We present a scalable approach for semi-supervised learning on graph-structured data that is based on an efficient variant of convolutional neural networks which operate directly on graphs. We motivate the choice of our convolutional architecture via a localized first-order approximation of spectral graph convolutions. Our model scales linearly in the number of graph edges and learns hidden layer representations that encode both local graph structure and features of nodes. In a number of experiments on citation networks and on a knowledge graph dataset we demonstrate that our approach outperforms related methods by a significant margin.

Semi-Supervised Classification with Graph Convolutional Networks

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.

Inductive Representation Learning on Large Graphs

“Unpaired Image-to-Image Translation using Cycle-Consistent Adversarial Networks”の学習報告

An Introduction to MultiAgent Systems.

Recent advancements in deep neural networks for graph-structured data have led to state-of-the-art performance on recommender system benchmarks. However, making these methods practical and scalable to web-scale recommendation tasks with billions of items and hundreds of millions of users remains an unsolved challenge. Here we describe a large-scale deep recommendation engine that we developed and deployed at Pinterest. We develop a data-efficient Graph Convolutional Network (GCN) algorithm, which combines efficient random walks and graph convolutions to generate embeddings of nodes (i.e., items) that incorporate both graph structure as well as node feature information. Compared to prior GCN approaches, we develop a novel method based on highly efficient random walks to structure the convolutions and design a novel training strategy that relies on harder-and-harder training examples to improve robustness and convergence of the model. We also develop an efficient MapReduce model inference algorithm to generate embeddings using a trained model. Overall, we can train on and embed graphs that are four orders of magnitude larger than typical GCN implementations. We show how GCN embeddings can be used to make high-quality recommendations in various settings at Pinterest, which has a massive underlying graph with 3 billion nodes representing pins and boards, and 17 billion edges. According to offline metrics, user studies, as well as A/B tests, our approach generates higher-quality recommendations than comparable deep learning based systems. To our knowledge, this is by far the largest application of deep graph embeddings to date and paves the way for a new generation of web-scale recommender systems based on graph convolutional architectures.

Graph Convolutional Neural Networks for Web-Scale Recommender Systems

We introduce the "inverse bandit" problem of estimating the rewards of a multi-armed bandit instance from observing the learning process of a low-regret demonstrator. Existing approaches to the related problem of inverse reinforcement learning assume the execution of an optimal policy, and thereby suffer from an identifiability issue. In contrast, our paradigm leverages the demonstrator's behavior en route to optimality, and in particular, the exploration phase, to obtain consistent reward estimates. We develop simple and efficient reward estimation procedures for demonstrations within a class of upper-confidence-based algorithms, showing that reward estimation gets progressively easier as the regret of the algorithm increases. We match these upper bounds with information-theoretic lower bounds that apply to any demonstrator algorithm, thereby characterizing the optimal tradeoff between exploration and reward estimation. Extensive empirical evaluations on both synthetic data and simulated experimental design data from the natural sciences corroborate our theoretical results.

Learning from an Exploring Demonstrator: Optimal Reward Estimation for Bandits

Autoregressive models are widely used for tasks such as image and audio generation. The sampling process of these models, however, does not allow interruptions and cannot adapt to real-time computational resources. This challenge impedes the deployment of powerful autoregressive models, which involve a slow sampling process that is sequential in nature and typically scales linearly with respect to the data dimension. To address this difficulty, we propose a new family of autoregressive models that enables anytime sampling. Inspired by Principal Component Analysis, we learn a structured representation space where dimensions are ordered based on their importance with respect to reconstruction. Using an autoregressive model in this latent space, we trade off sample quality for computational efficiency by truncating the generation process before decoding into the original data space. Experimentally, we demonstrate in several image and audio generation tasks that sample quality degrades gracefully as we reduce the computational budget for sampling. The approach suffers almost no loss in sample quality (measured by FID) using only 60\% to 80\% of all latent dimensions for image data. Code is available at https://github.com/Newbeeer/Anytime-Auto-Regressive-Model.

/pdf/anytime-sampling-for-autoregressive-models-via-ordered-1x21hv4k5i.pdf

Anytime Sampling for Autoregressive Models via Ordered Autoencoding

Several algorithms for solving constraint satisfaction problems are based on survey propagation, a variational inference scheme used to obtain approximate marginal probability estimates for variable assignments. These marginals correspond to how frequently each variable is set to true among satisfying assignments, and are used to inform branching decisions during search; however, marginal estimates obtained via survey propagation are approximate and can be self-contradictory. We introduce a more general branching strategy based on streamlining constraints, which sidestep hard assignments to variables. We show that streamlined solvers consistently outperform decimation-based solvers on random k-SAT instances for several problem sizes, shrinking the gap between empirical performance and theoretical limits of satisfiability by 16.3% on average for k = 3, 4, 5, 6.

/pdf/streamlining-variational-inference-for-constraint-4mylofwcy7.pdf

Streamlining Variational Inference for Constraint Satisfaction Problems

The growing availability of data sources is a predominant factor enabling the widespread success of machine learning (ML) systems across a wide range of applications. Typically, training data in such systems constitutes a source of ground-truth , such as measurements about a physical object (e.g., natural images) or a human artifact (e.g., natural language). In this position paper, we take a critical look at the validity of this assumption for datasets for climate science. We argue that many such climate datasets are uniquely biased due to the pervasive use of external simulation models (e.g., general cir-culation models) and proxy variables (e.g., satellite measure- ments) for imputing and extrapolating in-situ observational data. We discuss opportunities for mitigating the bias in the training and deployment of ML systems using such datasets. Finally, we share views on improving the reliability and ac- countability of ML systems for climate science applications.

Rethinking Machine Learning for Climate Science: A Dataset Perspective

A method of probing a multidimensional parameter space of battery cell test protocols is provided that includes defining a parameter space for a plurality of battery cells under test, discretizing the parameter space, collecting a preliminary set of cells being cycled to failure for sampling policies from across the parameter space and include multiple repetitions of the policy, specifying resource hyperparameters, parameter space hyperparameters, and algorithm hyperparameters, selecting a random subset of charging policies, testing the random subset of charging policies until a number of cycles required for early prediction of battery lifetime is achieved, inputting cycle data for early prediction into an early prediction algorithm to obtain early predictions, inputting the early predictions into an optimal experimental design (OED) algorithm to obtain recommendations for running at least one next test, running the recommended tests by repeating from the random subset testing step above, and validating final recommended policies.

Aditya Grover

Papers

Learning from an Exploring Demonstrator: Optimal Reward Estimation for Bandits

Anytime Sampling for Autoregressive Models via Ordered Autoencoding

Streamlining Variational Inference for Constraint Satisfaction Problems

Rethinking Machine Learning for Climate Science: A Dataset Perspective

Autonomous screening and optimization of battery formation and cycling procedures