably necessitate the re-training of the compressed model or impose architectural constraints. To overcome these limitations, this paper presents a novel framework, termed \textbf{K}nowledge \textbf{T}ranslation (KT), wherein a ``translation'' model is trained to receive the parameters of a larger model and generate compressed parameters. The concept of KT draws inspiration from language translation, which effectively employs neural networks to convert different languages, maintaining identical meaning. Accordingly, we explore the potential of neural networks to convert models of disparate sizes, while preserving their functionality. We propose a comprehensive framework for KT, introduce data augmentation strategies to enhance model performance despite restricted training data, and successfully demonstrate the feasibility of KT on the MNIST dataset. Code is available at \url{https://github.com/zju-SWJ/KT}.

Fast ODE-based Sampling for Diffusion Models in Around 5 Steps

Sampling from diffusion models can be treated as solving the corresponding ordinary differential equations (ODEs), with the aim of obtaining an accurate solution with as few number of function evaluations (NFE) as possible. Recently, various fast samplers utilizing higher-order ODE solvers have emerged and achieved better performance than the initial first-order one. However, these numerical methods inherently result in certain approximation errors, which significantly degrades sample quality with extremely small NFE (e.g., around 5). In contrast, based on the geometric observation that each sampling trajectory almost lies in a two-dimensional subspace embedded in the ambient space, we propose Approximate MEan-Direction Solver (AMED-Solver) that eliminates truncation errors by directly learning the mean direction for fast diffusion sampling. Besides, our method can be easily used as a plugin to further improve existing ODE-based samplers. Extensive experiments on image synthesis with the resolution ranging from 32 to 256 demonstrate the effectiveness of our method. With only 5 NFE, we achieve 7.14 FID on CIFAR-10, 13.75 FID on ImageNet 64$\times$64, and 12.79 FID on LSUN Bedroom. Our code is available at https://github.com/zhyzhouu/amed-solver.

CDR: Conservative Doubly Robust Learning for Debiased Recommendation

In recommendation systems (RS), user behavior data is observational rather than experimental, resulting in widespread bias in the data. Consequently, tackling bias has emerged as a major challenge in the field of recommendation systems. Recently, Doubly Robust Learning (DR) has gained significant attention due to its remarkable performance and robust properties. However, our experimental findings indicate that existing DR methods are severely impacted by the presence of so-called Poisonous Imputation, where the imputation significantly deviates from the truth and becomes counterproductive. To address this issue, this work proposes Conservative Doubly Robust strategy (CDR) which filters imputations by scrutinizing their mean and variance. Theoretical analyses show that CDR offers reduced variance and improved tail bounds.In addition, our experimental investigations illustrate that CDR significantly enhances performance and can indeed reduce the frequency of poisonous imputation.

Graph Neural Networks-based Hybrid Framework For Predicting Particle Crushing Strength

Graph Neural Networks have emerged as an effective machine learning tool for multi-disciplinary tasks such as pharmaceutical molecule classification and chemical reaction prediction, because they can model non-euclidean relationships between different entities. Particle crushing, as a significant field of civil engineering, describes the breakage of granular materials caused by the breakage of particle fragment bonds under the modeling of numerical simulations, which motivates us to characterize the mechanical behaviors of particle crushing through the connectivity of particle fragments with Graph Neural Networks (GNNs). However, there lacks an open-source large-scale particle crushing dataset for research due to the expensive costs of laboratory tests or numerical simulations. Therefore, we firstly generate a dataset with 45,000 numerical simulations and 900 particle types to facilitate the research progress of machine learning for particle crushing. Secondly, we devise a hybrid framework based on GNNs to predict particle crushing strength in a particle fragment view with the advances of state of the art GNNs. Finally, we compare our hybrid framework against traditional machine learning methods and the plain MLP to verify its effectiveness. The usefulness of different features is further discussed through the gradient attribution explanation w.r.t the predictions. Our data and code are released at https://github.com/doujiang-zheng/GNN-For-Particle-Crushing.

OpenGSL: A Comprehensive Benchmark for Graph Structure Learning

Graph Neural Networks (GNNs) have emerged as the de facto standard for representation learning on graphs, owing to their ability to effectively integrate graph topology and node attributes. However, the inherent suboptimal nature of node connections, resulting from the complex and contingent formation process of graphs, presents significant challenges in modeling them effectively. To tackle this issue, Graph Structure Learning (GSL), a family of data-centric learning approaches, has garnered substantial attention in recent years. The core concept behind GSL is to jointly optimize the graph structure and the corresponding GNN models. Despite the proposal of numerous GSL methods, the progress in this field remains unclear due to inconsistent experimental protocols, including variations in datasets, data processing techniques, and splitting strategies. In this paper, we introduce OpenGSL, the first comprehensive benchmark for GSL, aimed at addressing this gap. OpenGSL enables a fair comparison among state-of-the-art GSL methods by evaluating them across various popular datasets using uniform data processing and splitting strategies. Through extensive experiments, we observe that existing GSL methods do not consistently outperform vanilla GNN counterparts. However, we do observe that the learned graph structure demonstrates a strong generalization ability across different GNN backbones, despite its high computational and space requirements. We hope that our open-sourced library will facilitate rapid and equitable evaluation and inspire further innovative research in the field of GSL. The code of the benchmark can be found in https://github.com/OpenGSL/OpenGSL.

