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One of the most challenging problems in graph machine learning is generalizing across graphs with diverse properties. Graph neural networks (GNNs) face a fundamental limitation: they require separate training for each new graph, preventing…
Physics-informed neural networks (PINNs) have great potential for flexibility and effectiveness in forward modeling and inversion of seismic waves. However, coordinate-based neural networks (NNs) commonly suffer from the "spectral bias"…
Recent advances in machine learning have led to a surge in adoption of neural networks for various tasks, but lack of interpretability remains an issue for many others in which an understanding of the features influencing the prediction is…
Various Graph Neural Networks (GNNs) have been successful in analyzing data in non-Euclidean spaces, however, they have limitations such as oversmoothing, i.e., information becomes excessively averaged as the number of hidden layers…
Accurate probabilistic predictions are essential for optimal decision making. While neural network miscalibration has been studied primarily in classification, we investigate this in the less-explored domain of regression. We conduct the…
This study introduces a novel approach to ensure the existence and uniqueness of optimal parameters in neural networks. The paper details how a recurrent neural networks (RNN) can be transformed into a contraction in a domain where its…
Combining additive models and neural networks allows to broaden the scope of statistical regression and extend deep learning-based approaches by interpretable structured additive predictors at the same time. Existing attempts uniting the…
Modeling and generating graphs is fundamental for studying networks in biology, engineering, and social sciences. However, modeling complex distributions over graphs and then efficiently sampling from these distributions is challenging due…
We present TabPFN, a trained Transformer that can do supervised classification for small tabular datasets in less than a second, needs no hyperparameter tuning and is competitive with state-of-the-art classification methods. TabPFN performs…
In the context of neural network models, overparametrization refers to the phenomena whereby these models appear to generalize well on the unseen data, even though the number of parameters significantly exceeds the sample sizes, and the…
Conventional research attributes the improvements of generalization ability of deep neural networks either to powerful optimizers or the new network design. Different from them, in this paper, we aim to link the generalization ability of a…
Neural kernels have drastically increased performance on diverse and nonstandard data modalities but require significantly more compute, which previously limited their application to smaller datasets. In this work, we address this by…
In this work, we propose a (linearized) Alternating Direction Method-of-Multipliers (ADMM) algorithm for minimizing a convex function subject to a nonconvex constraint. We focus on the special case where such constraint arises from the…
Composite adaptive radial basis function neural network (RBFNN) control with a lattice distribution of hidden nodes has three inherent demerits: 1) the approximation domain of adaptive RBFNNs is difficult to be determined a priori; 2) only…
Many contemporary studies utilize grid-based models for neural field representation, but a systematic analysis of grid-based models is still missing, hindering the improvement of those models. Therefore, this paper introduces a theoretical…
Deep neural networks often produce overconfident predictions, undermining their reliability in safety-critical applications. This miscalibration is further exacerbated under distribution shift, where test data deviates from the training…
Graph neural networks (GNNs) have achieved extraordinary enhancements in various areas including the fields medical imaging and network neuroscience where they displayed a high accuracy in diagnosing challenging neurological disorders such…
Binary neural networks (BNNs) are an attractive solution for developing and deploying deep neural network (DNN)-based applications in resource constrained devices. Despite their success, BNNs still suffer from a fixed and limited…
Federated learning is an emerging distributed machine learning framework aiming at protecting data privacy. Data heterogeneity is one of the core challenges in federated learning, which could severely degrade the convergence rate and…
As the data size in Machine Learning fields grows exponentially, it is inevitable to accelerate the computation by utilizing the ever-growing large number of available cores provided by high-performance computing hardware. However, existing…