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

A key challenge with machine learning approaches for ranking is the gap between the performance metrics of interest and the surrogate loss functions that can be optimized with gradient-based methods. This gap arises because ranking metrics typically involve a sorting operation which is not differentiable w.r.t. the model parameters. Prior works have proposed surrogates that are loosely related to ranking metrics or simple smoothed versions thereof, and often fail to scale to real-world applications. We propose PiRank, a new class of differentiable surrogates for ranking, which employ a continuous, temperature-controlled relaxation to the sorting operator based on NeuralSort [1]. We show that PiRank exactly recovers the desired metrics in the limit of zero temperature and further propose a divide and-conquer extension that scales favorably to large list sizes, both in theory and practice. Empirically, we demonstrate the role of larger list sizes during training and show that PiRank significantly improves over comparable approaches on publicly available internet-scale learning-to-rank benchmarks.

PiRank: Scalable Learning To Rank via Differentiable Sorting

The goal of Multi-task Bayesian Optimization (MBO) is to minimize the number of queries required to accurately optimize a target black-box function, given access to offline evaluations of other auxiliary functions. When offline datasets are large, the scalability of prior approaches comes at the expense of expressivity and inference quality. We propose JUMBO, an MBO algorithm that sidesteps these limitations by querying additional data based on a combination of acquisition signals derived from training two Gaussian Processes (GP): a cold-GP operating directly in the input domain and a warm-GP that operates in the feature space of a deep neural network pretrained using the offline data. Such a decomposition can dynamically control the reliability of information derived from the online and offline data and the use of pretrained neural networks permits scalability to large offline datasets. Theoretically, we derive regret bounds for JUMBO and show that it achieves no-regret under conditions analogous to GP-UCB (Srinivas et. al. 2010). Empirically, we demonstrate significant performance improvements over existing approaches on two real-world optimization problems: hyper-parameter optimization and automated circuit design.

JUMBO: Scalable Multi-task Bayesian Optimization using Offline Data

Reinforcement learning presents an attractive paradigm to reason about several distinct aspects of sequential decision making, such as specifying complex goals, planning future observations and actions, and critiquing their utilities. However, the combined integration of these capabilities poses competing algorithmic challenges in retaining maximal expressivity while allowing for flexibility in modeling choices for efficient learning and inference. We present Decision Stacks, a generative framework that decomposes goal-conditioned policy agents into 3 generative modules. These modules simulate the temporal evolution of observations, rewards, and actions via independent generative models that can be learned in parallel via teacher forcing. Our framework guarantees both expressivity and flexibility in designing individual modules to account for key factors such as architectural bias, optimization objective and dynamics, transferrability across domains, and inference speed. Our empirical results demonstrate the effectiveness of Decision Stacks for offline policy optimization for several MDP and POMDP environments, outperforming existing methods and enabling flexible generative decision making.

Decision Stacks: Flexible Reinforcement Learning via Modular Generative Models

Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these symmetries while being expressive and computationally efficient. For example, Euclidean motion invariant/equivariant graph or point cloud neural networks. We introduce Frame Averaging (FA), a general purpose and systematic framework for adapting known (backbone) architectures to become invariant or equivariant to new symmetry types. Our framework builds on the well known group averaging operator that guarantees invariance or equivariance but is intractable. In contrast, we observe that for many important classes of symmetries, this operator can be replaced with an averaging operator over a small subset of the group elements, called a frame. We show that averaging over a frame guarantees exact invariance or equivariance while often being much simpler to compute than averaging over the entire group. Furthermore, we prove that FA-based models have maximal expressive power in a broad setting and in general preserve the expressive power of their backbone architectures. Using frame averaging, we propose a new class of universal Graph Neural Networks (GNNs), universal Euclidean motion invariant point cloud networks, and Euclidean motion invariant Message Passing (MP) GNNs. We demonstrate the practical effectiveness of FA on several applications including point cloud normal estimation, beyond $2$-WL graph separation, and $n$-body dynamics prediction, achieving state-of-the-art results in all of these benchmarks.

Frame Averaging for Invariant and Equivariant Network Design.

In the fields of natural language processing (NLP) and computer vision (CV), recent advances in generative modeling have led to powerful machine learning systems that can effectively learn from large labeled and unlabeled datasets. These systems, by and large, apply a uniform pretrain-finetune pipeline on sequential data streams and have achieved state-of-the-art-performance across many tasks and benchmarks. In this talk, we will present recent algorithms that extend this paradigm to sequential decision making, by casting it as an inverse problem that can be solved via deep generative models. These generative approaches are stable to train, provide a flexible interface for single- and multi-task inference, and generalize exceedingly well outside their training datasets. We instantiate these algorithms in the context of reinforcement learning and black-box optimization. Empirically, we demonstrate that these approaches perform exceedingly well on high-dimensional benchmarks outperforming the current state-of-the-art approaches based on forward models.

/pdf/generative-decision-making-under-uncertainty-1vzkska4.pdf

Aditya Grover

Papers

PiRank: Scalable Learning To Rank via Differentiable Sorting

JUMBO: Scalable Multi-task Bayesian Optimization using Offline Data

Decision Stacks: Flexible Reinforcement Learning via Modular Generative Models

Frame Averaging for Invariant and Equivariant Network Design.

Generative Decision Making Under Uncertainty