Temporal graph neural networks have shown promising results in learning inductive representations by automatically extracting temporal patterns. However, previous works often rely on complex memory modules or inefficient random walk methods to construct temporal representations. To address these limitations, we present an efficient yet effective attention-based encoder that leverages temporal edge encodings and window-based subgraph sampling to generate task-agnostic embeddings. Moreover, we propose a joint-embedding architecture using non-contrastive SSL to learn rich temporal embeddings without labels. Experimental results on 7 benchmark datasets indicate that on average, our model outperforms SoTA baselines on the future link prediction task by 4.23% for the transductive setting and 3.30% for the inductive setting while only requiring 5-10x less training/inference time. Lastly, different aspects of the proposed framework are investigated through experimental analysis and ablation studies. The code is publicly available at //github.com/huawei-noah/noah-research/tree/master/graph_atlas.
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We introduce CyberDemo, a novel approach to robotic imitation learning that leverages simulated human demonstrations for real-world tasks. By incorporating extensive data augmentation in a simulated environment, CyberDemo outperforms traditional in-domain real-world demonstrations when transferred to the real world, handling diverse physical and visual conditions. Regardless of its affordability and convenience in data collection, CyberDemo outperforms baseline methods in terms of success rates across various tasks and exhibits generalizability with previously unseen objects. For example, it can rotate novel tetra-valve and penta-valve, despite human demonstrations only involving tri-valves. Our research demonstrates the significant potential of simulated human demonstrations for real-world dexterous manipulation tasks. More details can be found at //cyber-demo.github.io
The quality of training data are crucial for enhancing the long-text capabilities of foundation models. Despite existing efforts to refine data quality through heuristic rules and evaluations based on data diversity and difficulty, there's a lack of systematic approaches specifically tailored for assessing long texts. Addressing this gap, our work systematically measures the quality of long texts by evaluating three fundamental linguistic dimensions: coherence, cohesion, and complexity. Drawing inspiration from the aforementioned three dimensions, we introduce a suite of metrics designed to evaluate the quality of long texts, encompassing both statistical and pre-trained language model-based ones. Leveraging these metrics, we present LongWanjuan, a bilingual dataset specifically tailored to enhance the training of language models for long-text tasks with over 160B tokens. In LongWanjuan, we categorize long texts into holistic, aggregated, and chaotic types, enabling a detailed analysis of long-text quality. Furthermore, we devise a data mixture recipe that strategically balances different types of long texts within LongWanjuan, leading to significant improvements in model performance on long-text tasks. The code and dataset are available at //github.com/OpenLMLab/LongWanjuan.
Simultaneous Machine Translation (SiMT) generates translations while reading the source sentence, necessitating a policy to determine the optimal timing for reading and generating words. Despite the remarkable performance achieved by Large Language Models (LLM) across various NLP tasks, existing SiMT methods predominantly focus on conventional transformers, employing a single model to concurrently determine the policy and generate the translations. However, given the complexity of SiMT, it is challenging to effectively address both tasks with a single model. Therefore, there is a need to decouple the SiMT task into policy-decision and translation sub-tasks. We propose SiLLM, which delegates the two sub-tasks to separate agents, thereby incorporating LLM into SiMT. The policy-decision agent is managed by a conventional SiMT model, responsible for determining the translation policy. The translation agent, leveraging the capabilities of LLM, generates translation using the partial source sentence. The two agents collaborate to accomplish SiMT. To facilitate the application of token-level policies determined by conventional SiMT models to LLM, we propose a word-level policy adapted for LLM. Experiments on two datasets demonstrate that, with a small amount of data for fine-tuning LLM, SiLLM attains state-of-the-art performance.
This study addresses the challenge of inaccurate gradients in computing the empirical Fisher Information Matrix during neural network pruning. We introduce SWAP, a formulation of Entropic Wasserstein regression (EWR) for pruning, capitalizing on the geometric properties of the optimal transport problem. The ``swap'' of the commonly used linear regression with the EWR in optimization is analytically demonstrated to offer noise mitigation effects by incorporating neighborhood interpolation across data points with only marginal additional computational cost. The unique strength of SWAP is its intrinsic ability to balance noise reduction and covariance information preservation effectively. Extensive experiments performed on various networks and datasets show comparable performance of SWAP with state-of-the-art (SoTA) network pruning algorithms. Our proposed method outperforms the SoTA when the network size or the target sparsity is large, the gain is even larger with the existence of noisy gradients, possibly from noisy data, analog memory, or adversarial attacks. Notably, our proposed method achieves a gain of 6% improvement in accuracy and 8% improvement in testing loss for MobileNetV1 with less than one-fourth of the network parameters remaining.
