arXiv subjects

Jure Leskovec

Publications and source records attributed to Jure Leskovec.

At least 181 records · Page 10Linked to original sources

arXiv2019

Knowledge-aware Graph Neural Networks with Label Smoothness Regularization for Recommender Systems

Knowledge graphs capture structured information and relations between a set of entities or items. As such knowledge graphs represent an attractive source of information that could help improve recommender systems. However, existing approaches in this domain rely on manual feature engineering and do not allow for an end-to-end training. Here we propose Knowledge-aware Graph Neural Networks with Label Smoothness regularization (KGNN-LS) to provide better recommendations. Conceptually, our approach computes user-specific item embeddings by first applying a trainable function that identifies important knowledge graph relationships for a given user. This way we transform the knowledge graph into a user-specific weighted graph and then apply a graph neural network to compute personalized item embeddings. To provide better inductive bias, we rely on label smoothness assumption, which posits that adjacent items in the knowledge graph are likely to have similar user relevance labels/scores. Label smoothness provides regularization over the edge weights and we prove that it is equivalent to a label propagation scheme on a graph. We also develop an efficient implementation that shows strong scalability with respect to the knowledge graph size. Experiments on four datasets show that our method outperforms state of the art baselines. KGNN-LS also achieves strong performance in cold-start scenarios where user-item interactions are sparse.

cs.LG↗

arXiv2019

Position-aware Graph Neural Networks

Learning node embeddings that capture a node's position within the broader graph structure is crucial for many prediction tasks on graphs. However, existing Graph Neural Network (GNN) architectures have limited power in capturing the position/location of a given node with respect to all other nodes of the graph. Here we propose Position-aware Graph Neural Networks (P-GNNs), a new class of GNNs for computing position-aware node embeddings. P-GNN first samples sets of anchor nodes, computes the distance of a given target node to each anchor-set,and then learns a non-linear distance-weighted aggregation scheme over the anchor-sets. This way P-GNNs can capture positions/locations of nodes with respect to the anchor nodes. P-GNNs have several advantages: they are inductive, scalable,and can incorporate node feature information. We apply P-GNNs to multiple prediction tasks including link prediction and community detection. We show that P-GNNs consistently outperform state of the art GNNs, with up to 66% improvement in terms of the ROC AUC score.

cs.LG↗

arXiv2019

Redundancy-Free Computation Graphs for Graph Neural Networks

Graph Neural Networks (GNNs) are based on repeated aggregations of information across nodes' neighbors in a graph. However, because common neighbors are shared between different nodes, this leads to repeated and inefficient computations. We propose Hierarchically Aggregated computation Graphs (HAGs), a new GNN graph representation that explicitly avoids redundancy by managing intermediate aggregation results hierarchically, eliminating repeated computations and unnecessary data transfers in GNN training and inference. We introduce an accurate cost function to quantitatively evaluate the runtime performance of different HAGs and use a novel HAG search algorithm to find optimized HAGs. Experiments show that the HAG representation significantly outperforms the standard GNN graph representation by increasing the end-to-end training throughput by up to 2.8x and reducing the aggregations and data transfers in GNN training by up to 6.3x and 5.6x, while maintaining the original model accuracy.

cs.LG↗

arXiv2019

Complete the Look: Scene-based Complementary Product Recommendation

Modeling fashion compatibility is challenging due to its complexity and subjectivity. Existing work focuses on predicting compatibility between product images (e.g. an image containing a t-shirt and an image containing a pair of jeans). However, these approaches ignore real-world 'scene' images (e.g. selfies); such images are hard to deal with due to their complexity, clutter, variations in lighting and pose (etc.) but on the other hand could potentially provide key context (e.g. the user's body type, or the season) for making more accurate recommendations. In this work, we propose a new task called 'Complete the Look', which seeks to recommend visually compatible products based on scene images. We design an approach to extract training data for this task, and propose a novel way to learn the scene-product compatibility from fashion or interior design images. Our approach measures compatibility both globally and locally via CNNs and attention mechanisms. Extensive experiments show that our method achieves significant performance gains over alternative systems. Human evaluation and qualitative analysis are also conducted to further understand model behavior. We hope this work could lead to useful applications which link large corpora of real-world scenes with shoppable products.

