Multi-View Subgraph Neural Networks: Self-Supervised Learning with Scarce Labeled Data

While graph neural networks (GNNs) have become the de-facto standard for graph-based node classification, they impose a strong assumption on the availability of sufficient labeled samples. This assumption restricts the classification performance of prevailing GNNs on many real-world applications suffering from low-data regimes. Specifically, features extracted from scarce labeled nodes could not provide sufficient supervision for the unlabeled samples, leading to severe over-fitting. In this work, we point out that leveraging subgraphs to capture long-range dependencies can augment the representation of a node with homophily properties, thus alleviating the low-data regime. However, prior works leveraging subgraphs fail to capture the long-range dependencies among nodes. To this end, we present a novel self-supervised learning framework, called multi-view subgraph neural networks (Muse), for handling long-range dependencies. In particular, we propose an information theory-based identification mechanism to identify two types of subgraphs from the views of input space and latent space, respectively. The former is to capture the local structure of the graph, while the latter captures the long-range dependencies among nodes. By fusing these two views of subgraphs, the learned representations can preserve the topological properties of the graph at large, including the local structure and long-range dependencies, thus maximizing their expressiveness for downstream node classification tasks. Experimental results show that Muse outperforms the alternative methods on node classification tasks with limited labeled data.

Diffusion-Driven Domain Adaptation for Generating 3D Molecules

Can we train a molecule generator that can generate 3D molecules from a new domain, circumventing the need to collect data? This problem can be cast as the problem of domain adaptive molecule generation. This work presents a novel and principled diffusion-based approach, called GADM, that allows shifting a generative model to desired new domains without the need to collect even a single molecule. As the domain shift is typically caused by the structure variations of molecules, e.g., scaffold variations, we leverage a designated equivariant masked autoencoder (MAE) along with various masking strategies to capture the structural-grained representations of the in-domain varieties. In particular, with an asymmetric encoder-decoder module, the MAE can generalize to unseen structure variations from the target domains. These structure variations are encoded with an equivariant encoder and treated as domain supervisors to control denoising. We show that, with these encoded structural-grained domain supervisors, GADM can generate effective molecules within the desired new domains. We conduct extensive experiments across various domain adaptation tasks over benchmarking datasets. We show that our approach can improve up to 65.6% in terms of success rate defined based on molecular validity, uniqueness, and novelty compared to alternative baselines.

Practical Differentially Private and Byzantine-resilient Federated Learning

Privacy and Byzantine resilience are two indispensable requirements for a federated learning (FL) system. Although there have been extensive studies on privacy and Byzantine security in their own track, solutions that consider both remain sparse. This is due to difficulties in reconciling privacy-preserving and Byzantine-resilient algorithms. In this work, we propose a solution to such a two-fold issue. We use our version of differentially private stochastic gradient descent (DP-SGD) algorithm to preserve privacy and then apply our Byzantine-resilient algorithms. We note that while existing works follow this general approach, an in-depth analysis on the interplay between DP and Byzantine resilience has been ignored, leading to unsatisfactory performance. Specifically, for the random noise introduced by DP, previous works strive to reduce its impact on the Byzantine aggregation. In contrast, we leverage the random noise to construct an aggregation that effectively rejects many existing Byzantine attacks. We provide both theoretical proof and empirical experiments to show our protocol is effective: retaining high accuracy while preserving the DP guarantee and Byzantine resilience. Compared with the previous work, our protocol 1) achieves significantly higher accuracy even in a high privacy regime; 2) works well even when up to 90% of distributive workers are Byzantine.

SelfPromer: Self-Prompt Dehazing Transformers with Depth-Consistency

This work presents an effective depth-consistency self-prompt Transformer for image dehazing. It is motivated by an observation that the estimated depths of an image with haze residuals and its clear counterpart vary. Enforcing the depth consistency of dehazed images with clear ones, therefore, is essential for dehazing. For this purpose, we develop a prompt based on the features of depth differences between the hazy input images and corresponding clear counterparts that can guide dehazing models for better restoration. Specifically, we first apply deep features extracted from the input images to the depth difference features for generating the prompt that contains the haze residual information in the input. Then we propose a prompt embedding module that is designed to perceive the haze residuals, by linearly adding the prompt to the deep features. Further, we develop an effective prompt attention module to pay more attention to haze residuals for better removal. By incorporating the prompt, prompt embedding, and prompt attention into an encoder-decoder network based on VQGAN, we can achieve better perception quality. As the depths of clear images are not available at inference, and the dehazed images with one-time feed-forward execution may still contain a portion of haze residuals, we propose a new continuous self-prompt inference that can iteratively correct the dehazing model towards better haze-free image generation. Extensive experiments show that our method performs favorably against the state-of-the-art approaches on both synthetic and real-world datasets in terms of perception metrics including NIQE, PI, and PIQE.

