Related papers: Adversarial Training for Dynamics Matching in Coar…
We study a new approach to learning energy-based models (EBMs) based on adversarial training (AT). We show that (binary) AT learns a special kind of energy function that models the support of the data distribution, and the learning process…
We present a continual learning approach for generative adversarial networks (GANs), by designing and leveraging parameter-efficient feature map transformations. Our approach is based on learning a set of global and task-specific…
Adversarial learning of probabilistic models has recently emerged as a promising alternative to maximum likelihood. Implicit models such as generative adversarial networks (GAN) often generate better samples compared to explicit models…
Generative Adversarial Networks (GANs) are a popular formulation to train generative models for complex high dimensional data. The standard method for training GANs involves a gradient descent-ascent (GDA) procedure on a minimax…
A tight and consistent link between resolutions is crucial to further expand the impact of multiscale modeling for complex materials. We herein tackle the generation of condensed molecular structures as a refinement -- backmapping -- of a…
Molecular dynamics (MD) is a crucial technique for simulating biological systems, enabling the exploration of their dynamic nature and fostering an understanding of their functions and properties. To address exploration inefficiency,…
We present a data-driven machine-learning approach for modeling space-time socioeconomic dynamics. Through coarse-graining fine-scale observations, our modeling framework simplifies these complex systems to a set of tractable mechanistic…
Adversarial training, a method for learning robust deep networks, is typically assumed to be more expensive than traditional training due to the necessity of constructing adversarial examples via a first-order method like projected gradient…
We introduce a coarse-grained deep neural network model (CG-DNN) for liquid water that utilizes 50 rotational and translational invariant coordinates, and is trained exclusively against energies of ~30,000 bulk water configurations. Our…
Neural networks have changed the way machines interpret the world. At their core, they learn by following gradients, adjusting their parameters step by step until they identify the most discriminant patterns in the data. This process gives…
We provide an approach for learning deep neural net representations of models described via conditional moment restrictions. Conditional moment restrictions are widely used, as they are the language by which social scientists describe the…
This paper presents an approach to improve computational fluid dynamics simulations forecasts of air pollution using deep learning. Our method, which integrates Principal Components Analysis (PCA) and adversarial training, is a way to…
Adversarial training, especially projected gradient descent (PGD), has proven to be a successful approach for improving robustness against adversarial attacks. After adversarial training, gradients of models with respect to their inputs…
Coarse-grained (CG) models facilitate an efficient exploration of complex systems by reducing the unnecessary degrees of freedom of the fine-grained (FG) system while recapitulating major structural correlations. Unlike structural…
Adversarial Training (AT) with Projected Gradient Descent (PGD) is an effective approach for improving the robustness of the deep neural networks. However, PGD AT has been shown to suffer from two main limitations: i) high computational…
Deep learning models have shown impressive performance across a spectrum of computer vision applications including medical diagnosis and autonomous driving. One of the major concerns that these models face is their susceptibility to…
We develop a machine-learning method for coarse-graining condensed-phase molecular systems using anisotropic particles. The method extends currently available high-dimensional neural network potentials by addressing molecular anisotropy. We…
Bottom-up coarse-grained (CG) modeling expands the spatial and temporal scales of molecular simulation by seeking a reduced, thermodynamically consistent representation of an atomistic model. Developments in CG theory have largely focused…
In recent years, deep neural networks have demonstrated outstanding performance in many machine learning tasks. However, researchers have discovered that these state-of-the-art models are vulnerable to adversarial examples: legitimate…
Adversarial training (AT) is among the most effective techniques to improve model robustness by augmenting training data with adversarial examples. However, most existing AT methods adopt a specific attack to craft adversarial examples,…