arXiv subjects

Jure Leskovec

Publications and source records attributed to Jure Leskovec.

At least 145 records · Page 8Linked to original sources

arXiv2021

WILDS: A Benchmark of in-the-Wild Distribution Shifts

Distribution shifts -- where the training distribution differs from the test distribution -- can substantially degrade the accuracy of machine learning (ML) systems deployed in the wild. Despite their ubiquity in the real-world deployments, these distribution shifts are under-represented in the datasets widely used in the ML community today. To address this gap, we present WILDS, a curated benchmark of 10 datasets reflecting a diverse range of distribution shifts that naturally arise in real-world applications, such as shifts across hospitals for tumor identification; across camera traps for wildlife monitoring; and across time and location in satellite imaging and poverty mapping. On each dataset, we show that standard training yields substantially lower out-of-distribution than in-distribution performance. This gap remains even with models trained by existing methods for tackling distribution shifts, underscoring the need for new methods for training models that are more robust to the types of distribution shifts that arise in practice. To facilitate method development, we provide an open-source package that automates dataset loading, contains default model architectures and hyperparameters, and standardizes evaluations. Code and leaderboards are available at https://wilds.stanford.edu.

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arXiv2021

Deception Detection in Group Video Conversations using Dynamic Interaction Networks

Detecting groups of people who are jointly deceptive in video conversations is crucial in settings such as meetings, sales pitches, and negotiations. Past work on deception in videos focuses on detecting a single deceiver and uses facial or visual features only. In this paper, we propose the concept of Face-to-Face Dynamic Interaction Networks (FFDINs) to model the interpersonal interactions within a group of people. The use of FFDINs enables us to leverage network relations in detecting group deception in video conversations for the first time. We use a dataset of 185 videos from a deception-based game called Resistance. We first characterize the behavior of individual, pairs, and groups of deceptive participants and compare them to non-deceptive participants. Our analysis reveals that pairs of deceivers tend to avoid mutual interaction and focus their attention on non-deceivers. In contrast, non-deceivers interact with everyone equally. We propose Negative Dynamic Interaction Networks to capture the notion of missing interactions. We create the DeceptionRank algorithm to detect deceivers from NDINs extracted from videos that are just one minute long. We show that our method outperforms recent state-of-the-art computer vision, graph embedding, and ensemble methods by at least 20.9% AUROC in identifying deception from videos.

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arXiv2021

GNNAutoScale: Scalable and Expressive Graph Neural Networks via Historical Embeddings

We present GNNAutoScale (GAS), a framework for scaling arbitrary message-passing GNNs to large graphs. GAS prunes entire sub-trees of the computation graph by utilizing historical embeddings from prior training iterations, leading to constant GPU memory consumption in respect to input node size without dropping any data. While existing solutions weaken the expressive power of message passing due to sub-sampling of edges or non-trainable propagations, our approach is provably able to maintain the expressive power of the original GNN. We achieve this by providing approximation error bounds of historical embeddings and show how to tighten them in practice. Empirically, we show that the practical realization of our framework, PyGAS, an easy-to-use extension for PyTorch Geometric, is both fast and memory-efficient, learns expressive node representations, closely resembles the performance of their non-scaling counterparts, and reaches state-of-the-art performance on large-scale graphs.

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arXiv2021

Relational Message Passing for Knowledge Graph Completion

Knowledge graph completion aims to predict missing relations between entities in a knowledge graph. In this work, we propose a relational message passing method for knowledge graph completion. Different from existing embedding-based methods, relational message passing only considers edge features (i.e., relation types) without entity IDs in the knowledge graph, and passes relational messages among edges iteratively to aggregate neighborhood information. Specifically, two kinds of neighborhood topology are modeled for a given entity pair under the relational message passing framework: (1) Relational context, which captures the relation types of edges adjacent to the given entity pair; (2) Relational paths, which characterize the relative position between the given two entities in the knowledge graph. The two message passing modules are combined together for relation prediction. Experimental results on knowledge graph benchmarks as well as our newly proposed dataset show that, our method PathCon outperforms state-of-the-art knowledge graph completion methods by a large margin. PathCon is also shown applicable to inductive settings where entities are not seen in training stage, and it is able to provide interpretable explanations for the predicted results. The code and all datasets are available at https://github.com/hwwang55/PathCon.

