ICLR'22 | 图机器学习最近都在研究什么?

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ICLR由Yann LeCun和Yoshua Bengio等大牛发起,在2013年成立了第一届会议,会议开创了公开评议机制(open review)。它虽然是一个很年轻的会议,但已经成为深度学习领域不容忽视的顶级会议之一。

图机器学习包括图神经网络的很多论文都发表在ICLR上,例如17ICLR的GCN,18ICLR的GAT,19ICLR的PPNP等等。

关注了一波ICLR'22的投稿后,发现了一些图机器学习的热门研究方向,包括大规模GNN的scalability问题,深度GNN的过平滑问题,GNN的可解释性,自监督GNN等等热门研究方向。

ICLR 2022网址:https://openreview.net/group?id=ICLR.cc/2022/Conference

1.Scalability

  • Sampling Before Training: Rethinking the Effect of Edges in the Process of Training Graph Neural Networks

  • SpSC: A Fast and Provable Algorithm for Sampling-Based GNN Training

  • Revisiting Layer-wise Sampling in Fast Training for Graph Convolutional Networks

  • Large-Scale Representation Learning on Graphs via Bootstrapping

  • EXACT: Scalable Graph Neural Networks Training via Extreme Activation Compression

  • PipeGCN: Efficient Full-Graph Training of Graph Convolutional Networks with Pipelined Feature Communication

  • Increase and Conquer: Training Graph Neural Networks on Growing Graphs

  • LSP : Acceleration and Regularization of Graph Neural Networks via Locality Sensitive Pruning of Graphs

  • Embedding Compression with Hashing for Efficient Representation Learning in Graph

  • Locality-Based Mini Batching for Graph Neural Networks

  • Coarformer: Transformer for large graph via graph coarsening

  • Inductive Lottery Ticket Learning for Graph Neural Networks

  • IGLU: Efficient GCN Training via Lazy Updates

  • Graph Attention Multi-layer Perceptron

  • Learn Locally, Correct Globally: A Distributed Algorithm for Training Graph Neural Networks

  • Full-Precision Free Binary Graph Neural Networks

  • Graph-less Neural Networks: Teaching Old MLPs New Tricks Via Distillation

  • D2-GCN: Data-Dependent GCNs for Boosting Both Efficiency and Scalability

  • Adaptive Filters for Low-Latency and Memory-Efficient Graph Neural Networks

2.Oversmoothing/Depth

  • DeeperGCN: All You Need to Train Deeper GCNs

  • Understanding Graph Learning with Local Intrinsic Dimensionality

  • RankedDrop: Enhancing Deep Graph Convolutional Networks Training

  • DEEP GRAPH TREE NETWORKS

  • Evaluating Deep Graph Neural Networks

  • How Frequency Effect Graph Neural Networks

  • Revisiting Over-smoothing in BERT from the Perspective of Graph

  • Towards Feature Overcorrelation in Deeper Graph Neural Networks

  • Tackling Oversmoothing of GNNs with Contrastive Learning

  • Implicit vs Unfolded Graph Neural Networks

  • Towards Deepening Graph Neural Networks: A GNTK-based Optimization Perspective

3.Explainability

  • Explainability in Graph Convolutional Network for Representation Learning

  • FlowX: Towards Explainable Graph Neural Networks via Message Flows

  • On Theoretically and Empirically Analyzing GNN Explanation Methods

  • Task-Agnostic Graph Neural Explanations

  • Deconfounding to Explanation Evaluation in Graph Neural Networks

  • DEGREE: Decomposition Based Explanation for Graph Neural Networks

  • Discovering Invariant Rationales for Graph Neural Networks

  • Interpreting Graph Neural Networks via Unrevealed Causal Learning

  • Explainable GNN-Based Models over Knowledge Graphs

4.Self-Supervision

  • ESCo: Towards Provably Effective and Scalable Contrastive Representation Learning

  • m-mix: Generating hard negatives via multiple samples mixing for contrastive learning

  • Rethinking Temperature in Graph Contrastive Learning

  • Graph Barlow Twins: A self-supervised representation learning framework for graphs

