相关论文: Curvature-informed multi-task learning for graph n…

Plasticity, the ability of a neural network to quickly change its predictions in response to new information, is essential for the adaptability and robustness of deep reinforcement learning systems. Deep neural networks are known to lose…

We present two architectures for multi-task learning with neural sequence models. Our approach allows the relationships between different tasks to be learned dynamically, rather than using an ad-hoc pre-defined structure as in previous…

Graph neural networks (GNNs) often struggle to learn discriminative node representations for heterophilic graphs, where connected nodes tend to have dissimilar labels and feature similarity provides weak structural cues. We propose…

We study the average case performance of multi-task Gaussian process (GP) regression as captured in the learning curve, i.e. the average Bayes error for a chosen task versus the total number of examples $n$ for all tasks. For GP covariances…

Multitask learning (MTL) aims to learn multiple tasks simultaneously through the interdependence between different tasks. The way to measure the relatedness between tasks is always a popular issue. There are mainly two ways to measure…

Graph convolutional neural networks (GCNNs) have become a machine learning workhorse for screening the chemical space of crystalline materials in fields such as catalysis and energy storage, by predicting properties from structures.…

Graph Neural Networks (GNNs) have been widely employed for feature representation learning in molecular graphs. Therefore, it is crucial to enhance the expressiveness of feature representation to ensure the effectiveness of GNNs. However, a…

Graph learning has emerged as a promising technique for multi-view clustering with its ability to learn a unified and robust graph from multiple views. However, existing graph learning methods mostly focus on the multi-view consistency…

To address the challenges of long-tailed classification, researchers have proposed several approaches to reduce model bias, most of which assume that classes with few samples are weak classes. However, recent studies have shown that tail…

We introduce a neural implicit framework that exploits the differentiable properties of neural networks and the discrete geometry of point-sampled surfaces to approximate them as the level sets of neural implicit functions. To train a…

As object recognition becomes an increasingly common ML task, and recent research demonstrating CNNs vulnerability to attacks and small image perturbations necessitate fully understanding the foundations of object recognition. We focus on…

The importance of studying properties of networks is manifest in diverse fields ranging from biology, engineering, physics, chemistry, neuroscience, and medicine. The functionality of networks with regard to performance, throughput,…

Multi-task learning (MTL) refers to the paradigm of learning multiple related tasks together. In contrast, in single-task learning (STL) each individual task is learned independently. MTL often leads to better trained models because they…

Understanding the curvature evolution of the loss landscape is fundamental to analyzing the training dynamics of neural networks. The most commonly studied measure, Hessian sharpness ($\lambda_{\max}^H$) -- the largest eigenvalue of the…

Graph neural networks, trained on experimental or calculated data are becoming an increasingly important tool in computational materials science. Networks, once trained, are able to make highly accurate predictions at a fraction of the cost…

A key feature of neural network architectures is their ability to support the simultaneous interaction among large numbers of units in the learning and processing of representations. However, how the richness of such interactions trades off…

Graph convolutional networks are a new promising learning approach to deal with data on irregular domains. They are predestined to overcome certain limitations of conventional grid-based architectures and will enable efficient handling of…

A number of network structural characteristics have recently been the subject of particularly intense research, including degree distributions, community structure, and various measures of vertex centrality, to mention only a few. Vertices…

There has been a recent surge of interest in using machine learning to approximate density functional theory (DFT) in materials science. However, many of the most performant models are evaluated on large databases of computed properties of,…

Curvature influences generalization, robustness, and how reliably neural networks respond to small input perturbations. Existing sharpness metrics are typically defined in parameter space (e.g., Hessian eigenvalues) and can be expensive,…