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arXiv2021

Language-Agnostic Representation Learning of Source Code from Structure and Context

Source code (Context) and its parsed abstract syntax tree (AST; Structure) are two complementary representations of the same computer program. Traditionally, designers of machine learning models have relied predominantly either on Structure or Context. We propose a new model, which jointly learns on Context and Structure of source code. In contrast to previous approaches, our model uses only language-agnostic features, i.e., source code and features that can be computed directly from the AST. Besides obtaining state-of-the-art on monolingual code summarization on all five programming languages considered in this work, we propose the first multilingual code summarization model. We show that jointly training on non-parallel data from multiple programming languages improves results on all individual languages, where the strongest gains are on low-resource languages. Remarkably, multilingual training only from Context does not lead to the same improvements, highlighting the benefits of combining Structure and Context for representation learning on code.

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arXiv2021

Concept Learners for Few-Shot Learning

Developing algorithms that are able to generalize to a novel task given only a few labeled examples represents a fundamental challenge in closing the gap between machine- and human-level performance. The core of human cognition lies in the structured, reusable concepts that help us to rapidly adapt to new tasks and provide reasoning behind our decisions. However, existing meta-learning methods learn complex representations across prior labeled tasks without imposing any structure on the learned representations. Here we propose COMET, a meta-learning method that improves generalization ability by learning to learn along human-interpretable concept dimensions. Instead of learning a joint unstructured metric space, COMET learns mappings of high-level concepts into semi-structured metric spaces, and effectively combines the outputs of independent concept learners. We evaluate our model on few-shot tasks from diverse domains, including fine-grained image classification, document categorization and cell type annotation on a novel dataset from a biological domain developed in our work. COMET significantly outperforms strong meta-learning baselines, achieving 6-15% relative improvement on the most challenging 1-shot learning tasks, while unlike existing methods providing interpretations behind the model's predictions.

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arXiv2021

ForceNet: A Graph Neural Network for Large-Scale Quantum Calculations

With massive amounts of atomic simulation data available, there is a huge opportunity to develop fast and accurate machine learning models to approximate expensive physics-based calculations. The key quantity to estimate is atomic forces, where the state-of-the-art Graph Neural Networks (GNNs) explicitly enforce basic physical constraints such as rotation-covariance. However, to strictly satisfy the physical constraints, existing models have to make tradeoffs between computational efficiency and model expressiveness. Here we explore an alternative approach. By not imposing explicit physical constraints, we can flexibly design expressive models while maintaining their computational efficiency. Physical constraints are implicitly imposed by training the models using physics-based data augmentation. To evaluate the approach, we carefully design a scalable and expressive GNN model, ForceNet, and apply it to OC20 (Chanussot et al., 2020), an unprecedentedly-large dataset of quantum physics calculations. Our proposed ForceNet is able to predict atomic forces more accurately than state-of-the-art physics-based GNNs while being faster both in training and inference. Overall, our promising and counter-intuitive results open up an exciting avenue for future research.

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arXiv2021

Open Graph Benchmark: Datasets for Machine Learning on Graphs

We present the Open Graph Benchmark (OGB), a diverse set of challenging and realistic benchmark datasets to facilitate scalable, robust, and reproducible graph machine learning (ML) research. OGB datasets are large-scale, encompass multiple important graph ML tasks, and cover a diverse range of domains, ranging from social and information networks to biological networks, molecular graphs, source code ASTs, and knowledge graphs. For each dataset, we provide a unified evaluation protocol using meaningful application-specific data splits and evaluation metrics. In addition to building the datasets, we also perform extensive benchmark experiments for each dataset. Our experiments suggest that OGB datasets present significant challenges of scalability to large-scale graphs and out-of-distribution generalization under realistic data splits, indicating fruitful opportunities for future research. Finally, OGB provides an automated end-to-end graph ML pipeline that simplifies and standardizes the process of graph data loading, experimental setup, and model evaluation. OGB will be regularly updated and welcomes inputs from the community. OGB datasets as well as data loaders, evaluation scripts, baseline code, and leaderboards are publicly available at https://ogb.stanford.edu .

