Hongyu Ren

Michael Cochez, Dimitrios Alivanistos, Erik Arakelyan et al. · deepmind

Knowledge graphs (KGs) are inherently incomplete because of incomplete world knowledge and bias in what is the input to the KG. Additionally, world knowledge constantly expands and evolves, making existing facts deprecated or introducing new ones. However, we would still want to be able to answer queries as if the graph were complete. In this chapter, we will give an overview of several methods which have been proposed to answer queries in such a setting. We will first provide an overview of the different query types which can be supported by these methods and datasets typically used for evaluation, as well as an insight into their limitations. Then, we give an overview of the different approaches and describe them in terms of expressiveness, supported graph types, and inference capabilities.

Hongwei Wang, Hongyu Ren, Jure Leskovec

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.

Yushi Bai, Rex Ying, Hongyu Ren et al.

Hierarchical relations are prevalent and indispensable for organizing human knowledge captured by a knowledge graph (KG). The key property of hierarchical relations is that they induce a partial ordering over the entities, which needs to be modeled in order to allow for hierarchical reasoning. However, current KG embeddings can model only a single global hierarchy (single global partial ordering) and fail to model multiple heterogeneous hierarchies that exist in a single KG. Here we present ConE (Cone Embedding), a KG embedding model that is able to simultaneously model multiple hierarchical as well as non-hierarchical relations in a knowledge graph. ConE embeds entities into hyperbolic cones and models relations as transformations between the cones. In particular, ConE uses cone containment constraints in different subspaces of the hyperbolic embedding space to capture multiple heterogeneous hierarchies. Experiments on standard knowledge graph benchmarks show that ConE obtains state-of-the-art performance on hierarchical reasoning tasks as well as knowledge graph completion task on hierarchical graphs. In particular, our approach yields new state-of-the-art Hits@1 of 45.3% on WN18RR and 16.1% on DDB14 (0.231 MRR). As for hierarchical reasoning task, our approach outperforms previous best results by an average of 20% across the three datasets.

Hongyu Ren, Hanjun Dai, Bo Dai et al.

Knowledge graphs (KGs) capture knowledge in the form of head--relation--tail triples and are a crucial component in many AI systems. There are two important reasoning tasks on KGs: (1) single-hop knowledge graph completion, which involves predicting individual links in the KG; and (2), multi-hop reasoning, where the goal is to predict which KG entities satisfy a given logical query. Embedding-based methods solve both tasks by first computing an embedding for each entity and relation, then using them to form predictions. However, existing scalable KG embedding frameworks only support single-hop knowledge graph completion and cannot be applied to the more challenging multi-hop reasoning task. Here we present Scalable Multi-hOp REasoning (SMORE), the first general framework for both single-hop and multi-hop reasoning in KGs. Using a single machine SMORE can perform multi-hop reasoning in Freebase KG (86M entities, 338M edges), which is 1,500x larger than previously considered KGs. The key to SMORE's runtime performance is a novel bidirectional rejection sampling that achieves a square root reduction of the complexity of online training data generation. Furthermore, SMORE exploits asynchronous scheduling, overlapping CPU-based data sampling, GPU-based embedding computation, and frequent CPU--GPU IO. SMORE increases throughput (i.e., training speed) over prior multi-hop KG frameworks by 2.2x with minimal GPU memory requirements (2GB for training 400-dim embeddings on 86M-node Freebase) and achieves near linear speed-up with the number of GPUs. Moreover, on the simpler single-hop knowledge graph completion task SMORE achieves comparable or even better runtime performance to state-of-the-art frameworks on both single GPU and multi-GPU settings.

Rishi Bommasani, Drew A. Hudson, Ehsan Adeli et al.

