arXiv subjects

Toyotaro Suzumura

Publications and source records attributed to Toyotaro Suzumura.

At least 37 records · Page 2Linked to original sources

arXiv2024

Beyond Spatio-Temporal Representations: Evolving Fourier Transform for Temporal Graphs

We present the Evolving Graph Fourier Transform (EFT), the first invertible spectral transform that captures evolving representations on temporal graphs. We motivate our work by the inadequacy of existing methods for capturing the evolving graph spectra, which are also computationally expensive due to the temporal aspect along with the graph vertex domain. We view the problem as an optimization over the Laplacian of the continuous time dynamic graph. Additionally, we propose pseudo-spectrum relaxations that decompose the transformation process, making it highly computationally efficient. The EFT method adeptly captures the evolving graph's structural and positional properties, making it effective for downstream tasks on evolving graphs. Hence, as a reference implementation, we develop a simple neural model induced with EFT for capturing evolving graph spectra. We empirically validate our theoretical findings on a number of large-scale and standard temporal graph benchmarks and demonstrate that our model achieves state-of-the-art performance.

cs.LG↗

arXiv2023

Revisiting Mobility Modeling with Graph: A Graph Transformer Model for Next Point-of-Interest Recommendation

Next Point-of-Interest (POI) recommendation plays a crucial role in urban mobility applications. Recently, POI recommendation models based on Graph Neural Networks (GNN) have been extensively studied and achieved, however, the effective incorporation of both spatial and temporal information into such GNN-based models remains challenging. Extracting distinct fine-grained features unique to each piece of information is difficult since temporal information often includes spatial information, as users tend to visit nearby POIs. To address the challenge, we propose \textbf{\underline{Mob}}ility \textbf{\underline{G}}raph \textbf{\underline{T}}ransformer (MobGT) that enables us to fully leverage graphs to capture both the spatial and temporal features in users' mobility patterns. MobGT combines individual spatial and temporal graph encoders to capture unique features and global user-location relations. Additionally, it incorporates a mobility encoder based on Graph Transformer to extract higher-order information between POIs. To address the long-tailed problem in spatial-temporal data, MobGT introduces a novel loss function, Tail Loss. Experimental results demonstrate that MobGT outperforms state-of-the-art models on various datasets and metrics, achieving 24\% improvement on average. Our codes are available at \url{https://github.com/Yukayo/MobGT}.

cs.LG↗

arXiv2023

Going Beyond Local: Global Graph-Enhanced Personalized News Recommendations

Precisely recommending candidate news articles to users has always been a core challenge for personalized news recommendation systems. Most recent works primarily focus on using advanced natural language processing techniques to extract semantic information from rich textual data, employing content-based methods derived from local historical news. However, this approach lacks a global perspective, failing to account for users' hidden motivations and behaviors beyond semantic information. To address this challenge, we propose a novel model called GLORY (Global-LOcal news Recommendation sYstem), which combines global representations learned from other users with local representations to enhance personalized recommendation systems. We accomplish this by constructing a Global-aware Historical News Encoder, which includes a global news graph and employs gated graph neural networks to enrich news representations, thereby fusing historical news representations by a historical news aggregator. Similarly, we extend this approach to a Global Candidate News Encoder, utilizing a global entity graph and a candidate news aggregator to enhance candidate news representation. Evaluation results on two public news datasets demonstrate that our method outperforms existing approaches. Furthermore, our model offers more diverse recommendations.

cs.IR↗

arXiv2023

On Data Imbalance in Molecular Property Prediction with Pre-training

Revealing and analyzing the various properties of materials is an essential and critical issue in the development of materials, including batteries, semiconductors, catalysts, and pharmaceuticals. Traditionally, these properties have been determined through theoretical calculations and simulations. However, it is not practical to perform such calculations on every single candidate material. Recently, a combination method of the theoretical calculation and machine learning has emerged, that involves training machine learning models on a subset of theoretical calculation results to construct a surrogate model that can be applied to the remaining materials. On the other hand, a technique called pre-training is used to improve the accuracy of machine learning models. Pre-training involves training the model on pretext task, which is different from the target task, before training the model on the target task. This process aims to extract the input data features, stabilizing the learning process and improving its accuracy. However, in the case of molecular property prediction, there is a strong imbalance in the distribution of input data and features, which may lead to biased learning towards frequently occurring data during pre-training. In this study, we propose an effective pre-training method that addresses the imbalance in input data. We aim to improve the final accuracy by modifying the loss function of the existing representative pre-training method, node masking, to compensate the imbalance. We have investigated and assessed the impact of our proposed imbalance compensation on pre-training and the final prediction accuracy through experiments and evaluations using benchmark of molecular property prediction models.

cs.LG↗

arXiv2023

Is Self-Supervised Pretraining Good for Extrapolation in Molecular Property Prediction?

