arXiv subjects

Quanming Yao

Publications and source records attributed to Quanming Yao.

At least 91 records · Page 5Linked to original sources

arXiv2022

Searching a High-Performance Feature Extractor for Text Recognition Network

Feature extractor plays a critical role in text recognition (TR), but customizing its architecture is relatively less explored due to expensive manual tweaking. In this work, inspired by the success of neural architecture search (NAS), we propose to search for suitable feature extractors. We design a domain-specific search space by exploring principles for having good feature extractors. The space includes a 3D-structured space for the spatial model and a transformed-based space for the sequential model. As the space is huge and complexly structured, no existing NAS algorithms can be applied. We propose a two-stage algorithm to effectively search in the space. In the first stage, we cut the space into several blocks and progressively train each block with the help of an auxiliary head. We introduce the latency constraint into the second stage and search sub-network from the trained supernet via natural gradient descent. In experiments, a series of ablation studies are performed to better understand the designed space, search algorithm, and searched architectures. We also compare the proposed method with various state-of-the-art ones on both hand-written and scene TR tasks. Extensive results show that our approach can achieve better recognition performance with less latency.

cs.CV↗

arXiv2022

DisenHCN: Disentangled Hypergraph Convolutional Networks for Spatiotemporal Activity Prediction

Spatiotemporal activity prediction, aiming to predict user activities at a specific location and time, is crucial for applications like urban planning and mobile advertising. Existing solutions based on tensor decomposition or graph embedding suffer from the following two major limitations: 1) ignoring the fine-grained similarities of user preferences; 2) user's modeling is entangled. In this work, we propose a hypergraph neural network model called DisenHCN to bridge the above gaps. In particular, we first unify the fine-grained user similarity and the complex matching between user preferences and spatiotemporal activity into a heterogeneous hypergraph. We then disentangle the user representations into different aspects (location-aware, time-aware, and activity-aware) and aggregate corresponding aspect's features on the constructed hypergraph, capturing high-order relations from different aspects and disentangles the impact of each aspect for final prediction. Extensive experiments show that our DisenHCN outperforms the state-of-the-art methods by 14.23% to 18.10% on four real-world datasets. Further studies also convincingly verify the rationality of each component in our DisenHCN.

cs.LG↗

arXiv2022

AutoWeird: Weird Translational Scoring Function Identified by Random Search

Scoring function (SF) measures the plausibility of triplets in knowledge graphs. Different scoring functions can lead to huge differences in link prediction performances on different knowledge graphs. In this report, we describe a weird scoring function found by random search on the open graph benchmark (OGB). This scoring function, called AutoWeird, only uses tail entity and relation in a triplet to compute its plausibility score. Experimental results show that AutoWeird achieves top-1 performance on ogbl-wikikg2 data set, but has much worse performance than other methods on ogbl-biokg data set. By analyzing the tail entity distribution and evaluation protocol of these two data sets, we attribute the unexpected success of AutoWeird on ogbl-wikikg2 to inappropriate evaluation and concentrated tail entity distribution. Such results may motivate further research on how to accurately evaluate the performance of different link prediction methods for knowledge graphs.

cs.AI↗

arXiv2022

Graph Property Prediction on Open Graph Benchmark: A Winning Solution by Graph Neural Architecture Search

Aiming at two molecular graph datasets and one protein association subgraph dataset in OGB graph classification task, we design a graph neural network framework for graph classification task by introducing PAS(Pooling Architecture Search). At the same time, we improve it based on the GNN topology design method F2GNN to further design the feature selection and fusion strategies, so as to further improve the performance of the model in the graph property prediction task while overcoming the over smoothing problem of deep GNN training. Finally, a performance breakthrough is achieved on these three datasets, which is significantly better than other methods with fixed aggregate function. It is proved that the NAS method has high generalization ability for multiple tasks and the advantage of our method in processing graph property prediction tasks.

cs.LG↗

arXiv2022

Low-rank Tensor Learning with Nonconvex Overlapped Nuclear Norm Regularization

Nonconvex regularization has been popularly used in low-rank matrix learning. However, extending it for low-rank tensor learning is still computationally expensive. To address this problem, we develop an efficient solver for use with a nonconvex extension of the overlapped nuclear norm regularizer. Based on the proximal average algorithm, the proposed algorithm can avoid expensive tensor folding/unfolding operations. A special "sparse plus low-rank" structure is maintained throughout the iterations, and allows fast computation of the individual proximal steps. Empirical convergence is further improved with the use of adaptive momentum. We provide convergence guarantees to critical points on smooth losses and also on objectives satisfying the Kurdyka-Łojasiewicz condition. While the optimization problem is nonconvex and nonsmooth, we show that its critical points still have good statistical performance on the tensor completion problem. Experiments on various synthetic and real-world data sets show that the proposed algorithm is efficient in both time and space and more accurate than the existing state-of-the-art.