AI is undergoing a paradigm shift with the rise of models (e.g., BERT, DALL-E, GPT-3) that are trained on broad data at scale and are adaptable to a wide range of downstream tasks. We call these models foundation models to underscore their critically central yet incomplete character. This report provides a thorough account of the opportunities and risks of foundation models, ranging from their capabilities (e.g., language, vision, robotics, reasoning, human interaction) and technical principles(e.g., model architectures, training procedures, data, systems, security, evaluation, theory) to their applications (e.g., law, healthcare, education) and societal impact (e.g., inequity, misuse, economic and environmental impact, legal and ethical considerations). Though foundation models are based on standard deep learning and transfer learning, their scale results in new emergent capabilities,and their effectiveness across so many tasks incentivizes homogenization. Homogenization provides powerful leverage but demands caution, as the defects of the foundation model are inherited by all the adapted models downstream. Despite the impending widespread deployment of foundation models, we currently lack a clear understanding of how they work, when they fail, and what they are even capable of due to their emergent properties. To tackle these questions, we believe much of the critical research on foundation models will require deep interdisciplinary collaboration commensurate with their fundamentally sociotechnical nature.

Hongyu Ren, Hanjun Dai, Zihang Dai et al.

Transformers provide a class of expressive architectures that are extremely effective for sequence modeling. However, the key limitation of transformers is their quadratic memory and time complexity $\mathcal{O}(L^2)$ with respect to the sequence length in attention layers, which restricts application in extremely long sequences. Most existing approaches leverage sparsity or low-rank assumptions in the attention matrix to reduce cost, but sacrifice expressiveness. Instead, we propose Combiner, which provides full attention capability in each attention head while maintaining low computation and memory complexity. The key idea is to treat the self-attention mechanism as a conditional expectation over embeddings at each location, and approximate the conditional distribution with a structured factorization. Each location can attend to all other locations, either via direct attention, or through indirect attention to abstractions, which are again conditional expectations of embeddings from corresponding local regions. We show that most sparse attention patterns used in existing sparse transformers are able to inspire the design of such factorization for full attention, resulting in the same sub-quadratic cost ($\mathcal{O}(L\log(L))$ or $\mathcal{O}(L\sqrt{L})$). Combiner is a drop-in replacement for attention layers in existing transformers and can be easily implemented in common frameworks. An experimental evaluation on both autoregressive and bidirectional sequence tasks demonstrates the effectiveness of this approach, yielding state-of-the-art results on several image and text modeling tasks.

Michihiro Yasunaga, Hongyu Ren, Antoine Bosselut et al.

The problem of answering questions using knowledge from pre-trained language models (LMs) and knowledge graphs (KGs) presents two challenges: given a QA context (question and answer choice), methods need to (i) identify relevant knowledge from large KGs, and (ii) perform joint reasoning over the QA context and KG. In this work, we propose a new model, QA-GNN, which addresses the above challenges through two key innovations: (i) relevance scoring, where we use LMs to estimate the importance of KG nodes relative to the given QA context, and (ii) joint reasoning, where we connect the QA context and KG to form a joint graph, and mutually update their representations through graph neural networks. We evaluate our model on QA benchmarks in the commonsense (CommonsenseQA, OpenBookQA) and biomedical (MedQA-USMLE) domains. QA-GNN outperforms existing LM and LM+KG models, and exhibits capabilities to perform interpretable and structured reasoning, e.g., correctly handling negation in questions.

Weihua Hu, Matthias Fey, Hongyu Ren et al.

Enabling effective and efficient machine learning (ML) over large-scale graph data (e.g., graphs with billions of edges) can have a great impact on both industrial and scientific applications. However, existing efforts to advance large-scale graph ML have been largely limited by the lack of a suitable public benchmark. Here we present OGB Large-Scale Challenge (OGB-LSC), a collection of three real-world datasets for facilitating the advancements in large-scale graph ML. The OGB-LSC datasets are orders of magnitude larger than existing ones, covering three core graph learning tasks -- link prediction, graph regression, and node classification. Furthermore, we provide dedicated baseline experiments, scaling up expressive graph ML models to the massive datasets. We show that expressive models significantly outperform simple scalable baselines, indicating an opportunity for dedicated efforts to further improve graph ML at scale. Moreover, OGB-LSC datasets were deployed at ACM KDD Cup 2021 and attracted more than 500 team registrations globally, during which significant performance improvements were made by a variety of innovative techniques. We summarize the common techniques used by the winning solutions and highlight the current best practices in large-scale graph ML. Finally, we describe how we have updated the datasets after the KDD Cup to further facilitate research advances. The OGB-LSC datasets, baseline code, and all the information about the KDD Cup are available at https://ogb.stanford.edu/docs/lsc/ .