  • Automated Self-Supervised Learning for Graphs

  • Self-Supervised Representation Learning via Latent Graph Prediction

  • Interrogating Paradigms in Self-supervised Graph Representation Learning

  • Self-Supervised Graph Neural Networks for Improved Electroencephalographic Seizure Analysis

  • Node Feature Extraction by Self-Supervised Multi-scale Neighborhood Prediction

  • SS-MAIL: Self-Supervised Multi-Agent Imitation Learning

  • Learning Graph Augmentations to Learn Graph Representations

  • Robust Graph Data Learning with Latent Graph Convolutional Representation

5. Adversarial Attacks / Robustness

  • GARNET: A Spectral Approach to Robust and Scalable Graph Neural Networks

  • Defending Graph Neural Networks via Tensor-Based Robust Graph Aggregation

  • A General Unified Graph Neural Network Framework Against Adversarial Attacks

  • Beyond Message Passing Paradigm: Training Graph Data with Consistency Constraints

  • Adversarial Weight Perturbation Improves Generalization in Graph Neural Networks

  • Bandits for Black-box Attacks to Graph Neural Networks with Structure Perturbation

  • Understanding and Improving Graph Injection Attack by Promoting Unnoticeability

6.Heterophily

  • On the Relationship between Heterophily and Robustness of Graph Neural Networks

  • Two Sides of the Same Coin: Heterophily and Oversmoothing in Graph Convolutional Neural Networks

  • An Interpretable Graph Generative Model with Heterophily

  • Is Heterophily A Real Nightmare For Graph Neural Networks on Performing Node Classification?

  • Is Homophily a Necessity for Graph Neural Networks?

  • Graph Information Matters: Understanding Graph Filters from Interaction Probability

  • GCN-SL: Graph Convolutional Network with Structure Learning for Disassortative Graphs

7. Heterogeneous Graphs

  • Equivariant Heterogeneous Graph Networks

  • Molecular Graph Representation Learning via Heterogeneous Motif Graph Construction

  • R-GSN: The Relation-based Graph Similar Network for Heterogeneous Graph

8. Multi-Relational Graphs

  • NodePiece: Compositional and Parameter-Efficient Representations of Large Knowledge Graphs

  • Neural Methods for Logical Reasoning over Knowledge Graphs

  • Time-aware Relational Graph Attention Network for Temporal Knowledge Graph Embeddings

  • A Topological View of Rule Learning in Knowledge Graphs

  • CareGraph: A Graph-based Recommender System for Diabetes Self-Care

  • Relational Multi-Task Learning: Modeling Relations between Data and Tasks

  • Inductive Relation Prediction Using Analogy Subgraph Embeddings

9. Hyper-relational Knowledge Graphs

  • Message Function Search for Hyper-relational Knowledge Graph

  • Query Embedding on Hyper-Relational Knowledge Graphs

10. Hypergraphs

  • You are AllSet: A Multiset Function Framework for Hypergraph Neural Networks

  • Hypergraph Convolutional Networks via Equivalency  between  Hypergraphs and Undirected Graphs

  • On the Expressiveness and Learning of Relational Neural Networks on Hypergraphs

  • A molecular hypergraph convolutional network with functional group information

  • Efficient Training and Inference of Hypergraph Reasoning Networks

  • FEATURE-AUGMENTED HYPERGRAPH NEURAL NETWORKS

  • GENERALIZING LINK PREDICTION FOR HYPERGRAPHS

11. Link Prediction

  • Revisiting Virtual Nodes in Graph Neural Networks for Link Prediction

  • Counterfactual Graph Learning for Link Prediction

  • Benchmarking Graph Neural Networks on Dynamic Link Prediction

  • Few-shot graph link prediction with domain adaptation

  • Neural Link Prediction with Walk Pooling

12. Graph Classification

  • GiG: Graph in Graph, a model boosting graph classification and representation learning

  • G-Mixup: Graph Augmentation for Graph Classification

  • Structural Optimization Makes Graph Classification Simpler and Better

  • Intrusion-Free Graph Mixup

  • The Infinite Contextual Graph Markov Model

  • Geometric Random Walk Graph Neural Networks via Implicit Layers

  • Wasserstein Weisfeiler-Lehman Subtree Distance for Graph-Structured Data

  • Adaptive Graph Capsule Convolutional Networks

13. Expressivity

  • Expressiveness and Approximation Properties of Graph Neural Networks

  • Counting Substructures with Higher-Order Graph Neural Networks:  Possibility and Impossibility Results

  • A New Perspective on "How Graph Neural Networks Go Beyond Weisfeiler-Lehman?"

