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The widespread use of neural networks across different scientific domains often involves constraining them to satisfy certain symmetries, conservation laws, or other domain knowledge. Such constraints are often imposed as soft penalties…
When deploying pre-trained neural network models in real-world applications, model consumers often encounter resource-constraint platforms such as mobile and smart devices. They typically use the pruning technique to reduce the size and…
Neural networks are trained primarily based on their inputs and outputs, without regard for their internal mechanisms. These neglected mechanisms determine properties that are critical for safety, like (i) transparency; (ii) the absence of…
Atomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and length-scales accessible with such…
A typical deep neural network (DNN) has a large number of trainable parameters. Choosing a network with proper capacity is challenging and generally a larger network with excessive capacity is trained. Pruning is an established approach to…
We introduce a pruning algorithm that provably sparsifies the parameters of a trained model in a way that approximately preserves the model's predictive accuracy. Our algorithm uses a small batch of input points to construct a data-informed…
Diffusion-based remote sensing (RS) generative foundation models are cruial for downstream tasks. However, these models rely on large amounts of globally representative data, which often contain redundancy, noise, and class imbalance,…
We introduce and analyze a new technique for model reduction for deep neural networks. While large networks are theoretically capable of learning arbitrarily complex models, overfitting and model redundancy negatively affects the prediction…
Gradient-based iterative optimization methods are the workhorse of modern machine learning. They crucially rely on careful tuning of parameters like learning rate and momentum. However, one typically sets them using heuristic approaches…
Adapting pre-trained neural models to downstream tasks has become the standard practice for obtaining high-quality models. In this work, we propose a novel model adaptation paradigm, adapting by pruning, which prunes neural connections in…
Neural networks have achieved remarkable performance in various application domains. Nevertheless, a large number of weights in pre-trained deep neural networks prohibit them from being deployed on smartphones and embedded systems. It is…
Network-based transfer learning allows the reuse of deep learning features with limited data, but the resulting models can be unnecessarily large. Although network pruning can improve inference efficiency, existing algorithms usually…
Network pruning is a promising avenue for compressing deep neural networks. A typical approach to pruning starts by training a model and then removing redundant parameters while minimizing the impact on what is learned. Alternatively, a…
A recent line of research has shown that gradient-based algorithms with random initialization can converge to the global minima of the training loss for over-parameterized (i.e., sufficiently wide) deep neural networks. However, the…
State-of-the-art deep learning models have a parameter count that reaches into the billions. Training, storing and transferring such models is energy and time consuming, thus costly. A big part of these costs is caused by training the…
Deep neural networks (DNNs) have brought significant advancements in various applications in recent years, such as image recognition, speech recognition, and natural language processing. In particular, Vision Transformers (ViTs) have…
The input of almost every machine learning algorithm targeting the properties of matter at the atomic scale involves a transformation of the list of Cartesian atomic coordinates into a more symmetric representation. Many of the most popular…
Finding parameters in a deep neural network (NN) that fit training data is a nonconvex optimization problem, but a basic first-order optimization method (gradient descent) finds a global optimizer with perfect fit (zero-loss) in many…
Network compression is crucial to making the deep networks to be more efficient, faster, and generalizable to low-end hardware. Current network compression methods have two open problems: first, there lacks a theoretical framework to…
Neural networks are easier to optimise when they have many more weights than are required for modelling the mapping from inputs to outputs. This suggests a two-stage learning procedure that first learns a large net and then prunes away…