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Representing and reasoning about 3D structures of macromolecules is emerging as a distinct challenge in machine learning. Here, we extend recent work on geometric vector perceptrons and apply equivariant graph neural networks to a wide…
Traditional Graph Neural Networks (GNNs) rely on message passing, which amounts to permutation-invariant local aggregation of neighbour features. Such a process is isotropic and there is no notion of `direction' on the graph. We present a…
Many learning problems involve symmetries, and while invariance can be built into neural architectures, it can also emerge implicitly when training on group-structured data. We study this phenomenon in classical Hopfield networks and show…
Diffusion Maps framework is a kernel based method for manifold learning and data analysis that defines diffusion similarities by imposing a Markovian process on the given dataset. Analysis by this process uncovers the intrinsic geometric…
We present a method for estimating intravoxel parameters from a DW-MRI based on deep learning techniques. We show that neural networks (DNNs) have the potential to extract information from diffusion-weighted signals to reconstruct cerebral…
Natural language offers a highly intuitive interface for enabling localized fine-grained edits of 3D shapes. However, prior works face challenges in preserving global coherence while locally modifying the input 3D shape. In this work, we…
Conventional deformable registration methods aim at solving an optimization model carefully designed on image pairs and their computational costs are exceptionally high. In contrast, recent deep learning based approaches can provide fast…
In this paper, we propose a method for denoising diffusion-weighted images (DWI) of the brain using a convolutional neural network trained on realistic, synthetic MR data. We compare our results to averaging of repeated scans, a widespread…
Message passing neural networks iteratively generate node embeddings by aggregating information from neighboring nodes. With increasing depth, information from more distant nodes is included. However, node embeddings may be unable to…
Fiber tractography is an important tool of computational neuroscience that enables reconstructing the spatial connectivity and organization of white matter of the brain. Fiber tractography takes advantage of diffusion Magnetic Resonance…
Recent advances in deep learning from probability distributions successfully achieve classification or regression from distribution samples, thus invariant under permutation of the samples. The first contribution of the paper is to extend…
We propose a surface fitting method for unstructured 3D point clouds. This method, called DeepFit, incorporates a neural network to learn point-wise weights for weighted least squares polynomial surface fitting. The learned weights act as a…
Many material response functions depend strongly on microstructure, such as inhomogeneities in phase or orientation. Homogenization presents the task of predicting the mean response of a sample of the microstructure to external loading for…
We propose a novel framework for training neural networks which is capable of learning 3D information of non-rigid objects when only 2D annotations are available as ground truths. Recently, there have been some approaches that incorporate…
Aerodynamic analysis during aircraft design usually involves methods of varying accuracy and spatial resolution, which all have their advantages and disadvantages. It is therefore desirable to create data-driven models which effectively…
Deep convolutional neural networks are known to be unstable during training at high learning rate unless normalization techniques are employed. Normalizing weights or activations allows the use of higher learning rates, resulting in faster…
Diffusion and flow-based generative models have achieved remarkable success in domains such as image synthesis, video generation, and natural language modeling. In this work, we extend these advances to weight space learning by leveraging…
We propose a novel machine learning strategy for studying neuroanatomical shape variation. Our model works with volumetric binary segmentation images, and requires no pre-processing such as the extraction of surface points or a mesh. The…
The recent years have seen a surge of interest in methods for imaging beyond the direct line of sight. The most prominent techniques rely on time-resolved optical impulse responses, obtained by illuminating a diffuse wall with an ultrashort…
The capability of generalization is a cornerstone for the success of modern learning systems. For non-Euclidean data, e.g., graphs, that particularly involves topological structures, one important aspect neglected by prior studies is how…