cs.CV↗

arXiv2019

Hierarchical Temporal Convolutional Networks for Dynamic Recommender Systems

Recommender systems that can learn from cross-session data to dynamically predict the next item a user will choose are crucial for online platforms. However, existing approaches often use out-of-the-box sequence models which are limited by speed and memory consumption, are often infeasible for production environments, and usually do not incorporate cross-session information, which is crucial for effective recommendations. Here we propose Hierarchical Temporal Convolutional Networks (HierTCN), a hierarchical deep learning architecture that makes dynamic recommendations based on users' sequential multi-session interactions with items. HierTCN is designed for web-scale systems with billions of items and hundreds of millions of users. It consists of two levels of models: The high-level model uses Recurrent Neural Networks (RNN) to aggregate users' evolving long-term interests across different sessions, while the low-level model is implemented with Temporal Convolutional Networks (TCN), utilizing both the long-term interests and the short-term interactions within sessions to predict the next interaction. We conduct extensive experiments on a public XING dataset and a large-scale Pinterest dataset that contains 6 million users with 1.6 billion interactions. We show that HierTCN is 2.5x faster than RNN-based models and uses 90% less data memory compared to TCN-based models. We further develop an effective data caching scheme and a queue-based mini-batch generator, enabling our model to be trained within 24 hours on a single GPU. Our model consistently outperforms state-of-the-art dynamic recommendation methods, with up to 18% improvement in recall and 10% in mean reciprocal rank.

cs.SI↗

arXiv2019

Goal-setting And Achievement In Activity Tracking Apps: A Case Study Of MyFitnessPal

Activity tracking apps often make use of goals as one of their core motivational tools. There are two critical components to this tool: setting a goal, and subsequently achieving that goal. Despite its crucial role in how a number of prominent self-tracking apps function, there has been relatively little investigation of the goal-setting and achievement aspects of self-tracking apps. Here we explore this issue, investigating a particular goal setting and achievement process that is extensive, recorded, and crucial for both the app and its users' success: weight loss goals in MyFitnessPal. We present a large-scale study of 1.4 million users and weight loss goals, allowing for an unprecedented detailed view of how people set and achieve their goals. We find that, even for difficult long-term goals, behavior within the first 7 days predicts those who ultimately achieve their goals, that is, those who lose at least as much weight as they set out to, and those who do not. For instance, high amounts of early weight loss, which some researchers have classified as unsustainable, leads to higher goal achievement rates. We also show that early food intake, self-monitoring motivation, and attitude towards the goal are important factors. We then show that we can use our findings to predict goal achievement with an accuracy of 79% ROC AUC just 7 days after a goal is set. Finally, we discuss how our findings could inform steps to improve goal achievement in self-tracking apps.

cs.CY↗

arXiv2019

Predicting pregnancy using large-scale data from a women's health tracking mobile application

Predicting pregnancy has been a fundamental problem in women's health for more than 50 years. Previous datasets have been collected via carefully curated medical studies, but the recent growth of women's health tracking mobile apps offers potential for reaching a much broader population. However, the feasibility of predicting pregnancy from mobile health tracking data is unclear. Here we develop four models -- a logistic regression model, and 3 LSTM models -- to predict a woman's probability of becoming pregnant using data from a women's health tracking app, Clue by BioWink GmbH. Evaluating our models on a dataset of 79 million logs from 65,276 women with ground truth pregnancy test data, we show that our predicted pregnancy probabilities meaningfully stratify women: women in the top 10% of predicted probabilities have a 89% chance of becoming pregnant over 6 menstrual cycles, as compared to a 27% chance for women in the bottom 10%. We develop a technique for extracting interpretable time trends from our deep learning models, and show these trends are consistent with previous fertility research. Our findings illustrate the potential that women's health tracking data offers for predicting pregnancy on a broader population; we conclude by discussing the steps needed to fulfill this potential.

stat.AP↗

arXiv2019

Inferring Multidimensional Rates of Aging from Cross-Sectional Data

Modeling how individuals evolve over time is a fundamental problem in the natural and social sciences. However, existing datasets are often cross-sectional with each individual observed only once, making it impossible to apply traditional time-series methods. Motivated by the study of human aging, we present an interpretable latent-variable model that learns temporal dynamics from cross-sectional data. Our model represents each individual's features over time as a nonlinear function of a low-dimensional, linearly-evolving latent state. We prove that when this nonlinear function is constrained to be order-isomorphic, the model family is identifiable solely from cross-sectional data provided the distribution of time-independent variation is known. On the UK Biobank human health dataset, our model reconstructs the observed data while learning interpretable rates of aging associated with diseases, mortality, and aging risk factors.

