相关论文: Adversarial Stein Training for Graph Energy Models

Developing scalable solutions for training Graph Neural Networks (GNNs) for link prediction tasks is challenging due to the high data dependencies which entail high computational cost and huge memory footprint. We propose a new method for…

We introduce KBGAN, an adversarial learning framework to improve the performances of a wide range of existing knowledge graph embedding models. Because knowledge graphs typically only contain positive facts, sampling useful negative…

Graph neural networks (GNN) are a promising tool to predict magnetic properties of large multi-grain structures, which can speed up the search for rare-earth free permanent magnets. In this paper, we use our magnetic simulation data to…

Graph Neural Networks (GNNs) are powerful tools in representation learning for graphs. However, recent studies show that GNNs are vulnerable to carefully-crafted perturbations, called adversarial attacks. Adversarial attacks can easily fool…

We present a new method of training energy-based models (EBMs) for anomaly detection that leverages low-dimensional structures within data. The proposed algorithm, Manifold Projection-Diffusion Recovery (MPDR), first perturbs a data point…

Discovering distinct features and their relations from data can help us uncover valuable knowledge crucial for various tasks, e.g., classification. In neuroimaging, these features could help to understand, classify, and possibly prevent…

Automatic material discovery with desired properties is a fundamental challenge for material sciences. Considerable attention has recently been devoted to generating stable crystal structures. While existing work has shown impressive…

This study presents a deep learning approach to predicting structural and electronic properties of materials using Graph Neural Networks (GNNs). Leveraging data from the Materials Project database, we construct graph representations of…

Beta Basis Function Neural Network (BBFNN) is a special kind of kernel basis neural networks. It is a feedforward network typified by the use of beta function as a hidden activation function. Beta is a flexible transfer function…

Recent machine learning methods make it possible to model potential energy of atomic configurations with chemical-level accuracy (as calculated from ab-initio calculations) and at speeds suitable for molecular dynam- ics simulation. Best…

We present GERN, a novel scalable framework for training GNNs in node classification tasks, based on effective resistance, a standard tool in spectral graph theory. Our method progressively refines the GNN weights on a sequence of random…

Simultaneously achieving robust classification and high-fidelity generative modeling within a single framework presents a significant challenge. Hybrid approaches, such as Joint Energy-Based Models (JEM), interpret classifiers as EBMs but…

Graph Neural Networks (GNNs) have already been widely used in various graph mining tasks. However, recent works reveal that the learned weights (channels) in well-trained GNNs are highly redundant, which inevitably limits the performance of…

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

Global Autoregressive Models (GAMs) are a recent proposal [Parshakova et al., CoNLL 2019] for exploiting global properties of sequences for data-efficient learning of seq2seq models. In the first phase of training, an Energy-Based model…

Energy-based learning is a powerful learning paradigm that encapsulates various discriminative and generative approaches. An energy-based model (EBM) is typically formed of inner-model(s) that learn a combination of the different features…

We present Generalized Contrastive Divergence (GCD), a novel objective function for training an energy-based model (EBM) and a sampler simultaneously. GCD generalizes Contrastive Divergence (Hinton, 2002), a celebrated algorithm for…

The need for opponent modeling and tracking arises in several real-world scenarios, such as professional sports, video game design, and drug-trafficking interdiction. In this work, we present Graph based Adversarial Modeling with Mutal…

The vulnerability of deep networks to adversarial attacks is a central problem for deep learning from the perspective of both cognition and security. The current most successful defense method is to train a classifier using adversarial…

Graph neural networks (GNNs) is widely used to learn a powerful representation of graph-structured data. Recent work demonstrates that transferring knowledge from self-supervised tasks to downstream tasks could further improve graph…