cs.LG↗

arXiv2022

KGTuner: Efficient Hyper-parameter Search for Knowledge Graph Learning

While hyper-parameters (HPs) are important for knowledge graph (KG) learning, existing methods fail to search them efficiently. To solve this problem, we first analyze the properties of different HPs and measure the transfer ability from small subgraph to the full graph. Based on the analysis, we propose an efficient two-stage search algorithm KGTuner, which efficiently explores HP configurations on small subgraph at the first stage and transfers the top-performed configurations for fine-tuning on the large full graph at the second stage. Experiments show that our method can consistently find better HPs than the baseline algorithms within the same time budget, which achieves {9.1\%} average relative improvement for four embedding models on the large-scale KGs in open graph benchmark.

cs.LG↗

arXiv2022

Bridging the Gap of AutoGraph between Academia and Industry: Analysing AutoGraph Challenge at KDD Cup 2020

Graph structured data is ubiquitous in daily life and scientific areas and has attracted increasing attention. Graph Neural Networks (GNNs) have been proved to be effective in modeling graph structured data and many variants of GNN architectures have been proposed. However, much human effort is often needed to tune the architecture depending on different datasets. Researchers naturally adopt Automated Machine Learning on Graph Learning, aiming to reduce the human effort and achieve generally top-performing GNNs, but their methods focus more on the architecture search. To understand GNN practitioners' automated solutions, we organized AutoGraph Challenge at KDD Cup 2020, emphasizing on automated graph neural networks for node classification. We received top solutions especially from industrial tech companies like Meituan, Alibaba and Twitter, which are already open sourced on Github. After detailed comparisons with solutions from academia, we quantify the gaps between academia and industry on modeling scope, effectiveness and efficiency, and show that (1) academia AutoML for Graph solutions focus on GNN architecture search while industrial solutions, especially the winning ones in the KDD Cup, tend to obtain an overall solution (2) by neural architecture search only, academia solutions achieve on average 97.3% accuracy of industrial solutions (3) academia solutions are cheap to obtain with several GPU hours while industrial solutions take a few months' labors. Academic solutions also contain much fewer parameters.

cs.LG↗

arXiv2022

Bilinear Scoring Function Search for Knowledge Graph Learning

Learning embeddings for entities and relations in knowledge graph (KG) have benefited many downstream tasks. In recent years, scoring functions, the crux of KG learning, have been human-designed to measure the plausibility of triples and capture different kinds of relations in KGs. However, as relations exhibit intricate patterns that are hard to infer before training, none of them consistently perform the best on benchmark tasks. In this paper, inspired by the recent success of automated machine learning (AutoML), we search bilinear scoring functions for different KG tasks through the AutoML techniques. However, it is non-trivial to explore domain-specific information here. We first set up a search space for AutoBLM by analyzing existing scoring functions. Then, we propose a progressive algorithm (AutoBLM) and an evolutionary algorithm (AutoBLM+), which are further accelerated by filter and predictor to deal with the domain-specific properties for KG learning. Finally, we perform extensive experiments on benchmarks in KG completion, multi-hop query, and entity classification tasks. Empirical results show that the searched scoring functions are KG dependent, new to the literature, and outperform the existing scoring functions. AutoBLM+ is better than AutoBLM as the evolutionary algorithm can flexibly explore better structures in the same budget.

cs.AI↗

arXiv2022

Codabench: Flexible, Easy-to-Use and Reproducible Benchmarking Platform

Obtaining standardized crowdsourced benchmark of computational methods is a major issue in data science communities. Dedicated frameworks enabling fair benchmarking in a unified environment are yet to be developed. Here we introduce Codabench, an open-source, community-driven platform for benchmarking algorithms or software agents versus datasets or tasks. A public instance of Codabench (https://www.codabench.org/) is open to everyone, free of charge, and allows benchmark organizers to compare fairly submissions, under the same setting (software, hardware, data, algorithms), with custom protocols and data formats. Codabench has unique features facilitating the organization of benchmarks flexibly, easily and reproducibly, such as the possibility of re-using templates of benchmarks, and supplying compute resources on-demand. Codabench has been used internally and externally on various applications, receiving more than 130 users and 2500 submissions. As illustrative use cases, we introduce 4 diverse benchmarks covering Graph Machine Learning, Cancer Heterogeneity, Clinical Diagnosis and Reinforcement Learning.