1st ICLR International Workshop on Privacy, Accountability, Interpretability, Robustness, Reasoning on Structured Data (PAIR^2Struct)

Recent years have seen advances on principles and guidance relating to accountable and ethical use of artificial intelligence (AI) spring up around the globe. Specifically, Data Privacy, Accountability, Interpretability, Robustness, and Reasoning have been broadly recognized as fundamental principles of using machine learning (ML) technologies on decision-critical and/or privacy-sensitive applications. On the other hand, in tremendous real-world applications, data itself can be well represented as various structured formalisms, such as graph-structured data (e.g., networks), grid-structured data (e.g., images), sequential data (e.g., text), etc. By exploiting the inherently structured knowledge, one can design plausible approaches to identify and use more relevant variables to make reliable decisions, thereby facilitating real-world deployments.

OrphicX: A Causality-Inspired Latent Variable Model for Interpreting Graph Neural Networks

This paper proposes a new eXplanation framework, called OrphicX, for generating causal explanations for any graph neural networks (GNNs) based on learned latent causal factors. Specifically, we construct a distinct generative model and design an objective function that encourages the generative model to produce causal, compact, and faithful explanations. This is achieved by isolating the causal factors in the latent space of graphs by maximizing the information flow measurements. We theoretically analyze the cause-effect relationships in the proposed causal graph, identify node attributes as confounders between graphs and GNN predictions, and circumvent such confounder effect by leveraging the backdoor adjustment formula. Our framework is compatible with any GNNs, and it does not require access to the process by which the target GNN produces its predictions. In addition, it does not rely on the linear-independence assumption of the explained features, nor require prior knowledge on the graph learning tasks. We show a proof-of-concept of OrphicX on canonical classification problems on graph data. In particular, we analyze the explanatory subgraphs obtained from explanations for molecular graphs (i.e., Mutag) and quantitatively evaluate the explanation performance with frequently occurring subgraph patterns. Empirically, we show that OrphicX can effectively identify the causal semantics for generating causal explanations, significantly outperforming its alternatives.

Towards Private Learning on Decentralized Graphs with Local Differential Privacy

Many real-world networks are inherently decentralized. For example, in social networks, each user maintains a local view of a social graph, such as a list of friends and her profile. It is typical to collect these local views of social graphs and conduct graph learning tasks. However, learning over graphs can raise privacy concerns as these local views often contain sensitive information. In this paper, we seek to ensure private graph learning on a decentralized network graph. Towards this objective, we propose {\em Solitude}, a new privacy-preserving learning framework based on graph neural networks (GNNs), with formal privacy guarantees based on edge local differential privacy. The crux of {\em Solitude} is a set of new delicate mechanisms that can calibrate the introduced noise in the decentralized graph collected from the users. The principle behind the calibration is the intrinsic properties shared by many real-world graphs, such as sparsity. Unlike existing work on locally private GNNs, our new framework can simultaneously protect node feature privacy and edge privacy, and can seamlessly incorporate with any GNN with privacy-utility guarantees. Extensive experiments on benchmarking datasets show that {\em Solitude} can retain the generalization capability of the learned GNN while preserving the users' data privacy under given privacy budgets.

Generative Causal Explanations for Graph Neural Networks

This paper presents Gem, a model-agnostic approach for providing interpretable explanations for any GNNs on various graph learning tasks. Specifically, we formulate the problem of providing explanations for the decisions of GNNs as a causal learning task. Then we train a causal explanation model equipped with a loss function based on Granger causality. Different from existing explainers for GNNs, Gem explains GNNs on graph-structured data from a causal perspective. It has better generalization ability as it has no requirements on the internal structure of the GNNs or prior knowledge on the graph learning tasks. In addition, Gem, once trained, can be used to explain the target GNN very quickly. Our theoretical analysis shows that several recent explainers fall into a unified framework of additive feature attribution methods. Experimental results on synthetic and real-world datasets show that Gem achieves a relative increase of the explanation accuracy by up to $30\%$ and speeds up the explanation process by up to $110\times$ as compared to its state-of-the-art alternatives.

Shoestring: Graph-Based Semi-Supervised Learning with Severely Limited Labeled Data

Graph-based semi-supervised learning has been shown to be one of the most effective approaches for classification tasks from a wide range of domains, such as image classification and text classification, as they can exploit the connectivity patterns between labeled and unlabeled samples to improve learning performance. In this work, we advance this effective learning paradigm towards a scenario where labeled data are severely limited. More specifically, we address the problem of graph-based semi-supervised learning in the presence of severely limited labeled samples, and propose a new framework, called {\em Shoestring}, that improves the learning performance through semantic transfer from these very few labeled samples to large numbers of unlabeled samples. In particular, our framework learns a metric space in which classification can be performed by computing the similarity to centroid embedding of each class. {\em Shoestring} is trained in an end-to-end fashion to learn to leverage the semantic knowledge of limited labeled samples as well as their connectivity patterns with large numbers of unlabeled samples simultaneously. By combining {\em Shoestring} with graph convolutional networks, label propagation and their recent label-efficient variations (IGCN and GLP), we are able to achieve state-of-the-art node classification performance in the presence of very few labeled samples. In addition, we demonstrate the effectiveness of our framework on image classification tasks in the few-shot learning regime, with significant gains on miniImageNet ($2.57\%\sim3.59\%$) and tieredImageNet ($1.05\%\sim2.70\%$).