Tailin Wu, Hongyu Ren, Pan Li et al.

Representation learning of graph-structured data is challenging because both graph structure and node features carry important information. Graph Neural Networks (GNNs) provide an expressive way to fuse information from network structure and node features. However, GNNs are prone to adversarial attacks. Here we introduce Graph Information Bottleneck (GIB), an information-theoretic principle that optimally balances expressiveness and robustness of the learned representation of graph-structured data. Inheriting from the general Information Bottleneck (IB), GIB aims to learn the minimal sufficient representation for a given task by maximizing the mutual information between the representation and the target, and simultaneously constraining the mutual information between the representation and the input data. Different from the general IB, GIB regularizes the structural as well as the feature information. We design two sampling algorithms for structural regularization and instantiate the GIB principle with two new models: GIB-Cat and GIB-Bern, and demonstrate the benefits by evaluating the resilience to adversarial attacks. We show that our proposed models are more robust than state-of-the-art graph defense models. GIB-based models empirically achieve up to 31% improvement with adversarial perturbation of the graph structure as well as node features.

Hongyu Ren, Jure Leskovec

One of the fundamental problems in Artificial Intelligence is to perform complex multi-hop logical reasoning over the facts captured by a knowledge graph (KG). This problem is challenging, because KGs can be massive and incomplete. Recent approaches embed KG entities in a low dimensional space and then use these embeddings to find the answer entities. However, it has been an outstanding challenge of how to handle arbitrary first-order logic (FOL) queries as present methods are limited to only a subset of FOL operators. In particular, the negation operator is not supported. An additional limitation of present methods is also that they cannot naturally model uncertainty. Here, we present BetaE, a probabilistic embedding framework for answering arbitrary FOL queries over KGs. BetaE is the first method that can handle a complete set of first-order logical operations: conjunction ($\wedge$), disjunction ($\vee$), and negation ($\neg$). A key insight of BetaE is to use probabilistic distributions with bounded support, specifically the Beta distribution, and embed queries/entities as distributions, which as a consequence allows us to also faithfully model uncertainty. Logical operations are performed in the embedding space by neural operators over the probabilistic embeddings. We demonstrate the performance of BetaE on answering arbitrary FOL queries on three large, incomplete KGs. While being more general, BetaE also increases relative performance by up to 25.4% over the current state-of-the-art KG reasoning methods that can only handle conjunctive queries without negation.

Hongyu Ren, Yuke Zhu, Jure Leskovec et al.

Real-world tasks often exhibit a compositional structure that contains a sequence of simpler sub-tasks. For instance, opening a door requires reaching, grasping, rotating, and pulling the door knob. Such compositional tasks require an agent to reason about the sub-task at hand while orchestrating global behavior accordingly. This can be cast as an online task inference problem, where the current task identity, represented by a context variable, is estimated from the agent's past experiences with probabilistic inference. Previous approaches have employed simple latent distributions, e.g., Gaussian, to model a single context for the entire task. However, this formulation lacks the expressiveness to capture the composition and transition of the sub-tasks. We propose a variational inference framework OCEAN to perform online task inference for compositional tasks. OCEAN models global and local context variables in a joint latent space, where the global variables represent a mixture of sub-tasks required for the task, while the local variables capture the transitions between the sub-tasks. Our framework supports flexible latent distributions based on prior knowledge of the task structure and can be trained in an unsupervised manner. Experimental results show that OCEAN provides more effective task inference with sequential context adaptation and thus leads to a performance boost on complex, multi-stage tasks.

