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

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 this https URL .

Anytime Sampling for Autoregressive Models via Ordered Autoencoding

Multimodal contrastive pretraining has been used to train multimodal representation models, such as CLIP, on large amounts of paired image-text data. However, previous studies have revealed that such models are vulnerable to backdoor attacks. Specifically, when trained on backdoored examples, CLIP learns spurious correlations between the embedded backdoor trigger and the target label, aligning their representations in the joint embedding space. Injecting even a small number of poisoned examples, such as 75 examples in 3 million pretraining data, can significantly manipulate the model’s behavior, making it difficult to detect or unlearn such correlations. To address this issue, we propose CleanCLIP, a finetuning framework that weakens the learned spurious associations introduced by backdoor attacks by independently re-aligning the representations for individual modalities. We demonstrate that unsupervised finetuning using a combination of multimodal contrastive and unimodal self-supervised objectives for individual modalities can significantly reduce the impact of the backdoor attack. We show empirically that CleanCLIP maintains model performance on benign examples while erasing a range of backdoor attacks on multimodal contrastive learning.

Tacks in multimodal contrastive learning

The goal of multi-objective reinforcement learning (MORL) is to learn policies that simultaneously optimize multiple competing objectives. In practice, an agent’s preferences over the objectives may not be known apriori, and hence, we require policies that can generalize to arbitrary preferences at test time. In this work, we propose a new data-driven setup for offline MORL, where we wish to learn a preference-agnostic policy agent using only a finite dataset of offline demonstrations of other agents and their preferences. The key contributions of this work are two-fold. First, we introduce D4MORL, (D)atasets for MORL that are specifically designed for offline settings. It contains 1.8 million annotated demonstrations obtained by rolling out reference policies that optimize for randomly sampled preferences on 6 MuJoCo environments with 2-3 objectives each. Second, we propose Pareto-Efficient Decision Agents (PEDA), a family of offline MORL algorithms that builds and extends return-conditioned offline methods including Decision Transformers (Chen et al., 2021) and RvS (Emmons et al., 2022) via a novel preference-and-return conditioned policy. Empirically, we show that PEDA closely approximates the behavioral policy on the D4MORL benchmark and provides an excellent approximation of the Pareto-front with appropriate conditioning, as measured by the hypervolume and sparsity metrics.

P areto -e fficient d ecision a gents for o ffline m ulti -o bjective r einforcement l earning

Modeling weather and climate is an essential endeavor to understand the near- and long-term impacts of climate change, as well as inform technology and policymaking for adaptation and mitigation efforts. In recent years, there has been a surging interest in applying data-driven methods based on machine learning for solving core problems such as weather forecasting and climate downscaling. Despite promising results, much of this progress has been impaired due to the lack of large-scale, open-source efforts for reproducibility, resulting in the use of inconsistent or underspecified datasets, training setups, and evaluations by both domain scientists and artificial intelligence researchers. We introduce ClimateLearn, an open-source PyTorch library that vastly simplifies the training and evaluation of machine learning models for data-driven climate science. ClimateLearn consists of holistic pipelines for dataset processing (e.g., ERA5, CMIP6, PRISM), implementation of state-of-the-art deep learning models (e.g., Transformers, ResNets), and quantitative and qualitative evaluation for standard weather and climate modeling tasks. We supplement these functionalities with extensive documentation, contribution guides, and quickstart tutorials to expand access and promote community growth. We have also performed comprehensive forecasting and downscaling experiments to showcase the capabilities and key features of our library. To our knowledge, ClimateLearn is the first large-scale, open-source effort for bridging research in weather and climate modeling with modern machine learning systems. Our library is available publicly at https://github.com/aditya-grover/climate-learn.

ClimateLearn: Benchmarking Machine Learning for Weather and Climate Modeling

We are interested in learning generative models for complex geometries described via manifolds, such as spheres, tori, and other implicit surfaces. Current extensions of existing (Euclidean) generative models are restricted to specific geometries and typically suffer from high computational costs. We introduce Moser Flow (MF), a new class of generative models within the family of continuous normalizing flows (CNF). MF also produces a CNF via a solution to the change-of-variable formula, however differently from other CNF methods, its model (learned) density is parameterized as the source (prior) density minus the divergence of a neural network (NN). The divergence is a local, linear differential operator, easy to approximate and calculate on manifolds. Therefore, unlike other CNFs, MF does not require invoking or backpropagating through an ODE solver during training. Furthermore, representing the model density explicitly as the divergence of a NN rather than as a solution of an ODE facilitates learning high fidelity densities. Theoretically, we prove that MF constitutes a universal density approximator under suitable assumptions. Empirically, we demonstrate for the first time the use of flow models for sampling from general curved surfaces and achieve significant improvements in density estimation, sample quality, and training complexity over existing CNFs on challenging synthetic geometries and real-world benchmarks from the earth and climate sciences.

Aditya Grover

Papers

Anytime Sampling for Autoregressive Models via Ordered Autoencoding

Tacks in multimodal contrastive learning

P areto -e fficient d ecision a gents for o ffline m ulti -o bjective r einforcement l earning

ClimateLearn: Benchmarking Machine Learning for Weather and Climate Modeling

Moser Flow: Divergence-based Generative Modeling on Manifolds