The prediction of material properties plays a crucial role in the development and discovery of materials in diverse applications, such as batteries, semiconductors, catalysts, and pharmaceuticals. Recently, there has been a growing interest in employing data-driven approaches by using machine learning technologies, in combination with conventional theoretical calculations. In material science, the prediction of unobserved values, commonly referred to as extrapolation, is particularly critical for property prediction as it enables researchers to gain insight into materials beyond the limits of available data. However, even with the recent advancements in powerful machine learning models, accurate extrapolation is still widely recognized as a significantly challenging problem. On the other hand, self-supervised pretraining is a machine learning technique where a model is first trained on unlabeled data using relatively simple pretext tasks before being trained on labeled data for target tasks. As self-supervised pretraining can effectively utilize material data without observed property values, it has the potential to improve the model's extrapolation ability. In this paper, we clarify how such self-supervised pretraining can enhance extrapolation performance.We propose an experimental framework for the demonstration and empirically reveal that while models were unable to accurately extrapolate absolute property values, self-supervised pretraining enables them to learn relative tendencies of unobserved property values and improve extrapolation performance.

cs.LG↗

arXiv2023

MegaCRN: Meta-Graph Convolutional Recurrent Network for Spatio-Temporal Modeling

Spatio-temporal modeling as a canonical task of multivariate time series forecasting has been a significant research topic in AI community. To address the underlying heterogeneity and non-stationarity implied in the graph streams, in this study, we propose Spatio-Temporal Meta-Graph Learning as a novel Graph Structure Learning mechanism on spatio-temporal data. Specifically, we implement this idea into Meta-Graph Convolutional Recurrent Network (MegaCRN) by plugging the Meta-Graph Learner powered by a Meta-Node Bank into GCRN encoder-decoder. We conduct a comprehensive evaluation on two benchmark datasets (METR-LA and PEMS-BAY) and a large-scale spatio-temporal dataset that contains a variaty of non-stationary phenomena. Our model outperformed the state-of-the-arts to a large degree on all three datasets (over 27% MAE and 34% RMSE). Besides, through a series of qualitative evaluations, we demonstrate that our model can explicitly disentangle locations and time slots with different patterns and be robustly adaptive to different anomalous situations. Codes and datasets are available at https://github.com/deepkashiwa20/MegaCRN.

cs.LG↗

arXiv2023

Exploring 360-Degree View of Customers for Lookalike Modeling

Lookalike models are based on the assumption that user similarity plays an important role towards product selling and enhancing the existing advertising campaigns from a very large user base. Challenges associated to these models reside on the heterogeneity of the user base and its sparsity. In this work, we propose a novel framework that unifies the customers different behaviors or features such as demographics, buying behaviors on different platforms, customer loyalty behaviors and build a lookalike model to improve customer targeting for Rakuten Group, Inc. Extensive experiments on real e-commerce and travel datasets demonstrate the effectiveness of our proposed lookalike model for user targeting task.

cs.IR↗

arXiv2023

Spatio-Temporal Meta-Graph Learning for Traffic Forecasting

Traffic forecasting as a canonical task of multivariate time series forecasting has been a significant research topic in AI community. To address the spatio-temporal heterogeneity and non-stationarity implied in the traffic stream, in this study, we propose Spatio-Temporal Meta-Graph Learning as a novel Graph Structure Learning mechanism on spatio-temporal data. Specifically, we implement this idea into Meta-Graph Convolutional Recurrent Network (MegaCRN) by plugging the Meta-Graph Learner powered by a Meta-Node Bank into GCRN encoder-decoder. We conduct a comprehensive evaluation on two benchmark datasets (i.e., METR-LA and PEMS-BAY) and a new large-scale traffic speed dataset called EXPY-TKY that covers 1843 expressway road links in Tokyo. Our model outperformed the state-of-the-arts on all three datasets. Besides, through a series of qualitative evaluations, we demonstrate that our model can explicitly disentangle the road links and time slots with different patterns and be robustly adaptive to any anomalous traffic situations. Codes and datasets are available at https://github.com/deepkashiwa20/MegaCRN.

cs.LG↗

arXiv2023

BOTAN: BOnd TArgeting Network for prediction of slow glassy dynamics by machine learning relative motion

Recent developments in machine learning have enabled accurate predictions of the dynamics of slow structural relaxation in glass-forming systems. However, existing machine-learning models for these tasks are mostly designed such that they learn a single dynamic quantity and relate it to the structural features of glassy liquids. In this study, we propose a graph neural network model, ``BOnd TArgeting Network (BOTAN)'', that learns relative motion between neighboring pairs of particles, in addition to the self-motion of particles. By relating the structural features to these two different dynamical variables, the model autonomously acquires the ability to discern how different dynamical processes, strain fluctuations and particle rearrangements, affect the self-motion of particles undergoing slow relaxation, and thus can predict with high precision how slow structural relaxation develops in space and time.

cond-mat.dis-nn↗

arXiv2023

Can Persistent Homology provide an efficient alternative for Evaluation of Knowledge Graph Completion Methods?

