Related papers: Graph Contrastive Learning for Materials

Graph contrastive learning (GCL) has demonstrated great promise for learning generalizable graph representations from unlabeled data. However, conventional GCL approaches face two critical limitations: (1) the restricted expressive capacity…

Reticular materials, including metal-organic frameworks and covalent organic frameworks, combine relative ease of synthesis and an impressive range of applications in various fields, from gas storage to biomedicine. Diverse properties arise…

Many machine learning techniques have been proposed in the last few years to process data represented in graph-structured form. Graphs can be used to model several scenarios, from molecules and materials to RNA secondary structures. Several…

Memorization studies of deep neural networks (DNNs) help to understand what patterns and how do DNNs learn, and motivate improvements to DNN training approaches. In this work, we investigate the memorization properties of SimCLR, a widely…

Graph contrastive learning (GCL) aims to align the positive features while differentiating the negative features in the latent space by minimizing a pair-wise contrastive loss. As the embodiment of an outstanding discriminative unsupervised…

Contrastive learning (CL) has recently been demonstrated critical in improving recommendation performance. The underlying principle of CL-based recommendation models is to ensure the consistency between representations derived from…

Graph contrastive learning (GCL) has emerged as a promising approach to enhance graph neural networks' (GNNs) ability to learn rich representations from unlabeled graph-structured data. However, current GCL models face challenges with…

Graph Neural Networks (GNNs) have become powerful tools in modeling graph-structured data in recommender systems. However, real-life recommendation scenarios usually involve heterogeneous relationships (e.g., social-aware user influence,…

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

The self-supervised learning (SSL) paradigm is an essential exploration area, which tries to eliminate the need for expensive data labeling. Despite the great success of SSL methods in computer vision and natural language processing, most…

Many Click-Through Rate (CTR) prediction works focused on designing advanced architectures to model complex feature interactions but neglected the importance of feature representation learning, e.g., adopting a plain embedding layer for…

A curriculum is a planned sequence of learning materials and an effective one can make learning efficient and effective for both humans and machines. Recent studies developed effective data-driven curriculum learning approaches for training…

Machine learning (ML) is widely used to explore crystal materials and predict their properties. However, the training is time-consuming for deep-learning models, and the regression process is a black box that is hard to interpret. Also, the…

Machine Learning (ML) is accelerating the progress of materials prediction and classification, with particular success in CGNN designs. While classical ML methods remain accessible, advanced deep networks are still challenging to build and…

Graph representation learning is fundamental for analyzing graph-structured data. Exploring invariant graph representations remains a challenge for most existing graph representation learning methods. In this paper, we propose a cross-view…

Foundation models have achieved great success in natural language processing (NLP) and computer vision (CV). Their success largely stems from the ability to integrate multi-domain knowledge in pre-training and transfer it to target domains.…

Contrastive deep graph clustering (CDGC) leverages the power of contrastive learning to group nodes into different clusters. The quality of contrastive samples is crucial for achieving better performance, making augmentation techniques a…

Contrastive pretraining is well-known to improve downstream task performance and model generalisation, especially in limited label settings. However, it is sensitive to the choice of augmentation pipeline. Positive pairs should preserve…

This paper studies the problem of class-imbalanced graph classification, which aims at effectively classifying the graph categories in scenarios with imbalanced class distributions. While graph neural networks (GNNs) have achieved…

Graph contrastive learning (GCL) aligns node representations by classifying node pairs into positives and negatives using a selection process that typically relies on establishing correspondences within two augmented graphs. The…