cs.LG↗

arXiv2022

Knowledge Graph Reasoning with Relational Digraph

Reasoning on the knowledge graph (KG) aims to infer new facts from existing ones. Methods based on the relational path have shown strong, interpretable, and transferable reasoning ability. However, paths are naturally limited in capturing local evidence in graphs. In this paper, we introduce a novel relational structure, i.e., relational directed graph (r-digraph), which is composed of overlapped relational paths, to capture the KG's local evidence. Since the r- digraphs are more complex than paths, how to efficiently construct and effectively learn from them are challenging. Directly encoding the r-digraphs cannot scale well and capturing query-dependent information is hard in r-digraphs. We propose a variant of graph neural network, i.e., RED-GNN, to address the above challenges. Specifically, RED-GNN makes use of dynamic programming to recursively encodes multiple r-digraphs with shared edges, and utilizes a query-dependent attention mechanism to select the strongly correlated edges. We demonstrate that RED-GNN is not only efficient but also can achieve significant performance gains in both inductive and transductive reasoning tasks over existing methods. Besides, the learned attention weights in RED-GNN can exhibit interpretable evidence for KG reasoning.

cs.AI↗

arXiv2021

Property-Aware Relation Networks for Few-Shot Molecular Property Prediction

Molecular property prediction plays a fundamental role in drug discovery to identify candidate molecules with target properties. However, molecular property prediction is essentially a few-shot problem which makes it hard to use regular machine learning models. In this paper, we propose Property-Aware Relation networks (PAR) to handle this problem. In comparison to existing works, we leverage the fact that both relevant substructures and relationships among molecules change across different molecular properties. We first introduce a property-aware embedding function to transform the generic molecular embeddings to substructure-aware space relevant to the target property. Further, we design an adaptive relation graph learning module to jointly estimate molecular relation graph and refine molecular embeddings w.r.t. the target property, such that the limited labels can be effectively propagated among similar molecules. We adopt a meta-learning strategy where the parameters are selectively updated within tasks in order to model generic and property-aware knowledge separately. Extensive experiments on benchmark molecular property prediction datasets show that PAR consistently outperforms existing methods and can obtain property-aware molecular embeddings and model molecular relation graph properly.

cs.LG↗

arXiv2021

Automorphic Equivalence-aware Graph Neural Network

Distinguishing the automorphic equivalence of nodes in a graph plays an essential role in many scientific domains, e.g., computational biologist and social network analysis. However, existing graph neural networks (GNNs) fail to capture such an important property. To make GNN aware of automorphic equivalence, we first introduce a localized variant of this concept -- ego-centered automorphic equivalence (Ego-AE). Then, we design a novel variant of GNN, i.e., GRAPE, that uses learnable AE-aware aggregators to explicitly differentiate the Ego-AE of each node's neighbors with the aids of various subgraph templates. While the design of subgraph templates can be hard, we further propose a genetic algorithm to automatically search them from graph data. Moreover, we theoretically prove that GRAPE is expressive in terms of generating distinct representations for nodes with different Ego-AE features, which fills in a fundamental gap of existing GNN variants. Finally, we empirically validate our model on eight real-world graph data, including social network, e-commerce co-purchase network, and citation network, and show that it consistently outperforms existing GNNs. The source code is public available at https://github.com/tsinghua-fib-lab/GRAPE.

cs.LG↗

arXiv2021

Hierarchical Heterogeneous Graph Representation Learning for Short Text Classification

Short text classification is a fundamental task in natural language processing. It is hard due to the lack of context information and labeled data in practice. In this paper, we propose a new method called SHINE, which is based on graph neural network (GNN), for short text classification. First, we model the short text dataset as a hierarchical heterogeneous graph consisting of word-level component graphs which introduce more semantic and syntactic information. Then, we dynamically learn a short document graph that facilitates effective label propagation among similar short texts. Thus, compared with existing GNN-based methods, SHINE can better exploit interactions between nodes of the same types and capture similarities between short texts. Extensive experiments on various benchmark short text datasets show that SHINE consistently outperforms state-of-the-art methods, especially with fewer labels.

cs.CL↗

arXiv2021

DiffMG: Differentiable Meta Graph Search for Heterogeneous Graph Neural Networks

In this paper, we propose a novel framework to automatically utilize task-dependent semantic information which is encoded in heterogeneous information networks (HINs). Specifically, we search for a meta graph, which can capture more complex semantic relations than a meta path, to determine how graph neural networks (GNNs) propagate messages along different types of edges. We formalize the problem within the framework of neural architecture search (NAS) and then perform the search in a differentiable manner. We design an expressive search space in the form of a directed acyclic graph (DAG) to represent candidate meta graphs for a HIN, and we propose task-dependent type constraint to filter out those edge types along which message passing has no effect on the representations of nodes that are related to the downstream task. The size of the search space we define is huge, so we further propose a novel and efficient search algorithm to make the total search cost on a par with training a single GNN once. Compared with existing popular NAS algorithms, our proposed search algorithm improves the search efficiency. We conduct extensive experiments on different HINs and downstream tasks to evaluate our method, and experimental results show that our method can outperform state-of-the-art heterogeneous GNNs and also improves efficiency compared with those methods which can implicitly learn meta paths.