In this paper we present a novel method, $\textit{Knowledge Persistence}$ ($\mathcal{KP}$), for faster evaluation of Knowledge Graph (KG) completion approaches. Current ranking-based evaluation is quadratic in the size of the KG, leading to long evaluation times and consequently a high carbon footprint. $\mathcal{KP}$ addresses this by representing the topology of the KG completion methods through the lens of topological data analysis, concretely using persistent homology. The characteristics of persistent homology allow $\mathcal{KP}$ to evaluate the quality of the KG completion looking only at a fraction of the data. Experimental results on standard datasets show that the proposed metric is highly correlated with ranking metrics (Hits@N, MR, MRR). Performance evaluation shows that $\mathcal{KP}$ is computationally efficient: In some cases, the evaluation time (validation+test) of a KG completion method has been reduced from 18 hours (using Hits@10) to 27 seconds (using $\mathcal{KP}$), and on average (across methods & data) reduces the evaluation time (validation+test) by $\approx$ $\textbf{99.96}\%$.

cs.LG↗

arXiv2022

Learnable Spectral Wavelets on Dynamic Graphs to Capture Global Interactions

Learning on evolving(dynamic) graphs has caught the attention of researchers as static methods exhibit limited performance in this setting. The existing methods for dynamic graphs learn spatial features by local neighborhood aggregation, which essentially only captures the low pass signals and local interactions. In this work, we go beyond current approaches to incorporate global features for effectively learning representations of a dynamically evolving graph. We propose to do so by capturing the spectrum of the dynamic graph. Since static methods to learn the graph spectrum would not consider the history of the evolution of the spectrum as the graph evolves with time, we propose a novel approach to learn the graph wavelets to capture this evolving spectra. Further, we propose a framework that integrates the dynamically captured spectra in the form of these learnable wavelets into spatial features for incorporating local and global interactions. Experiments on eight standard datasets show that our method significantly outperforms related methods on various tasks for dynamic graphs.

cs.LG↗

arXiv2022

How Expressive are Transformers in Spectral Domain for Graphs?

The recent works proposing transformer-based models for graphs have proven the inadequacy of Vanilla Transformer for graph representation learning. To understand this inadequacy, there is a need to investigate if spectral analysis of the transformer will reveal insights into its expressive power. Similar studies already established that spectral analysis of Graph neural networks (GNNs) provides extra perspectives on their expressiveness. In this work, we systematically study and establish the link between the spatial and spectral domain in the realm of the transformer. We further provide a theoretical analysis and prove that the spatial attention mechanism in the transformer cannot effectively capture the desired frequency response, thus, inherently limiting its expressiveness in spectral space. Therefore, we propose FeTA, a framework that aims to perform attention over the entire graph spectrum (i.e., actual frequency components of the graphs) analogous to the attention in spatial space. Empirical results suggest that FeTA provides homogeneous performance gain against vanilla transformer across all tasks on standard benchmarks and can easily be extended to GNN-based models with low-pass characteristics (e.g., GAT).

cs.LG↗

arXiv2022

Ethereum Fraud Detection with Heterogeneous Graph Neural Networks

While transactions with cryptocurrencies such as Ethereum are becoming more prevalent, fraud and other criminal transactions are not uncommon. Graph analysis algorithms and machine learning techniques detect suspicious transactions that lead to phishing in large transaction networks. Many graph neural network (GNN) models have been proposed to apply deep learning techniques to graph structures. Although there is research on phishing detection using GNN models in the Ethereum transaction network, models that address the scale of the number of vertices and edges and the imbalance of labels have not yet been studied. In this paper, we compared the model performance of GNN models on the actual Ethereum transaction network dataset and phishing reported label data to exhaustively compare and verify which GNN models and hyperparameters produce the best accuracy. Specifically, we evaluated the model performance of representative homogeneous GNN models which consider single-type nodes and edges and heterogeneous GNN models which support different types of nodes and edges. We showed that heterogeneous models had better model performance than homogeneous models. In particular, the RGCN model achieved the best performance in the overall metrics.