cs.LG↗

arXiv2019

Dynamic Network Model from Partial Observations

Can evolving networks be inferred and modeled without directly observing their nodes and edges? In many applications, the edges of a dynamic network might not be observed, but one can observe the dynamics of stochastic cascading processes (e.g., information diffusion, virus propagation) occurring over the unobserved network. While there have been efforts to infer networks based on such data, providing a generative probabilistic model that is able to identify the underlying time-varying network remains an open question. Here we consider the problem of inferring generative dynamic network models based on network cascade diffusion data. We propose a novel framework for providing a non-parametric dynamic network model--based on a mixture of coupled hierarchical Dirichlet processes-- based on data capturing cascade node infection times. Our approach allows us to infer the evolving community structure in networks and to obtain an explicit predictive distribution over the edges of the underlying network--including those that were not involved in transmission of any cascade, or are likely to appear in the future. We show the effectiveness of our approach using extensive experiments on synthetic as well as real-world networks.

cs.LG↗

arXiv2019

Graph Convolutional Policy Network for Goal-Directed Molecular Graph Generation

Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph generation, whose goal is to discover novel molecules with desired properties such as drug-likeness and synthetic accessibility, while obeying physical laws such as chemical valency. However, designing models to find molecules that optimize desired properties while incorporating highly complex and non-differentiable rules remains to be a challenging task. Here we propose Graph Convolutional Policy Network (GCPN), a general graph convolutional network based model for goal-directed graph generation through reinforcement learning. The model is trained to optimize domain-specific rewards and adversarial loss through policy gradient, and acts in an environment that incorporates domain-specific rules. Experimental results show that GCPN can achieve 61% improvement on chemical property optimization over state-of-the-art baselines while resembling known molecules, and achieve 184% improvement on the constrained property optimization task.

cs.LG↗

arXiv2019

How Powerful are Graph Neural Networks?

Graph Neural Networks (GNNs) are an effective framework for representation learning of graphs. GNNs follow a neighborhood aggregation scheme, where the representation vector of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs to capture different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.

cs.LG↗

arXiv2019

Hierarchical Graph Representation Learning with Differentiable Pooling

Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node classification and link prediction. However, current GNN methods are inherently flat and do not learn hierarchical representations of graphs---a limitation that is especially problematic for the task of graph classification, where the goal is to predict the label associated with an entire graph. Here we propose DiffPool, a differentiable graph pooling module that can generate hierarchical representations of graphs and can be combined with various graph neural network architectures in an end-to-end fashion. DiffPool learns a differentiable soft cluster assignment for nodes at each layer of a deep GNN, mapping nodes to a set of clusters, which then form the coarsened input for the next GNN layer. Our experimental results show that combining existing GNN methods with DiffPool yields an average improvement of 5-10% accuracy on graph classification benchmarks, compared to all existing pooling approaches, achieving a new state-of-the-art on four out of five benchmark data sets.

cs.LG↗

arXiv2018

Learning Dynamic Embeddings from Temporal Interactions

Modeling a sequence of interactions between users and items (e.g., products, posts, or courses) is crucial in domains such as e-commerce, social networking, and education to predict future interactions. Representation learning presents an attractive solution to model the dynamic evolution of user and item properties, where each user/item can be embedded in a euclidean space and its evolution can be modeled by dynamic changes in embedding. However, existing embedding methods either generate static embeddings, treat users and items independently, or are not scalable. Here we present JODIE, a coupled recurrent model to jointly learn the dynamic embeddings of users and items from a sequence of user-item interactions. JODIE has three components. First, the update component updates the user and item embedding from each interaction using their previous embeddings with the two mutually-recursive Recurrent Neural Networks. Second, a novel projection component is trained to forecast the embedding of users at any future time. Finally, the prediction component directly predicts the embedding of the item in a future interaction. For models that learn from a sequence of interactions, traditional training data batching cannot be done due to complex user-user dependencies. Therefore, we present a novel batching algorithm called t-Batch that generates time-consistent batches of training data that can run in parallel, giving massive speed-up. We conduct six experiments on two prediction tasks---future interaction prediction and state change prediction---using four real-world datasets. We show that JODIE outperforms six state-of-the-art algorithms in these tasks by up to 22.4%. Moreover, we show that JODIE is highly scalable and up to 9.2x faster than comparable models. As an additional experiment, we illustrate that JODIE can predict student drop-out from courses five interactions in advance.