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arXiv2021

Inductive Learning on Commonsense Knowledge Graph Completion

Commonsense knowledge graph (CKG) is a special type of knowledge graph (KG), where entities are composed of free-form text. However, most existing CKG completion methods focus on the setting where all the entities are presented at training time. Although this setting is standard for conventional KG completion, it has limitations for CKG completion. At test time, entities in CKGs can be unseen because they may have unseen text/names and entities may be disconnected from the training graph, since CKGs are generally very sparse. Here, we propose to study the inductive learning setting for CKG completion where unseen entities may present at test time. We develop a novel learning framework named InductivE. Different from previous approaches, InductiveE ensures the inductive learning capability by directly computing entity embeddings from raw entity attributes/text. InductiveE consists of a free-text encoder, a graph encoder, and a KG completion decoder. Specifically, the free-text encoder first extracts the textual representation of each entity based on the pre-trained language model and word embedding. The graph encoder is a gated relational graph convolutional neural network that learns from a densified graph for more informative entity representation learning. We develop a method that densifies CKGs by adding edges among semantic-related entities and provide more supportive information for unseen entities, leading to better generalization ability of entity embedding for unseen entities. Finally, inductiveE employs Conv-TransE as the CKG completion decoder. Experimental results show that InductiveE significantly outperforms state-of-the-art baselines in both standard and inductive settings on ATOMIC and ConceptNet benchmarks. InductivE performs especially well on inductive scenarios where it achieves above 48% improvement over present methods.

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arXiv2021

Model-Agnostic Graph Regularization for Few-Shot Learning

In many domains, relationships between categories are encoded in the knowledge graph. Recently, promising results have been achieved by incorporating knowledge graph as side information in hard classification tasks with severely limited data. However, prior models consist of highly complex architectures with many sub-components that all seem to impact performance. In this paper, we present a comprehensive empirical study on graph embedded few-shot learning. We introduce a graph regularization approach that allows a deeper understanding of the impact of incorporating graph information between labels. Our proposed regularization is widely applicable and model-agnostic, and boosts the performance of any few-shot learning model, including fine-tuning, metric-based, and optimization-based meta-learning. Our approach improves the performance of strong base learners by up to 2% on Mini-ImageNet and 6.7% on ImageNet-FS, outperforming state-of-the-art graph embedded methods. Additional analyses reveal that graph regularizing models result in a lower loss for more difficult tasks, such as those with fewer shots and less informative support examples.

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arXiv2021

Driver2vec: Driver Identification from Automotive Data

With increasing focus on privacy protection, alternative methods to identify vehicle operator without the use of biometric identifiers have gained traction for automotive data analysis. The wide variety of sensors installed on modern vehicles enable autonomous driving, reduce accidents and improve vehicle handling. On the other hand, the data these sensors collect reflect drivers' habit. Drivers' use of turn indicators, following distance, rate of acceleration, etc. can be transformed to an embedding that is representative of their behavior and identity. In this paper, we develop a deep learning architecture (Driver2vec) to map a short interval of driving data into an embedding space that represents the driver's behavior to assist in driver identification. We develop a custom model that leverages performance gains of temporal convolutional networks, embedding separation power of triplet loss and classification accuracy of gradient boosting decision trees. Trained on a dataset of 51 drivers provided by Nervtech, Driver2vec is able to accurately identify the driver from a short 10-second interval of sensor data, achieving an average pairwise driver identification accuracy of 83.1% from this 10-second interval, which is remarkably higher than performance obtained in previous studies. We then analyzed performance of Driver2vec to show that its performance is consistent across scenarios and that modeling choices are sound.