cs.LG↗

arXiv2022

KQGC: Knowledge Graph Embedding with Smoothing Effects of Graph Convolutions for Recommendation

Leveraging graphs on recommender systems has gained popularity with the development of graph representation learning (GRL). In particular, knowledge graph embedding (KGE) and graph neural networks (GNNs) are representative GRL approaches, which have achieved the state-of-the-art performance on several recommendation tasks. Furthermore, combination of KGE and GNNs (KG-GNNs) has been explored and found effective in many academic literatures. One of the main characteristics of GNNs is their ability to retain structural properties among neighbors in the resulting dense representation, which is usually coined as smoothing. The smoothing is specially desired in the presence of homophilic graphs, such as the ones we find on recommender systems. In this paper, we propose a new model for recommender systems named Knowledge Query-based Graph Convolution (KQGC). In contrast to exisiting KG-GNNs, KQGC focuses on the smoothing, and leverages a simple linear graph convolution for smoothing KGE. A pre-trained KGE is fed into KQGC, and it is smoothed by aggregating neighbor knowledge queries, which allow entity-embeddings to be aligned on appropriate vector points for smoothing KGE effectively. We apply the proposed KQGC to a recommendation task that aims prospective users for specific products. Extensive experiments on a real E-commerce dataset demonstrate the effectiveness of KQGC.

cs.IR↗

arXiv2022

LiGCN: Label-interpretable Graph Convolutional Networks for Multi-label Text Classification

Multi-label text classification (MLTC) is an attractive and challenging task in natural language processing (NLP). Compared with single-label text classification, MLTC has a wider range of applications in practice. In this paper, we propose a label-interpretable graph convolutional network model to solve the MLTC problem by modeling tokens and labels as nodes in a heterogeneous graph. In this way, we are able to take into account multiple relationships including token-level relationships. Besides, the model allows better interpretability for predicted labels as the token-label edges are exposed. We evaluate our method on four real-world datasets and it achieves competitive scores against selected baseline methods. Specifically, this model achieves a gain of 0.14 on the F1 score in the small label set MLTC, and 0.07 in the large label set scenario.

cs.CL↗

arXiv2022

mdx: A Cloud Platform for Supporting Data Science and Cross-Disciplinary Research Collaborations

The growing amount of data and advances in data science have created a need for a new kind of cloud platform that provides users with flexibility, strong security, and the ability to couple with supercomputers and edge devices through high-performance networks. We have built such a nation-wide cloud platform, called "mdx" to meet this need. The mdx platform's virtualization service, jointly operated by 9 national universities and 2 national research institutes in Japan, launched in 2021, and more features are in development. Currently mdx is used by researchers in a wide variety of domains, including materials informatics, geo-spatial information science, life science, astronomical science, economics, social science, and computer science. This paper provides an the overview of the mdx platform, details the motivation for its development, reports its current status, and outlines its future plans.

cs.LG↗

arXiv2021

Benchmarking Graph Data Management and Processing Systems: A Survey

The development of scalable, representative, and widely adopted benchmarks for graph data systems have been a question for which answers has been sought for decades. We conduct an in-depth study of the existing literature on benchmarks for graph data management and processing, covering 20 different benchmarks developed during the last 15 years. We categorize the benchmarks into three areas focusing on benchmarks for graph processing systems, graph database benchmarks, and bigdata benchmarks with graph processing workloads. This systematic approach allows us to identify multiple issues existing in this area, including i) few benchmarks exist which can produce high workload scenarios, ii) no significant work done on benchmarking graph stream processing as well as graph based machine learning, iii) benchmarks tend to use conventional metrics despite new meaningful metrics have been around for years, iv) increasing number of big data benchmarks appear with graph processing workloads. Following these observations, we conclude the survey by describing key challenges for future research on graph data systems benchmarking.

cs.DC↗

arXiv2021

Efficient Scaling of Dynamic Graph Neural Networks

We present distributed algorithms for training dynamic Graph Neural Networks (GNN) on large scale graphs spanning multi-node, multi-GPU systems. To the best of our knowledge, this is the first scaling study on dynamic GNN. We devise mechanisms for reducing the GPU memory usage and identify two execution time bottlenecks: CPU-GPU data transfer; and communication volume. Exploiting properties of dynamic graphs, we design a graph difference-based strategy to significantly reduce the transfer time. We develop a simple, but effective data distribution technique under which the communication volume remains fixed and linear in the input size, for any number of GPUs. Our experiments using billion-size graphs on a system of 128 GPUs shows that: (i) the distribution scheme achieves up to 30x speedup on 128 GPUs; (ii) the graph-difference technique reduces the transfer time by a factor of up to 4.1x and the overall execution time by up to 40%

cs.DC↗