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LiDAR-based place recognition serves as a crucial enabler for long-term autonomy in robotics and autonomous driving systems. Yet, prevailing methodologies relying on handcrafted feature extraction face dual challenges: (1) Inconsistent…
Self-supervised learning has emerged as a promising approach for acquiring transferable 3D representations from unlabeled 3D point clouds. Unlike 2D images, which are widely accessible, acquiring 3D assets requires specialized expertise or…
Diffusion generative models have emerged as a powerful framework for addressing problems in structural biology and structure-based drug design. These models operate directly on 3D molecular structures. Due to the unfavorable scaling of…
Transformers have demonstrated remarkable performance in natural language processing and computer vision. However, existing vision Transformers struggle to learn from limited medical data and are unable to generalize on diverse medical…
State-of-the-art 3D models, which excel in recognition tasks, typically depend on large-scale datasets and well-defined category sets. Recent advances in multi-modal pre-training have demonstrated potential in learning 3D representations by…
Molecular property prediction with deep learning has gained much attention over the past years. Owing to the scarcity of labeled molecules, there has been growing interest in self-supervised learning methods that learn generalizable…
3D neural implicit representations play a significant component in many robotic applications. However, reconstructing neural radiance fields (NeRF) from realistic event data remains a challenge due to the sparsities and the lack of…
Generative models aim to learn the distribution of observed data by generating new instances. With the advent of neural networks, deep generative models, including variational autoencoders (VAEs), generative adversarial networks (GANs), and…
Artificial intelligence for scientific discovery has recently generated significant interest within the machine learning and scientific communities, particularly in the domains of chemistry, biology, and material discovery. For these…
The Skinned Multi-Person Linear (SMPL) model can represent a human body by mapping pose and shape parameters to body meshes. This has been shown to facilitate inferring 3D human pose and shape from images via different learning models.…
Understanding how cells respond to external stimuli is a central challenge in biomedical research and drug development. Current computational frameworks for modelling cellular responses remain restricted to two-dimensional representations,…
Real-time rendering and animation of humans is a core function in games, movies, and telepresence applications. Existing methods have a number of drawbacks we aim to address with our work. Triangle meshes have difficulty modeling thin…
Automated diagnosis of Alzheimer Disease(AD) from brain imaging, such as magnetic resonance imaging (MRI), has become increasingly important and has attracted the community to contribute many deep learning methods. However, many of these…
Structure-based drug discovery, encompassing the tasks of protein-ligand docking and pocket-aware 3D drug design, represents a core challenge in drug discovery. However, no existing work can deal with both tasks to effectively leverage the…
Point clouds are a very efficient way to represent volumetric data in medical imaging. First, they do not occupy resources for empty spaces and therefore can avoid trade-offs between resolution and field-of-view for voxel-based 3D…
We evaluate the impact of pretraining Graph Transformer architectures on atom-level quantum-mechanical features for the modeling of absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of drug-like compounds. We…
Machine learning in drug discovery has been focused on virtual screening of molecular libraries using discriminative models. Generative models are an entirely different approach that learn to represent and optimize molecules in a continuous…
Two-dimensional (2D) Nuclear Magnetic Resonance (NMR) spectroscopy, particularly Heteronuclear Single Quantum Coherence (HSQC) spectroscopy, plays a critical role in elucidating molecular structures, interactions, and electronic properties.…
This paper introduces Block Data Representations (BDR), a framework for exploring and evaluating a wide spectrum of narrow-precision formats for deep learning. It enables comparison of popular quantization standards, and through BDR, new…
Our understanding of the world depends highly on our capacity to produce intuitive and simplified representations which can be easily used to solve problems. We reproduce this simplification process using a neural network to build a low…