  • Equivariant and Stable Positional Encoding for More Powerful Graph Neural Networks

  • On Locality in Graph Learning via Graph Neural Network

  • On the Effect of Input Perturbations for Graph Neural Networks

  • Local Permutation Equivariance For Graph Neural Networks

  • How Attentive are Graph Attention Networks?

14. Subgraphs

  • Equivariant Subgraph Aggregation Networks

  • Count-GNN: Graph Neural Networks for Subgraph Isomorphism Counting

  • From Stars to Subgraphs: Uplifting Any GNN with Local Structure Awareness

  • NeuroSED: Learning Subgraph Similarity via Graph Neural Networks

  • Learning Representations of Partial Subgraphs by Subgraph InfoMax

  • GLASS: GNN with Labeling Tricks for Subgraph Representation Learning

15. Equivariance

  • Frame Averaging for Invariant and Equivariant Network Design

  • Geometric and Physical Quantities improve E(3) Equivariant Message Passing

  • Symmetry-driven graph neural networks

16. Generalisability

  • Towards Distribution Shift of Node-Level Prediction on Graphs: An Invariance Perspective

  • A Closer Look at Distribution Shifts and Out-of-Distribution Generalization on Graphs

  • Learning Two-Step Hybrid Policy for Graph-Based Interpretable Reinforcement Learning

17. Graph Generative Models: Evaluation Metrics

  • On Evaluation Metrics for Graph Generative Models

  • Evaluation Metrics for Graph Generative Models: Problems, Pitfalls, and Practical Solutions

18. Proteins

  • Fast fixed-backbone protein sequence and rotamer design

  • Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking

  • De novo design of protein target specific scaffold-based Inhibitors via Reinforcement Learning

  • An Effective GCN-based Hierarchical Multi-label classification for Protein Function Prediction

  • Geometric Transformers for Protein Interface Contact Prediction

  • Iterative Refinement Graph Neural Network for Antibody Sequence-Structure Co-design

  • Granger causal inference on DAGs identifies genomic loci regulating transcription

19. Molecules

  • Spanning Tree-based Graph Generation for Molecules

  • Molecular Graph Generation via Geometric Scattering

  • Generating Realistic 3D Molecules with an Equivariant Conditional Likelihood Model

  • Chemical-Reaction-Aware Molecule Representation Learning

  • Relative Molecule Self-Attention Transformer

  • Differentiable Scaffolding Tree for Molecule Optimization

  • MS2-Transformer: An End-to-End Model for MS/MS-assisted Molecule Identification

  • Graph Piece: Efficiently Generating High-Quality Molecular Graphs with Substructures

  • Pre-training Molecular Graph Representation with 3D Geometry

  • Spherical Message Passing for 3D Molecular Graphs

  • GraphEBM: Towards Permutation Invariant and Multi-Objective Molecular Graph Generation

  • Data-Efficient Graph Grammar Learning for Molecular Generation

  • Learning to Extend Molecular Scaffolds with Structural Motifs

  • Stepping Back to SMILES Transformers for Fast Molecular Representation Inference

  • An Autoregressive Flow Model for 3D Molecular Geometry Generation from Scratch

  • Learning 3D Representations of Molecular Chirality with Invariance to Bond Rotations

  • GeoDiff: A Geometric Diffusion Model for Molecular Conformation Generation

  • 3D-Transformer: Molecular Representation with Transformer in 3D Space

  • Crystal Diffusion Variational Autoencoder for Periodic Material Generation

  • Knowledge Guided Geometric Editing for Unsupervised Drug Design

  • Spatial Graph Attention and Curiosity-driven Policy for Antiviral Drug Discovery