A Geometric Perspective on Diffusion Models

Recent years have witnessed significant progress in developing efficient training and fast sampling approaches for diffusion models. A recent remarkable advancement is the use of stochastic differential equations (SDEs) to describe data perturbation and generative modeling in a unified mathematical framework. In this paper, we reveal several intriguing geometric structures of diffusion models and contribute a simple yet powerful interpretation to their sampling dynamics. Through carefully inspecting a popular variance-exploding SDE and its marginal-preserving ordinary differential equation (ODE) for sampling, we discover that the data distribution and the noise distribution are smoothly connected with an explicit, quasi-linear sampling trajectory, and another implicit denoising trajectory, which even converges faster in terms of visual quality. We also establish a theoretical relationship between the optimal ODE-based sampling and the classic mean-shift (mode-seeking) algorithm, with which we can characterize the asymptotic behavior of diffusion models and identify the score deviation. These new geometric observations enable us to improve previous sampling algorithms, re-examine latent interpolation, as well as re-explain the working principles of distillation-based fast sampling techniques.

Temporal Aggregation and Propagation Graph Neural Networks for Dynamic Representation

Temporal graphs exhibit dynamic interactions between nodes over continuous time, whose topologies evolve with time elapsing. The whole temporal neighborhood of nodes reveals the varying preferences of nodes. However, previous works usually generate dynamic representation with limited neighbors for simplicity, which results in both inferior performance and high latency of online inference. Therefore, in this paper, we propose a novel method of temporal graph convolution with the whole neighborhood, namely Temporal Aggregation and Propagation Graph Neural Networks (TAP-GNN). Specifically, we firstly analyze the computational complexity of the dynamic representation problem by unfolding the temporal graph in a message-passing paradigm. The expensive complexity motivates us to design the AP (aggregation and propagation) block, which significantly reduces the repeated computation of historical neighbors. The final TAP-GNN supports online inference in the graph stream scenario, which incorporates the temporal information into node embeddings with a temporal activation function and a projection layer besides several AP blocks. Experimental results on various real-life temporal networks show that our proposed TAP-GNN outperforms existing temporal graph methods by a large margin in terms of both predictive performance and online inference latency. Our code is available at \url{https://github.com/doujiang-zheng/TAP-GNN}.

Transition Propagation Graph Neural Networks for Temporal Networks

Researchers of temporal networks (e.g., social networks and transaction networks) have been interested in mining dynamic patterns of nodes from their diverse interactions. Inspired by recently powerful graph mining methods like skip-gram models and Graph Neural Networks (GNNs), existing approaches focus on generating temporal node embeddings sequentially with nodes' sequential interactions. However, the sequential modeling of previous approaches cannot handle the transition structure between nodes' neighbors with limited memorization capacity. Detailedly, an effective method for the transition structures is required to both model nodes' personalized patterns adaptively and capture node dynamics accordingly. In this paper, we propose a method, namely Transition Propagation Graph Neural Networks (TIP-GNN), to tackle the challenges of encoding nodes' transition structures. The proposed TIP-GNN focuses on the bilevel graph structure in temporal networks: besides the explicit interaction graph, a node's sequential interactions can also be constructed as a transition graph. Based on the bilevel graph, TIP-GNN further encodes transition structures by multi-step transition propagation and distills information from neighborhoods by a bilevel graph convolution. Experimental results over various temporal networks reveal the efficiency of our TIP-GNN, with at most 7.2\% improvements of accuracy on temporal link prediction. Extensive ablation studies further verify the effectiveness and limitations of the transition propagation module. Our code is available at \url{https://github.com/doujiang-zheng/TIP-GNN}.

Robust Sequence Networked Submodular Maximization

In this paper, we study the \underline{R}obust \underline{o}ptimization for \underline{se}quence \underline{Net}worked \underline{s}ubmodular maximization (RoseNets) problem. We interweave the robust optimization with the sequence networked submodular maximization. The elements are connected by a directed acyclic graph and the objective function is not submodular on the elements but on the edges in the graph. Under such networked submodular scenario, the impact of removing an element from a sequence depends both on its position in the sequence and in the network. This makes the existing robust algorithms inapplicable. In this paper, we take the first step to study the RoseNets problem. We design a robust greedy algorithm, which is robust against the removal of an arbitrary subset of the selected elements. The approximation ratio of the algorithm depends both on the number of the removed elements and the network topology. We further conduct experiments on real applications of recommendation and link prediction. The experimental results demonstrate the effectiveness of the proposed algorithm.