cs.LG↗

arXiv2021

Pooling Architecture Search for Graph Classification

Graph classification is an important problem with applications across many domains, like chemistry and bioinformatics, for which graph neural networks (GNNs) have been state-of-the-art (SOTA) methods. GNNs are designed to learn node-level representation based on neighborhood aggregation schemes, and to obtain graph-level representation, pooling methods are applied after the aggregation operation in existing GNN models to generate coarse-grained graphs. However,due to highly diverse applications of graph classification, and the performance of existing pooling methods vary on different graphs. In other words, it is a challenging problem to design a universal pooling architecture to perform well in most cases, leading to a demand for data-specific pooling methods in real-world applications. To address this problem, we propose to use neural architecture search (NAS) to search for adaptive pooling architectures for graph classification. Firstly we designed a unified framework consisting of four modules: Aggregation, Pooling, Readout, and Merge, which can cover existing human-designed pooling methods for graph classification. Based on this framework, a novel search space is designed by incorporating popular operations in human-designed architectures. Then to enable efficient search, a coarsening strategy is proposed to continuously relax the search space, thus a differentiable search method can be adopted. Extensive experiments on six real-world datasets from three domains are conducted, and the results demonstrate the effectiveness and efficiency of the proposed framework.

cs.LG↗

arXiv2021

TabGNN: Multiplex Graph Neural Network for Tabular Data Prediction

Tabular data prediction (TDP) is one of the most popular industrial applications, and various methods have been designed to improve the prediction performance. However, existing works mainly focus on feature interactions and ignore sample relations, e.g., users with the same education level might have a similar ability to repay the debt. In this work, by explicitly and systematically modeling sample relations, we propose a novel framework TabGNN based on recently popular graph neural networks (GNN). Specifically, we firstly construct a multiplex graph to model the multifaceted sample relations, and then design a multiplex graph neural network to learn enhanced representation for each sample. To integrate TabGNN with the tabular solution in our company, we concatenate the learned embeddings and the original ones, which are then fed to prediction models inside the solution. Experiments on eleven TDP datasets from various domains, including classification and regression ones, show that TabGNN can consistently improve the performance compared to the tabular solution AutoFE in 4Paradigm.

cs.LG↗

arXiv2021

Efficient, Simple and Automated Negative Sampling for Knowledge Graph Embedding

Negative sampling, which samples negative triplets from non-observed ones in knowledge graph (KG), is an essential step in KG embedding. Recently, generative adversarial network (GAN), has been introduced in negative sampling. By sampling negative triplets with large gradients, these methods avoid the problem of vanishing gradient and thus obtain better performance. However, they make the original model more complex and harder to train. In this paper, motivated by the observation that negative triplets with large gradients are important but rare, we propose to directly keep track of them with the cache. In this way, our method acts as a "distilled" version of previous GAN-based methods, which does not waste training time on additional parameters to fit the full distribution of negative triplets. However, how to sample from and update the cache are two critical questions. We propose to solve these issues by automated machine learning techniques. The automated version also covers GAN-based methods as special cases. Theoretical explanation of NSCaching is also provided, justifying the superior over fixed sampling scheme. Besides, we further extend NSCaching with skip-gram model for graph embedding. Finally, extensive experiments show that our method can gain significant improvements on various KG embedding models and the skip-gram model, and outperforms the state-of-the-art negative sampling methods.

cs.LG↗

arXiv2021

Efficient Data-specific Model Search for Collaborative Filtering

Collaborative filtering (CF), as a fundamental approach for recommender systems, is usually built on the latent factor model with learnable parameters to predict users' preferences towards items. However, designing a proper CF model for a given data is not easy, since the properties of datasets are highly diverse. In this paper, motivated by the recent advances in automated machine learning (AutoML), we propose to design a data-specific CF model by AutoML techniques. The key here is a new framework that unifies state-of-the-art (SOTA) CF methods and splits them into disjoint stages of input encoding, embedding function, interaction function, and prediction function. We further develop an easy-to-use, robust, and efficient search strategy, which utilizes random search and a performance predictor for efficient searching within the above framework. In this way, we can combinatorially generalize data-specific CF models, which have not been visited in the literature, from SOTA ones. Extensive experiments on five real-world datasets demonstrate that our method can consistently outperform SOTA ones for various CF tasks. Further experiments verify the rationality of the proposed framework and the efficiency of the search strategy. The searched CF models can also provide insights for exploring more effective methods in the future

cs.IR↗