cs.SI↗

arXiv2018

Offline Behaviors of Online Friends

In this work we analyze traces of mobility and co-location among a group of nearly 1000 closely interacting individuals. We attempt to reconstruct the Facebook friendship graph, Facebook interaction network, as well as call and SMS networks from longitudinal records of person-to-person offline proximity. We find subtle, yet observable behavioral differences between pairs of people who communicate using each of the different channels and we show that the signal of friendship is strong enough to stand out from the noise of random and schedule-driven offline interactions between familiar strangers. Our study also provides an overview of methods for link inference based on offline behavior and proposes new features to improve the performance of the prediction task.

cs.CY↗

arXiv2018

Diachronic Word Embeddings Reveal Statistical Laws of Semantic Change

Understanding how words change their meanings over time is key to models of language and cultural evolution, but historical data on meaning is scarce, making theories hard to develop and test. Word embeddings show promise as a diachronic tool, but have not been carefully evaluated. We develop a robust methodology for quantifying semantic change by evaluating word embeddings (PPMI, SVD, word2vec) against known historical changes. We then use this methodology to reveal statistical laws of semantic evolution. Using six historical corpora spanning four languages and two centuries, we propose two quantitative laws of semantic change: (i) the law of conformity---the rate of semantic change scales with an inverse power-law of word frequency; (ii) the law of innovation---independent of frequency, words that are more polysemous have higher rates of semantic change.

cs.CL↗

arXiv2018

Machine Learning for Integrating Data in Biology and Medicine: Principles, Practice, and Opportunities

New technologies have enabled the investigation of biology and human health at an unprecedented scale and in multiple dimensions. These dimensions include a myriad of properties describing genome, epigenome, transcriptome, microbiome, phenotype, and lifestyle. No single data type, however, can capture the complexity of all the factors relevant to understanding a phenomenon such as a disease. Integrative methods that combine data from multiple technologies have thus emerged as critical statistical and computational approaches. The key challenge in developing such approaches is the identification of effective models to provide a comprehensive and relevant systems view. An ideal method can answer a biological or medical question, identifying important features and predicting outcomes, by harnessing heterogeneous data across several dimensions of biological variation. In this Review, we describe the principles of data integration and discuss current methods and available implementations. We provide examples of successful data integration in biology and medicine. Finally, we discuss current challenges in biomedical integrative methods and our perspective on the future development of the field.

q-bio.QM↗

arXiv2018

Inductive Representation Learning on Large Graphs

Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the graph are present during training of the embeddings; these previous approaches are inherently transductive and do not naturally generalize to unseen nodes. Here we present GraphSAGE, a general, inductive framework that leverages node feature information (e.g., text attributes) to efficiently generate node embeddings for previously unseen data. Instead of training individual embeddings for each node, we learn a function that generates embeddings by sampling and aggregating features from a node's local neighborhood. Our algorithm outperforms strong baselines on three inductive node-classification benchmarks: we classify the category of unseen nodes in evolving information graphs based on citation and Reddit post data, and we show that our algorithm generalizes to completely unseen graphs using a multi-graph dataset of protein-protein interactions.

cs.SI↗

arXiv2018

GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models

Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due to the non-unique, high-dimensional nature of graphs and the complex, non-local dependencies that exist between edges in a given graph. Here we propose GraphRNN, a deep autoregressive model that addresses the above challenges and approximates any distribution of graphs with minimal assumptions about their structure. GraphRNN learns to generate graphs by training on a representative set of graphs and decomposes the graph generation process into a sequence of node and edge formations, conditioned on the graph structure generated so far. In order to quantitatively evaluate the performance of GraphRNN, we introduce a benchmark suite of datasets, baselines and novel evaluation metrics based on Maximum Mean Discrepancy, which measure distances between sets of graphs. Our experiments show that GraphRNN significantly outperforms all baselines, learning to generate diverse graphs that match the structural characteristics of a target set, while also scaling to graphs 50 times larger than previous deep models.

cs.LG↗