Recently many efforts have been devoted to applying graph neural networks (GNNs) to molecular property prediction which is a fundamental task for computational drug and material discovery. One of major obstacles to hinder the successful prediction of molecule property by GNNs is the scarcity of labeled data. Though graph contrastive learning (GCL) methods have achieved extraordinary performance with insufficient labeled data, most focused on designing data augmentation schemes for general graphs. However, the fundamental property of a molecule could be altered with the augmentation method (like random perturbation) on molecular graphs. Whereas, the critical geometric information of molecules remains rarely explored under the current GNN and GCL architectures. To this end, we propose a novel graph contrastive learning method utilizing the geometry of the molecule across 2D and 3D views, which is named GeomGCL. Specifically, we first devise a dual-view geometric message passing network (GeomMPNN) to adaptively leverage the rich information of both 2D and 3D graphs of a molecule. The incorporation of geometric properties at different levels can greatly facilitate the molecular representation learning. Then a novel geometric graph contrastive scheme is designed to make both geometric views collaboratively supervise each other to improve the generalization ability of GeomMPNN. We evaluate GeomGCL on various downstream property prediction tasks via a finetune process. Experimental results on seven real-life molecular datasets demonstrate the effectiveness of our proposed GeomGCL against state-of-the-art baselines.
There has been appreciable progress in unsupervised network representation learning (UNRL) approaches over graphs recently with flexible random-walk approaches, new optimization objectives and deep architectures. However, there is no common ground for systematic comparison of embeddings to understand their behavior for different graphs and tasks. In this paper we theoretically group different approaches under a unifying framework and empirically investigate the effectiveness of different network representation methods. In particular, we argue that most of the UNRL approaches either explicitly or implicit model and exploit context information of a node. Consequently, we propose a framework that casts a variety of approaches -- random walk based, matrix factorization and deep learning based -- into a unified context-based optimization function. We systematically group the methods based on their similarities and differences. We study the differences among these methods in detail which we later use to explain their performance differences (on downstream tasks). We conduct a large-scale empirical study considering 9 popular and recent UNRL techniques and 11 real-world datasets with varying structural properties and two common tasks -- node classification and link prediction. We find that there is no single method that is a clear winner and that the choice of a suitable method is dictated by certain properties of the embedding methods, task and structural properties of the underlying graph. In addition we also report the common pitfalls in evaluation of UNRL methods and come up with suggestions for experimental design and interpretation of results.
Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at \url{//github.com/IBM/EvolveGCN}.
Graph convolutional networks (GCNs) have recently become one of the most powerful tools for graph analytics tasks in numerous applications, ranging from social networks and natural language processing to bioinformatics and chemoinformatics, thanks to their ability to capture the complex relationships between concepts. At present, the vast majority of GCNs use a neighborhood aggregation framework to learn a continuous and compact vector, then performing a pooling operation to generalize graph embedding for the classification task. These approaches have two disadvantages in the graph classification task: (1)when only the largest sub-graph structure ($k$-hop neighbor) is used for neighborhood aggregation, a large amount of early-stage information is lost during the graph convolution step; (2) simple average/sum pooling or max pooling utilized, which loses the characteristics of each node and the topology between nodes. In this paper, we propose a novel framework called, dual attention graph convolutional networks (DAGCN) to address these problems. DAGCN automatically learns the importance of neighbors at different hops using a novel attention graph convolution layer, and then employs a second attention component, a self-attention pooling layer, to generalize the graph representation from the various aspects of a matrix graph embedding. The dual attention network is trained in an end-to-end manner for the graph classification task. We compare our model with state-of-the-art graph kernels and other deep learning methods. The experimental results show that our framework not only outperforms other baselines but also achieves a better rate of convergence.
This paper surveys the machine learning literature and presents machine learning as optimization models. Such models can benefit from the advancement of numerical optimization techniques which have already played a distinctive role in several machine learning settings. Particularly, mathematical optimization models are presented for commonly used machine learning approaches for regression, classification, clustering, and deep neural networks as well new emerging applications in machine teaching and empirical model learning. The strengths and the shortcomings of these models are discussed and potential research directions are highlighted.
We study the problem of learning to reason in large scale knowledge graphs (KGs). More specifically, we describe a novel reinforcement learning framework for learning multi-hop relational paths: we use a policy-based agent with continuous states based on knowledge graph embeddings, which reasons in a KG vector space by sampling the most promising relation to extend its path. In contrast to prior work, our approach includes a reward function that takes the accuracy, diversity, and efficiency into consideration. Experimentally, we show that our proposed method outperforms a path-ranking based algorithm and knowledge graph embedding methods on Freebase and Never-Ending Language Learning datasets.
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