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Graph neural networks (GNNs) have been shown to be astonishingly capable models for molecular property prediction, particularly as surrogates for expensive density functional theory calculations of relaxed energy for novel material…
Deep learning is emerging as an effective tool in drug discovery, with potential applications in both predictive and generative models. Generative Flow Networks (GFlowNets/GFNs) are a recently introduced method recognized for the ability to…
With the rising demands for robust structural health monitoring procedures for aerospace structures, the scope of intelligent algorithms and learning techniques is expanding. Supervised algorithms have shown promising results in the field…
The reconstruction of 3D microstructures from 2D slices is considered to hold significant value in predicting the spatial structure and physical properties of materials.The dimensional extension from 2D to 3D is viewed as a highly…
Deep generative models provide a systematic way to learn nonlinear data distributions, through a set of latent variables and a nonlinear "generator" function that maps latent points into the input space. The nonlinearity of the generator…
Idempotent Generative Networks (IGNs) are deep generative models that also function as local data manifold projectors, mapping arbitrary inputs back onto the manifold. They are trained to act as identity operators on the data and as…
We present Spline-based Convolutional Neural Networks (SplineCNNs), a variant of deep neural networks for irregular structured and geometric input, e.g., graphs or meshes. Our main contribution is a novel convolution operator based on…
Generating high-resolution, photo-realistic images has been a long-standing goal in machine learning. Recently, Nguyen et al. (2016) showed one interesting way to synthesize novel images by performing gradient ascent in the latent space of…
We study the efficacy and efficiency of deep generative networks for approximating probability distributions. We prove that neural networks can transform a low-dimensional source distribution to a distribution that is arbitrarily close to a…
Graph neural networks (GNNs) face significant challenges with class imbalance, leading to biased inference results. To address this issue in heterogeneous graphs, we propose a novel framework that combines Graph Neural Network (GNN) and…
Generative Adversarial Networks (GANs) are a widely-used tool for generative modeling of complex data. Despite their empirical success, the training of GANs is not fully understood due to the min-max optimization of the generator and…
We provide theoretical convergence guarantees on training Generative Adversarial Networks (GANs) via SGD. We consider learning a target distribution modeled by a 1-layer Generator network with a non-linear activation function $\phi(\cdot)$…
Graphs and networks are a key research tool for a variety of science fields, most notably chemistry, biology, engineering and social sciences. Modeling and generation of graphs with efficient sampling is a key challenge for graphs. In…
Generative neural networks can be used to specify continuous transformations between images via latent-space interpolation. However, certifying that all images captured by the resulting path in the image manifold satisfy a given property…
Generative adversarial networks, which can generate metasurfaces based on a training set of high performance device layouts, have the potential to significantly reduce the computational cost of the metasurface design process. However, basic…
Recently, generative machine-learning models have gained popularity in physics, driven by the goal of improving the efficiency of Markov chain Monte Carlo techniques and of exploring their potential in capturing experimental data…
Generative Adversarial Networks (GANs) have achieved remarkable results in the task of generating realistic natural images. In most successful applications, GAN models share two common aspects: solving a challenging saddle point…
Generative DNNs are a powerful tool for image synthesis, but they are limited by their computational load. On the other hand, given a trained model and a task, e.g. faces generation within a range of characteristics, the output image…
Mechanical product engineering often must comply with manufacturing or geometric constraints related to the shaping process. Mechanical design hence should rely on robust and fast tools to explore complex shapes, typically for design for…
We tackle the challenge of learning a distribution over complex, realistic, indoor scenes. In this paper, we introduce Generative Scene Networks (GSN), which learns to decompose scenes into a collection of many local radiance fields that…