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arXiv2021

F-FADE: Frequency Factorization for Anomaly Detection in Edge Streams

Edge streams are commonly used to capture interactions in dynamic networks, such as email, social, or computer networks. The problem of detecting anomalies or rare events in edge streams has a wide range of applications. However, it presents many challenges due to lack of labels, a highly dynamic nature of interactions, and the entanglement of temporal and structural changes in the network. Current methods are limited in their ability to address the above challenges and to efficiently process a large number of interactions. Here, we propose F-FADE, a new approach for detection of anomalies in edge streams, which uses a novel frequency-factorization technique to efficiently model the time-evolving distributions of frequencies of interactions between node-pairs. The anomalies are then determined based on the likelihood of the observed frequency of each incoming interaction. F-FADE is able to handle in an online streaming setting a broad variety of anomalies with temporal and structural changes, while requiring only constant memory. Our experiments on one synthetic and six real-world dynamic networks show that F-FADE achieves state of the art performance and may detect anomalies that previous methods are unable to find.

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arXiv2021

Identity-aware Graph Neural Networks

Message passing Graph Neural Networks (GNNs) provide a powerful modeling framework for relational data. However, the expressive power of existing GNNs is upper-bounded by the 1-Weisfeiler-Lehman (1-WL) graph isomorphism test, which means GNNs that are not able to predict node clustering coefficients and shortest path distances, and cannot differentiate between different d-regular graphs. Here we develop a class of message passing GNNs, named Identity-aware Graph Neural Networks (ID-GNNs), with greater expressive power than the 1-WL test. ID-GNN offers a minimal but powerful solution to limitations of existing GNNs. ID-GNN extends existing GNN architectures by inductively considering nodes' identities during message passing. To embed a given node, ID-GNN first extracts the ego network centered at the node, then conducts rounds of heterogeneous message passing, where different sets of parameters are applied to the center node than to other surrounding nodes in the ego network. We further propose a simplified but faster version of ID-GNN that injects node identity information as augmented node features. Altogether, both versions of ID-GNN represent general extensions of message passing GNNs, where experiments show that transforming existing GNNs to ID-GNNs yields on average 40% accuracy improvement on challenging node, edge, and graph property prediction tasks; 3% accuracy improvement on node and graph classification benchmarks; and 15% ROC AUC improvement on real-world link prediction tasks. Additionally, ID-GNNs demonstrate improved or comparable performance over other task-specific graph networks.

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arXiv2020

Coresets for Data-efficient Training of Machine Learning Models

Incremental gradient (IG) methods, such as stochastic gradient descent and its variants are commonly used for large scale optimization in machine learning. Despite the sustained effort to make IG methods more data-efficient, it remains an open question how to select a training data subset that can theoretically and practically perform on par with the full dataset. Here we develop CRAIG, a method to select a weighted subset (or coreset) of training data that closely estimates the full gradient by maximizing a submodular function. We prove that applying IG to this subset is guaranteed to converge to the (near)optimal solution with the same convergence rate as that of IG for convex optimization. As a result, CRAIG achieves a speedup that is inversely proportional to the size of the subset. To our knowledge, this is the first rigorous method for data-efficient training of general machine learning models. Our extensive set of experiments show that CRAIG, while achieving practically the same solution, speeds up various IG methods by up to 6x for logistic regression and 3x for training deep neural networks.

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arXiv2020

Coresets for Robust Training of Neural Networks against Noisy Labels

Modern neural networks have the capacity to overfit noisy labels frequently found in real-world datasets. Although great progress has been made, existing techniques are limited in providing theoretical guarantees for the performance of the neural networks trained with noisy labels. Here we propose a novel approach with strong theoretical guarantees for robust training of deep networks trained with noisy labels. The key idea behind our method is to select weighted subsets (coresets) of clean data points that provide an approximately low-rank Jacobian matrix. We then prove that gradient descent applied to the subsets do not overfit the noisy labels. Our extensive experiments corroborate our theory and demonstrate that deep networks trained on our subsets achieve a significantly superior performance compared to state-of-the art, e.g., 6% increase in accuracy on CIFAR-10 with 80% noisy labels, and 7% increase in accuracy on mini Webvision.

