HARP: Hierarchical Representation Learning for Networks

We present HARP, a novel method for learning low dimensional embeddings of a graph's nodes which preserves higher-order structural features. Our proposed method achieves this by compressing the input graph prior to embedding it, effectively avoiding troublesome embedding configurations (i.e. local minima) which can pose problems to non-convex optimization. HARP works by finding a smaller graph which approximates the global structure of its input. This simplified graph is used to learn a set of initial representations, which serve as good initializations for learning representations in the original, detailed graph. We inductively extend this idea, by decomposing a graph in a series of levels, and then embed the hierarchy of graphs from the coarsest one to the original graph. HARP is a general meta-strategy to improve all of the state-of-the-art neural algorithms for embedding graphs, including DeepWalk, LINE, and Node2vec. Indeed, we demonstrate that applying HARP's hierarchical paradigm yields improved implementations for all three of these methods, as evaluated on both classification tasks on real-world graphs such as DBLP, BlogCatalog, CiteSeer, and Arxiv, where we achieve a performance gain over the original implementations by up to 14% Macro F1.Comment: To appear in AAAI 201

Effectiveness of folic acid fortified flour for prevention of neural tube defects in a high risk region

Despite efforts to tackle folate deficiency and Neural Tube Defects (NTDs) through folic acid fortification, its implementation is still lacking where it is needed most, highlighting the need for studies that evaluate the effectiveness of folic acid fortified wheat flour in a poor, rural, high-risk, NTD region of China. One of the most affected regions, Shanxi Province, was selected as a case study. A community intervention was carried out in which 16,648 women of child-bearing age received fortified flour (eight villages) and a control group received ordinary flour (three villages). NTD birth prevalence and biological indicators were measured two years after program initiation at endline only. The effect on the NTD burden was calculated using the disability-adjusted life years (DALYs) method. In the intervention group, serum folate level was higher than in the control group. NTDs in the intervention group were 68.2% lower than in the control group (OR = 0.313, 95% CI = 0.207-0473, p < 0.001). In terms of DALYs, burden in intervention group was approximately 58.5% lower than in the control group. Flour fortification was associated with lower birth prevalence and burden of NTDs in economically developing regions with a high risk of NTDs. The positive findings confirm the potential of fortification when selecting an appropriate food vehicle and target region. As such, this study provides support for decision makers aiming for the implementation of (mandatory) folic acid fortification in China

Learning Edge Representations via Low-Rank Asymmetric Projections

We propose a new method for embedding graphs while preserving directed edge information. Learning such continuous-space vector representations (or embeddings) of nodes in a graph is an important first step for using network information (from social networks, user-item graphs, knowledge bases, etc.) in many machine learning tasks. Unlike previous work, we (1) explicitly model an edge as a function of node embeddings, and we (2) propose a novel objective, the "graph likelihood", which contrasts information from sampled random walks with non-existent edges. Individually, both of these contributions improve the learned representations, especially when there are memory constraints on the total size of the embeddings. When combined, our contributions enable us to significantly improve the state-of-the-art by learning more concise representations that better preserve the graph structure. We evaluate our method on a variety of link-prediction task including social networks, collaboration networks, and protein interactions, showing that our proposed method learn representations with error reductions of up to 76% and 55%, on directed and undirected graphs. In addition, we show that the representations learned by our method are quite space efficient, producing embeddings which have higher structure-preserving accuracy but are 10 times smaller

Computational and experimental demonstrations of one-pot tandem catalysis for electrochemical carbon dioxide reduction to methane

Electroreduction of carbon dioxide to hydrocarbons and oxygenates on copper involves reduction to a carbon monoxide adsorbate followed by further transformation to hydrocarbons and oxygenates. Simultaneous improvement of these processes over a single reactive site is challenging due to the linear scaling relationship of the binding strength of key intermediates. Herein, we report improved electroreduction of carbon dioxide by exploiting a one-pot tandem catalysis mechanism based on computational and electrochemical investigations. By constructing a well-defined copper-modified silver surface, adsorbed carbon monoxide generated on the silver sites is proposed to migrate to surface copper sites for the subsequent reduction to methane, which is consistent with insights gained from operando attenuated total reflectance surface enhanced infrared absorption spectroscopic investigations. Our results provide a promising approach for designing carbon dioxide electroreduction catalysts to enable one-pot reduction of products beyond carbon monoxide and formate

Few-shot Knowledge Graph Relational Reasoning via Subgraph Adaptation

Few-shot Knowledge Graph (KG) Relational Reasoning aims to predict unseen triplets (i.e., query triplets) for rare relations in KGs, given only several triplets of these relations as references (i.e., support triplets). This task has gained significant traction due to the widespread use of knowledge graphs in various natural language processing applications. Previous approaches have utilized meta-training methods and manually constructed meta-relation sets to tackle this task. Recent efforts have focused on edge-mask-based methods, which exploit the structure of the contextualized graphs of target triplets (i.e., a subgraph containing relevant triplets in the KG). However, existing edge-mask-based methods have limitations in extracting insufficient information from KG and are highly influenced by spurious information in KG. To overcome these challenges, we propose SAFER (Subgraph Adaptation for Few-shot Relational Reasoning), a novel approach that effectively adapts the information in contextualized graphs to various subgraphs generated from support and query triplets to perform the prediction. Specifically, SAFER enables the extraction of more comprehensive information from support triplets while minimizing the impact of spurious information when predicting query triplets. Experimental results on three prevalent datasets demonstrate the superiority of our proposed framework SAFER

GameFormer: Game-theoretic Modeling and Learning of Transformer-based Interactive Prediction and Planning for Autonomous Driving

Autonomous vehicles operating in complex real-world environments require accurate predictions of interactive behaviors between traffic participants. While existing works focus on modeling agent interactions based on their past trajectories, their future interactions are often ignored. This paper addresses the interaction prediction problem by formulating it with hierarchical game theory and proposing the GameFormer framework to implement it. Specifically, we present a novel Transformer decoder structure that uses the prediction results from the previous level together with the common environment background to iteratively refine the interaction process. Moreover, we propose a learning process that regulates an agent's behavior at the current level to respond to other agents' behaviors from the last level. Through experiments on a large-scale real-world driving dataset, we demonstrate that our model can achieve state-of-the-art prediction accuracy on the interaction prediction task. We also validate the model's capability to jointly reason about the ego agent's motion plans and other agents' behaviors in both open-loop and closed-loop planning tests, outperforming a variety of baseline methods