Related papers: Topological Generalization Bounds for Discrete-Tim…
Topologically ordered materials may serve as a platform for new quantum technologies such as fault-tolerant quantum computers. To fulfil this promise, efficient and general methods are needed to discover and classify new topological phases…
In this paper, we study the generalization capabilities of geometric graph neural networks (GNNs). We consider GNNs over a geometric graph constructed from a finite set of randomly sampled points over an embedded manifold with topological…
Graph transformation that predicts graph transition from one mode to another is an important and common problem. Despite much progress in developing advanced graph transformation techniques in recent years, the fundamental assumption…
A topological neural network (TNN), which takes data from a Tychonoff topological space instead of the usual finite dimensional space, is introduced. As a consequence, a distributional neural network (DNN) that takes Borel measures as data…
We present a computational method for empirically characterizing the training loss level-sets of deep neural networks. Our method numerically constructs a path in parameter space that is constrained to a set with a fixed near-zero training…
Neural operators (NOs) employ deep neural networks to learn mappings between infinite-dimensional function spaces. Deep operator network (DeepONet), a popular NO architecture, has demonstrated success in the real-time prediction of complex…
Among many unsolved puzzles in theories of Deep Neural Networks (DNNs), there are three most fundamental challenges that highly demand solutions, namely, expressibility, optimisability, and generalisability. Although there have been…
Deep neural networks (DNNs) have shown great success in many machine learning tasks. Their training is challenging since the loss surface of the network architecture is generally non-convex, or even non-smooth. How and under what…
Conventional DNN training paradigms typically rely on one training set and one validation set, obtained by partitioning an annotated dataset used for training, namely gross training set, in a certain way. The training set is used for…
As shown in recent research, deep neural networks can perfectly fit randomly labeled data, but with very poor accuracy on held out data. This phenomenon indicates that loss functions such as cross-entropy are not a reliable indicator of…
The learnability of different neural architectures can be characterized directly by computable measures of data complexity. In this paper, we reframe the problem of architecture selection as understanding how data determines the most…
We introduce a simultaneous and meshfree topology optimization (TO) framework based on physics-informed Gaussian processes (GPs). Our framework endows all design and state variables via GP priors which have a shared, multi-output mean…
Deep neural networks (DNNs) are the workhorses of deep learning, which constitutes the state of the art in numerous application domains. However, DNN-based decision rules are notoriously prone to poor generalization, i.e., may prove…
The primary objective of learning methods is generalization. Classic uniform generalization bounds, which rely on VC-dimension or Rademacher complexity, fail to explain the significant attribute that over-parameterized models in deep…
Topological data analysis (TDA) is a branch of computational mathematics, bridging algebraic topology and data science, that provides compact, noise-robust representations of complex structures. Deep neural networks (DNNs) learn millions of…
Deep neural networks generalize well on unseen data though the number of parameters often far exceeds the number of training examples. Recently proposed complexity measures have provided insights to understanding the generalizability in…
As deep neural networks are highly expressive, it is important to find solutions with small generalization gap (the difference between the performance on the training data and unseen data). Focusing on the stochastic nature of training, we…
A longstanding problem for Deep Neural Networks (DNNs) is understanding their puzzling ability to generalize well. We approach this problem through the unconventional angle of \textit{cognitive abstraction mechanisms}, drawing inspiration…
Graph Neural Networks (GNN) are currently the most popular approach for learning and prediction on graph-structured data and are deployed in various fields, from social network analysis to drug discovery. However, there is limited…
Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…