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arXiv2020

Handling Missing Data with Graph Representation Learning

Machine learning with missing data has been approached in two different ways, including feature imputation where missing feature values are estimated based on observed values, and label prediction where downstream labels are learned directly from incomplete data. However, existing imputation models tend to have strong prior assumptions and cannot learn from downstream tasks, while models targeting label prediction often involve heuristics and can encounter scalability issues. Here we propose GRAPE, a graph-based framework for feature imputation as well as label prediction. GRAPE tackles the missing data problem using a graph representation, where the observations and features are viewed as two types of nodes in a bipartite graph, and the observed feature values as edges. Under the GRAPE framework, the feature imputation is formulated as an edge-level prediction task and the label prediction as a node-level prediction task. These tasks are then solved with Graph Neural Networks. Experimental results on nine benchmark datasets show that GRAPE yields 20% lower mean absolute error for imputation tasks and 10% lower for label prediction tasks, compared with existing state-of-the-art methods.

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arXiv2020

Distance Encoding: Design Provably More Powerful Neural Networks for Graph Representation Learning

Learning representations of sets of nodes in a graph is crucial for applications ranging from node-role discovery to link prediction and molecule classification. Graph Neural Networks (GNNs) have achieved great success in graph representation learning. However, expressive power of GNNs is limited by the 1-Weisfeiler-Lehman (WL) test and thus GNNs generate identical representations for graph substructures that may in fact be very different. More powerful GNNs, proposed recently by mimicking higher-order-WL tests, only focus on representing entire graphs and they are computationally inefficient as they cannot utilize sparsity of the underlying graph. Here we propose and mathematically analyze a general class of structure-related features, termed Distance Encoding (DE). DE assists GNNs in representing any set of nodes, while providing strictly more expressive power than the 1-WL test. DE captures the distance between the node set whose representation is to be learned and each node in the graph. To capture the distance DE can apply various graph-distance measures such as shortest path distance or generalized PageRank scores. We propose two ways for GNNs to use DEs (1) as extra node features, and (2) as controllers of message aggregation in GNNs. Both approaches can utilize the sparse structure of the underlying graph, which leads to computational efficiency and scalability. We also prove that DE can distinguish node sets embedded in almost all regular graphs where traditional GNNs always fail. We evaluate DE on three tasks over six real networks: structural role prediction, link prediction, and triangle prediction. Results show that our models outperform GNNs without DE by up-to 15\% in accuracy and AUROC. Furthermore, our models also significantly outperform other state-of-the-art methods especially designed for the above tasks.

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arXiv2020

Selection via Proxy: Efficient Data Selection for Deep Learning

Data selection methods, such as active learning and core-set selection, are useful tools for machine learning on large datasets. However, they can be prohibitively expensive to apply in deep learning because they depend on feature representations that need to be learned. In this work, we show that we can greatly improve the computational efficiency by using a small proxy model to perform data selection (e.g., selecting data points to label for active learning). By removing hidden layers from the target model, using smaller architectures, and training for fewer epochs, we create proxies that are an order of magnitude faster to train. Although these small proxy models have higher error rates, we find that they empirically provide useful signals for data selection. We evaluate this "selection via proxy" (SVP) approach on several data selection tasks across five datasets: CIFAR10, CIFAR100, ImageNet, Amazon Review Polarity, and Amazon Review Full. For active learning, applying SVP can give an order of magnitude improvement in data selection runtime (i.e., the time it takes to repeatedly train and select points) without significantly increasing the final error (often within 0.1%). For core-set selection on CIFAR10, proxies that are over 10x faster to train than their larger, more accurate targets can remove up to 50% of the data without harming the final accuracy of the target, leading to a 1.6x end-to-end training time improvement.

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