Scalable Graph Self-Supervised Learning

In regularization Self-Supervised Learning (SSL) methods for graphs, computational complexity increases with the number of nodes in graphs and embedding dimensions. To mitigate the scalability of non-contrastive graph SSL, we propose a novel approach to reduce the cost of computing the covariance matrix for the pre-training loss function with volume-maximization terms. Our work focuses on reducing the cost associated with the loss computation via graph node or dimension sampling. We provide theoretical insight into why dimension sampling would result in accurate loss computations and support it with mathematical derivation of the novel approach. We develop our experimental setup on the node-level graph prediction tasks, where SSL pre-training has shown to be difficult due to the large size of real world graphs. Our experiments demonstrate that the cost associated with the loss computation can be reduced via node or dimension sampling without lowering the downstream performance. Our results demonstrate that sampling mostly results in improved downstream performance. Ablation studies and experimental analysis are provided to untangle the role of the different factors in the experimental setup.

WERank: Towards Rank Degradation Prevention for Self-Supervised Learning Using Weight Regularization

A common phenomena confining the representation quality in Self-Supervised Learning (SSL) is dimensional collapse (also known as rank degeneration), where the learned representations are mapped to a low dimensional subspace of the representation space. The State-of-the-Art SSL methods have shown to suffer from dimensional collapse and fall behind maintaining full rank. Recent approaches to prevent this problem have proposed using contrastive losses, regularization techniques, or architectural tricks. We propose WERank, a new regularizer on the weight parameters of the network to prevent rank degeneration at different layers of the network. We provide empirical evidence and mathematical justification to demonstrate the effectiveness of the proposed regularization method in preventing dimensional collapse. We verify the impact of WERank on graph SSL where dimensional collapse is more pronounced due to the lack of proper data augmentation. We empirically demonstrate that WERank is effective in helping BYOL to achieve higher rank during SSL pre-training and consequently downstream accuracy during evaluation probing. Ablation studies and experimental analysis shed lights on the underlying factors behind the performance gains of the proposed approach.

ExGRG: Explicitly-Generated Relation Graph for Self-Supervised Representation Learning

Self-supervised Learning (SSL) has emerged as a powerful technique in pre-training deep learning models without relying on expensive annotated labels, instead leveraging embedded signals in unlabeled data. While SSL has shown remarkable success in computer vision tasks through intuitive data augmentation, its application to graph-structured data poses challenges due to the semantic-altering and counter-intuitive nature of graph augmentations. Addressing this limitation, this paper introduces a novel non-contrastive SSL approach to Explicitly Generate a compositional Relation Graph (ExGRG) instead of relying solely on the conventional augmentation-based implicit relation graph. ExGRG offers a framework for incorporating prior domain knowledge and online extracted information into the SSL invariance objective, drawing inspiration from the Laplacian Eigenmap and Expectation-Maximization (EM). Employing an EM perspective on SSL, our E-step involves relation graph generation to identify candidates to guide the SSL invariance objective, and M-step updates the model parameters by integrating the derived relational information. Extensive experimentation on diverse node classification datasets demonstrates the superiority of our method over state-of-the-art techniques, affirming ExGRG as an effective adoption of SSL for graph representation learning.

Todyformer: Towards Holistic Dynamic Graph Transformers with Structure-Aware Tokenization

Temporal Graph Neural Networks have garnered substantial attention for their capacity to model evolving structural and temporal patterns while exhibiting impressive performance. However, it is known that these architectures are encumbered by issues that constrain their performance, such as over-squashing and over-smoothing. Meanwhile, Transformers have demonstrated exceptional computational capacity to effectively address challenges related to long-range dependencies. Consequently, we introduce Todyformer-a novel Transformer-based neural network tailored for dynamic graphs. It unifies the local encoding capacity of Message-Passing Neural Networks (MPNNs) with the global encoding of Transformers through i) a novel patchifying paradigm for dynamic graphs to improve over-squashing, ii) a structure-aware parametric tokenization strategy leveraging MPNNs, iii) a Transformer with temporal positional-encoding to capture long-range dependencies, and iv) an encoding architecture that alternates between local and global contextualization, mitigating over-smoothing in MPNNs. Experimental evaluations on public benchmark datasets demonstrate that Todyformer consistently outperforms the state-of-the-art methods for downstream tasks. Furthermore, we illustrate the underlying aspects of the proposed model in effectively capturing extensive temporal dependencies in dynamic graphs.

DyG2Vec: Representation Learning for Dynamic Graphs with Self-Supervision

The challenge in learning from dynamic graphs for predictive tasks lies in extracting fine-grained temporal motifs from an ever-evolving graph. Moreover, task labels are often scarce, costly to obtain, and highly imbalanced for large dynamic graphs. Recent advances in self-supervised learning on graphs demonstrate great potential, but focus on static graphs. State-of-the-art (SoTA) models for dynamic graphs are not only incompatible with the self-supervised learning (SSL) paradigm but also fail to forecast interactions beyond the very near future. To address these limitations, we present DyG2Vec, an SSL-compatible, efficient model for representation learning on dynamic graphs. DyG2Vec uses a window-based mechanism to generate task-agnostic node embeddings that can be used to forecast future interactions. DyG2Vec significantly outperforms SoTA baselines on benchmark datasets for downstream tasks while only requiring a fraction of the training/inference time. We adapt two SSL evaluation mechanisms to make them applicable to dynamic graphs and thus show that SSL pre-training helps learn more robust temporal node representations, especially for scenarios with few labels.