  • MoReL: Multi-omics Relational Learning

20. Molecular Property Prediction

  • 3D Pre-training improves GNNs for Molecular Property Prediction

  • Simple GNN Regularisation for 3D Molecular Property Prediction and Beyond

21. Retrosynthesis

  • SemiRetro: Semi-template framework boosts deep retrosynthesis prediction

  • Permutation invariant graph-to-sequence model for template-free retrosynthesis and reaction prediction

22. Time Series

  • Evaluating the Robustness of Time Series Anomaly and Intrusion Detection Methods against Adversarial Attacks

  • Spatiotemporal Representation Learning on Time Series with Dynamic Graph ODEs

  • Multivariate Time Series Forecasting with Latent Graph Inference

  • TAMP-S2GCNets: Coupling Time-Aware Multipersistence Knowledge Representation with Spatio-Supra Graph Convolutional Networks for Time-Series Forecasting

  • Neural graphical modelling in continuous-time: consistency guarantees and algorithms

  • Filling the G_ap_s: Multivariate Time Series Imputation by Graph Neural Networks

  • Graph-Guided Network for Irregularly Sampled Multivariate Time Series

  • GAETS: A Graph Autoencoder Time Series Approach Towards Battery Parameter Estimation

  • Graph-Augmented Normalizing Flows for Anomaly Detection of Multiple Time Series

  • Back2Future: Leveraging Backfill Dynamics for Improving Real-time Predictions in Future

  • Causal discovery from conditionally stationary time-series

23. PDE

Message Passing Neural PDE Solvers

  • Learning Time-dependent PDE Solver using Message Passing Graph Neural Networks

  • Learning to Solve PDE-constrained Inverse Problems with Graph Networks

24. Physics

  • SiT: Simulation Transformer for Particle-based Physics Simulation

  • Predicting Physics in Mesh-reduced Space with Temporal Attention

  • KINet: Keypoint Interaction Networks for Unsupervised Forward Modeling

  • Constraint-based graph network simulator

  • Boundary Graph Neural Networks for 3D Simulations

  • Constrained Graph Mechanics Networks

  • Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions

  • Learning the Dynamics of Physical Systems from Sparse Observations with Finite Element Networks

25. Dynamic / Temporal Graphs

  • Dynamic Graph Representation Learning via Graph Transformer Networks

  • Metric Learning on Temporal Graphs via Few-Shot Examples

  • Online graph nets

  • Space-Time Graph Neural Networks

  • Convolutional Neural Network Dynamics: A Graph Perspective

26. Traffic

  • Simpler can be better: Multi-level Abstraction with Graph Convolution Recurrent Neural Network cells for Traffic Prediction

  • Learning to Remember Patterns: Pattern Matching Memory Networks for Traffic Forecasting

  • A multi-domain splitting framework for time-varying graph structure

27. Combinatorial Optimisation

  • Learning to Solve Combinatorial Problems via Efficient Exploration

  • Graph Neural Network Guided Local Search for the Traveling Salesperson Problem

  • Edge Rewiring Goes Neural: Boosting Network Resilience via Policy Gradient

  • Learning to Solve an Order Fulfillment Problem in Milliseconds with Edge-Feature-Embedded Graph Attention

  • Neural Models for Output-Space Invariance in Combinatorial Problems

  • What’s Wrong with Deep Learning in Tree Search for Combinatorial Optimization

  • Mind Your Solver! On Adversarial Attack and Defense for Combinatorial Optimization

28. Natural Language Processing

  • Crossformer: Transformer with Alternated Cross-Layer Guidance

  • Constituency Tree Representation for Argument Unit Recognition

  • Learning Object-Oriented Dynamics for Planning from Text

  • Fact-driven Logical Reasoning- Fact-driven Logical Reasoning

29. Language Modelling

  • GNN-LM: Language Modeling based on Global Contexts via GNN

  • Understanding Knowledge Integration in Language Models with Graph Convolutions

  • GreaseLM: Graph REASoning Enhanced Language Models

30. Question Answering

  • KG-FiD: Infusing Knowledge Graph in Fusion-in-Decoder for Open-Domain Question Answering