Hongyu Ren, Weihua Hu, Jure Leskovec

Answering complex logical queries on large-scale incomplete knowledge graphs (KGs) is a fundamental yet challenging task. Recently, a promising approach to this problem has been to embed KG entities as well as the query into a vector space such that entities that answer the query are embedded close to the query. However, prior work models queries as single points in the vector space, which is problematic because a complex query represents a potentially large set of its answer entities, but it is unclear how such a set can be represented as a single point. Furthermore, prior work can only handle queries that use conjunctions ($\wedge$) and existential quantifiers ($\exists$). Handling queries with logical disjunctions ($\vee$) remains an open problem. Here we propose query2box, an embedding-based framework for reasoning over arbitrary queries with $\wedge$, $\vee$, and $\exists$ operators in massive and incomplete KGs. Our main insight is that queries can be embedded as boxes (i.e., hyper-rectangles), where a set of points inside the box corresponds to a set of answer entities of the query. We show that conjunctions can be naturally represented as intersections of boxes and also prove a negative result that handling disjunctions would require embedding with dimension proportional to the number of KG entities. However, we show that by transforming queries into a Disjunctive Normal Form, query2box is capable of handling arbitrary logical queries with $\wedge$, $\vee$, $\exists$ in a scalable manner. We demonstrate the effectiveness of query2box on three large KGs and show that query2box achieves up to 25% relative improvement over the state of the art.

Shengjia Zhao, Hongyu Ren, Arianna Yuan et al.

In high dimensional settings, density estimation algorithms rely crucially on their inductive bias. Despite recent empirical success, the inductive bias of deep generative models is not well understood. In this paper we propose a framework to systematically investigate bias and generalization in deep generative models of images. Inspired by experimental methods from cognitive psychology, we probe each learning algorithm with carefully designed training datasets to characterize when and how existing models generate novel attributes and their combinations. We identify similarities to human psychology and verify that these patterns are consistent across commonly used models and architectures.

Jiaming Song, Hongyu Ren, Dorsa Sadigh et al.

Imitation learning algorithms can be used to learn a policy from expert demonstrations without access to a reward signal. However, most existing approaches are not applicable in multi-agent settings due to the existence of multiple (Nash) equilibria and non-stationary environments. We propose a new framework for multi-agent imitation learning for general Markov games, where we build upon a generalized notion of inverse reinforcement learning. We further introduce a practical multi-agent actor-critic algorithm with good empirical performance. Our method can be used to imitate complex behaviors in high-dimensional environments with multiple cooperative or competing agents.

Hongyu Ren, Russell Stewart, Jiaming Song et al.

Constraint-based learning reduces the burden of collecting labels by having users specify general properties of structured outputs, such as constraints imposed by physical laws. We propose a novel framework for simultaneously learning these constraints and using them for supervision, bypassing the difficulty of using domain expertise to manually specify constraints. Learning requires a black-box simulator of structured outputs, which generates valid labels, but need not model their corresponding inputs or the input-label relationship. At training time, we constrain the model to produce outputs that cannot be distinguished from simulated labels by adversarial training. Providing our framework with a small number of labeled inputs gives rise to a new semi-supervised structured prediction model; we evaluate this model on multiple tasks --- tracking, pose estimation and time series prediction --- and find that it achieves high accuracy with only a small number of labeled inputs. In some cases, no labels are required at all.

Hongyu Ren, Diqi Chen, Yizhou Wang

Inspired by the free-energy brain theory, which implies that human visual system (HVS) tends to reduce uncertainty and restore perceptual details upon seeing a distorted image, we propose restorative adversarial net (RAN), a GAN-based model for no-reference image quality assessment (NR-IQA). RAN, which mimics the process of HVS, consists of three components: a restorator, a discriminator and an evaluator. The restorator restores and reconstructs input distorted image patches, while the discriminator distinguishes the reconstructed patches from the pristine distortion-free patches. After restoration, we observe that the perceptual distance between the restored and the distorted patches is monotonic with respect to the distortion level. We further define Gain of Restoration (GoR) based on this phenomenon. The evaluator predicts perceptual score by extracting feature representations from the distorted and restored patches to measure GoR. Eventually, the quality score of an input image is estimated by weighted sum of the patch scores. Experimental results on Waterloo Exploration, LIVE and TID2013 show the effectiveness and generalization ability of RAN compared to the state-of-the-art NR-IQA models.