ROOD-MRI: Benchmarking the robustness of deep learning segmentation models to out-of-distribution and corrupted data in MRI

Deep artificial neural networks (DNNs) have moved to the forefront of medical image analysis due to their success in classification, segmentation, and detection challenges. A principal challenge in large-scale deployment of DNNs in neuroimage analysis is the potential for shifts in signal-to-noise ratio, contrast, resolution, and presence of artifacts from site to site due to variances in scanners and acquisition protocols. DNNs are famously susceptible to these distribution shifts in computer vision. Currently, there are no benchmarking platforms or frameworks to assess the robustness of new and existing models to specific distribution shifts in MRI, and accessible multi-site benchmarking datasets are still scarce or task-specific. To address these limitations, we propose ROOD-MRI: a platform for benchmarking the Robustness of DNNs to Out-Of-Distribution (OOD) data, corruptions, and artifacts in MRI. The platform provides modules for generating benchmarking datasets using transforms that model distribution shifts in MRI, implementations of newly derived benchmarking metrics for image segmentation, and examples for using the methodology with new models and tasks. We apply our methodology to hippocampus, ventricle, and white matter hyperintensity segmentation in several large studies, providing the hippocampus dataset as a publicly available benchmark. By evaluating modern DNNs on these datasets, we demonstrate that they are highly susceptible to distribution shifts and corruptions in MRI. We show that while data augmentation strategies can substantially improve robustness to OOD data for anatomical segmentation tasks, modern DNNs using augmentation still lack robustness in more challenging lesion-based segmentation tasks. We finally benchmark U-Nets and transformer-based models, finding consistent differences in robustness to particular classes of transforms across architectures.

Video action recognition for lane-change classification and prediction of surrounding vehicles

In highway scenarios, an alert human driver will typically anticipate early cut-in/cut-out maneuvers of surrounding vehicles using visual cues mainly. Autonomous vehicles must anticipate these situations at an early stage too, to increase their safety and efficiency. In this work, lane-change recognition and prediction tasks are posed as video action recognition problems. Up to four different two-stream-based approaches, that have been successfully applied to address human action recognition, are adapted here by stacking visual cues from forward-looking video cameras to recognize and anticipate lane-changes of target vehicles. We study the influence of context and observation horizons on performance, and different prediction horizons are analyzed. The different models are trained and evaluated using the PREVENTION dataset. The obtained results clearly demonstrate the potential of these methodologies to serve as robust predictors of future lane-changes of surrounding vehicles proving an accuracy higher than 90% in time horizons of between 1-2 seconds.

Contextual Interference Reduction by Selective Fine-Tuning of Neural Networks

Feature disentanglement of the foreground target objects and the background surrounding context has not been yet fully accomplished. The lack of network interpretability prevents advancing for feature disentanglement and better generalization robustness. We study the role of the context on interfering with a disentangled foreground target object representation in this work. We hypothesize that the representation of the surrounding context is heavily tied with the foreground object due to the dense hierarchical parametrization of convolutional networks with under-constrained learning algorithms. Working on a framework that benefits from the bottom-up and top-down processing paradigms, we investigate a systematic approach to shift learned representations in feedforward networks from the emphasis on the irrelevant context to the foreground objects. The top-down processing provides importance maps as the means of the network internal self-interpretation that will guide the learning algorithm to focus on the relevant foreground regions towards achieving a more robust representations. We define an experimental evaluation setup with the role of context emphasized using the MNIST dataset. The experimental results reveal not only that the label prediction accuracy is improved but also a higher degree of robustness to the background perturbation using various noise generation methods is obtained.

Two-Stream Networks for Lane-Change Prediction of Surrounding Vehicles

In highway scenarios, an alert human driver will typically anticipate early cut-in and cut-out maneuvers of surrounding vehicles using only visual cues. An automated system must anticipate these situations at an early stage too, to increase the safety and the efficiency of its performance. To deal with lane-change recognition and prediction of surrounding vehicles, we pose the problem as an action recognition/prediction problem by stacking visual cues from video cameras. Two video action recognition approaches are analyzed: two-stream convolutional networks and spatiotemporal multiplier networks. Different sizes of the regions around the vehicles are analyzed, evaluating the importance of the interaction between vehicles and the context information in the performance. In addition, different prediction horizons are evaluated. The obtained results demonstrate the potential of these methodologies to serve as robust predictors of future lane-changes of surrounding vehicles in time horizons between 1 and 2 seconds.

Compact Neural Representation Using Attentive Network Pruning

Deep neural networks have evolved to become power demanding and consequently difficult to apply to small-size mobile platforms. Network parameter reduction methods have been introduced to systematically deal with the computational and memory complexity of deep networks. We propose to examine the ability of attentive connection pruning to deal with redundancy reduction in neural networks as a contribution to the reduction of computational demand. In this work, we describe a Top-Down attention mechanism that is added to a Bottom-Up feedforward network to select important connections and subsequently prune redundant ones at all parametric layers. Our method not only introduces a novel hierarchical selection mechanism as the basis of pruning but also remains competitive with previous baseline methods in the experimental evaluation. We conduct experiments using different network architectures on popular benchmark datasets to show high compression ratio is achievable with negligible loss of accuracy.