  • GNN is a Counter? Revisiting GNN for Question Answering

31. Computer Vision

  • Graph Similarities and Dual Approach for Sequential Text-to-Image Retrieval

  • Breaking Down Questions for Outside-Knowledge VQA

  • Towards Generic Interface for Human-Neural Network Knowledge Exchange

  • Revisiting Skeleton-based Action Recognition

  • Unified Recurrence Modeling for Video Action Anticipation

  • From Graph Local Embedding to Deep Metric Learning

  • Ada-NETS: Face Clustering via Adaptive Neighbour Discovery in the Structure Space

  • SSR-GNNs: Stroke-based Sketch Representation with Graph Neural Networks

  • Knowledge-driven Scene Priors for Semantic Audio-Visual Embodied Navigation

32. Point Clouds

  • Rethinking Network Design and Local Geometry in Point Cloud: A Simple Residual MLP Framework

  • Concentric Spherical GNN for 3D Representation Learning

33. Fairness

  • Fair Node Representation Learning via Adaptive Data Augmentation

  • Generalized Demographic Parity for Group Fairness

34. Privacy/Federated Learning

  • Node-Level Differentially Private Graph Neural Networks

  • Federated Learning with Heterogeneous Architectures using Graph HyperNetworks

  • Federated Inference through Aligning Local Representations and Learning a Consensus Graph

35. Programming

  • GRAPHIX: A Pre-trained Graph Edit Model for Automated Program Repair

  • Exploring General Intelligence of Program Analysis for Multiple Tasks

  • ReGVD: Revisiting Graph Neural Networks for Vulnerability Detection

36. Multi-Agent Learning

  • Transform2Act: Learning a Transform-and-Control Policy for Efficient Agent Design

  • LPMARL: Linear Programming based Implicit Task Assigment for Hiearchical Multi-Agent Reinforcement Learning

  • ScheduleNet: Learn to solve multi-agent scheduling problems with reinforcement learning

  • Help Me Explore: Minimal Social Interventions for Graph-Based Autotelic Agents

  • A Multi-Agent Koopman Operator Approach for Distributed Representation Learning of Networked Dynamical Systems

  • Multi-Agent Decentralized Belief Propagation on Graphs

  • Context-Aware Sparse Deep Coordination Graphs

  • Learning to Solve Multi-Robot Task Allocation with a Covariant-Attention based Neural Architecture

37. Stochastic Block Models

  • LEARNING GUARANTEES FOR GRAPH CONVOLUTIONAL NETWORKS ON THE STOCHASTIC BLOCK MODEL

  • DIGRAC: Digraph Clustering Based on Flow Imbalance

38. Architecture Search

  • AutoCoG: A Unified Data-Modal Co-Search Framework for Graph Neural Networks

  • A Transferable General-Purpose Predictor for Neural Architecture Search

39. Healthcare

  • Using Graph Representation Learning with Schema Encoders to Measure the Severity of Depressive Symptoms

  • Deep Representations for Time-varying Brain Datasets

  • A Biologically Interpretable Graph Convolutional Network to Link Genetic Risk Pathways and Imaging Phenotypes of Disease

40. Miscellaneous

  • Neural Structured Prediction for Inductive Node Classification

  • Embedding models through the lens of Stable Coloring

  • GraphENS: Neighbor-Aware Ego Network Synthesis for Class-Imbalanced Node Classification

  • PI-GNN: Towards Robust Semi-Supervised Node Classification against Noisy Labels

  • PERSONALIZED LAB TEST RESPONSE PREDICTION WITH KNOWLEDGE AUGMENTATION

  • Learning Scenario Representation for Solving Two-stage Stochastic Integer Programs

  • WeaveNet: A Differentiable Solver for Non-linear Assignment Problems

  • Factored World Models for Zero-Shot Generalization in Robotic Manipulation

  • On Exploring Node-feature and Graph-structure Diversities for Node Drop Graph Pooling

