Related papers: GeSS: Benchmarking Geometric Deep Learning under S…

Graph Structure Learning (GSL) has recently garnered considerable attention due to its ability to optimize both the parameters of Graph Neural Networks (GNNs) and the computation graph structure simultaneously. Despite the proliferation of…

Recent work of Klivans, Stavropoulos, and Vasilyan initiated the study of testable learning with distribution shift (TDS learning), where a learner is given labeled samples from training distribution $\mathcal{D}$, unlabeled samples from…

Geometric deep learning (GDL) deals with supervised learning on data domains that go beyond Euclidean structure, such as data with graph or manifold structure. Due to the demand that arises from application-related data, there is a need to…

With the extremely rapid advances in remote sensing (RS) technology, a great quantity of Earth observation (EO) data featuring considerable and complicated heterogeneity is readily available nowadays, which renders researchers an…

Geometric deep learning is an emerging technique in Artificial Intelligence (AI) driven cheminformatics, however the unique implications of different Graph Neural Network (GNN) architectures are poorly explored, for this space. This study…

In many modern data sets, High dimension low sample size (HDLSS) data is prevalent in many fields of studies. There has been an increased focus recently on using machine learning and statistical methods to mine valuable information out of…

Structure-based drug design (SBDD) leverages the three-dimensional geometry of proteins to identify potential drug candidates. Traditional approaches, rooted in physicochemical modeling and domain expertise, are often resource-intensive.…

Many scientific fields study data with an underlying structure that is a non-Euclidean space. Some examples include social networks in computational social sciences, sensor networks in communications, functional networks in brain imaging,…

The boom of DL technology leads to massive DL models built and shared, which facilitates the acquisition and reuse of DL models. For a given task, we encounter multiple DL models available with the same functionality, which are considered…

The complex and dynamic real-world clinical environment demands reliable deep learning (DL) systems. Out-of-distribution (OOD) detection plays a critical role in enhancing the reliability and generalizability of DL models when encountering…

Motivation: Despite its great success in various physical modeling, differential geometry (DG) has rarely been devised as a versatile tool for analyzing large, diverse and complex molecular and biomolecular datasets due to the limited…

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains…

Deep graph learning (DGL) has achieved remarkable progress in both business and scientific areas ranging from finance and e-commerce to drug and advanced material discovery. Despite the progress, applying DGL to real-world applications…

The accurate prediction of geometric state evolution in complex systems is critical for advancing scientific domains such as quantum chemistry and material modeling. Traditional experimental and computational methods face challenges in…

Current object detectors often suffer significant perfor-mance degradation in real-world applications when encountering distributional shifts. Consequently, the out-of-distribution (OOD) generalization capability of object detectors has…

Graph Neural Networks (GNNs) have achieved significant success in machine learning, with wide applications in social networks, bioinformatics, knowledge graphs, and other fields. Most research assumes ideal closed-set environments. However,…

Deploying deep learning (DL) on mobile devices has been a notable trend in recent years. To support fast inference of on-device DL, DL libraries play a critical role as algorithms and hardware do. Unfortunately, no prior work ever dives…

Deep learning (DL) relies heavily on data, and the quality of data influences its performance significantly. However, obtaining high-quality, well-annotated datasets can be challenging or even impossible in many real-world applications,…

Strong Lensing is a powerful probe of the matter distribution in galaxies and clusters and a relevant tool for cosmography. Analyses of strong gravitational lenses with Deep Learning have become a popular approach due to these astronomical…

Out-of-distribution (OOD) learning deals with scenarios in which training and test data follow different distributions. Although general OOD problems have been intensively studied in machine learning, graph OOD is only an emerging area of…