  • Learning Graph Structure from Convolutional Mixtures

  • Large-Scale Adversarial Attacks on Graph Neural Networks via Graph Coarsening

  • Graph Condensation for Graph Neural Networks

  • Graph Kernel Neural Networks

  • Multiresolution Equivariant Graph Variational Autoencoder

  • Backpropagation-free Graph Convolutional Networks

  • Graph Neural Networks with Learnable Structural and Positional Representations

  • NAFS: A Simple yet Tough-to-Beat Baseline for Graph Representation Learning

  • SpecTRA: Spectral Transformer for Graph Representation Learning

  • A Deep Latent Space Model for Directed Graph Representation Learning

  • Convergent Graph Solvers

  • Effective Polynomial Filter Adaptation for Graph Neural Networks

  • G3: Representation Learning and Generation for Geometric Graphs

  • On the Unreasonable Effectiveness of Feature Propagation in Learning on Graphs with Missing Node Features

  • PF-GNN: Differentiable particle filtering based approximation of universal graph representations

  • Learning Graph Representations for Influence Maximization

  • Connecting Graph Convolution and Graph PCA

  • p-Laplacian Based Graph Neural Networks

  • PACE: A Parallelizable Computation Encoder for Directed Acyclic Graphs

  • Topological Graph Neural Networks

  • Towards Training Billion Parameter Graph Neural Networks for Atomic Simulations

  • Top-N: Equivariant Set and Graph Generation without Exchangeability

  • An Analysis of Attentive Walk-Aggregating Graph Neural Networks

  • Input Convex Graph Neural Networks: An Application to Optimal Control and Design Optimization

  • Spiking Graph Convolutional Networks

  • Trading Quality for Efficiency of Graph Partitioning: An Inductive Method across Graphs

  • Graph Auto-Encoder via Neighborhood Wasserstein Reconstruction

  • Personalized PageRank meets Graph Attention Networks

  • Understanding over-squashing and bottlenecks on graphs via curvature

  • Weakly Supervised Graph Clustering

  • Graph Tree Neural Networks

  • Open Set Domain Adaptation with Zero-shot Learning on Graph

  • Graph Convolutional Memory using Topological Priors

  • Learning to Pool in Graph Neural Networks for Extrapolation

  • Edge Partition Modulated Graph Convolutional Networks

  • Local Augmentation for Graph Neural Networks

  • GRAND++: Graph Neural Diffusion with A Source Term

  • Learning to Schedule Learning rate with Graph Neural Networks

  • Genome Sequence Reconstruction Using Gated Graph Convolutional Network

  • Graph Convolutional Networks via Adaptive Filter Banks

  • SONG: Self-Organizing Neural Graphs

  • Information Gain Propagation: a New Way to Graph Active Learning with Soft Labels

  • Cold Brew: Distilling Graph Node Representations with Incomplete or Missing Neighborhoods

  • GIR Framework: Learning Graph Positional Embeddings with Anchor Indication and Path Encoding

  • Why Propagate Alone? Parallel Use of Labels and Features on Graphs

  • Stabilized Self-training with Negative Sampling on Few-labeled Graph Data

  • Accelerating Optimization using Neural Reparametrization

  • Convergence of Generalized Belief Propagation Algorithm on Graphs with Motifs

  • Convolutional Networks on Enhanced Message-Passing Graph Improve Semi-Supervised Classification with Few Labels

  • Efficient Ensembles of Graph Neural Networks

  • Learning to Infer the Structure of Network Games

  • Convergent Boosted Smoothing for Modeling GraphData with Tabular Node Features

  • Neural Relational Inference with Node-Specific Information

  • Triangle and Four Cycle Counting with Predictions in Graph Streams

  • Neurally boosted supervised spectral clustering

  • Structure-Aware Transformer Policy for Inhomogeneous Multi-Task Reinforcement Learning

  • Reasoning-Modulated Representations

  • Know Your Action Set: Learning Action Relations for Reinforcement Learning

  • Second-Order Unsupervised Feature Selection via Knowledge Contrastive Distillation


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