Related papers: Accelerating 3D Molecule Generation via Jointly Ge…
Trailer generation is a challenging video clipping task that aims to select highlighting shots from long videos like movies and re-organize them in an attractive way. In this study, we propose an inverse partial optimal transport (IPOT)…
In the geometric transportation problem, we are given a collection of points $P$ in $d$-dimensional Euclidean space, and each point is given a supply of $\mu(p)$ units of mass, where $\mu(p)$ could be a positive or a negative integer, and…
Sampling from diffusion probabilistic models (DPMs) can be viewed as a piecewise distribution transformation, which generally requires hundreds or thousands of steps of the inverse diffusion trajectory to get a high-quality image. Recent…
Motivated by the computational difficulties incurred by popular deep learning algorithms for the generative modeling of temporal densities, we propose a cheap alternative which requires minimal hyperparameter tuning and scales favorably to…
Many generative applications, such as synthesis-based 3D molecular design, involve constructing compositional objects with continuous features. Here, we introduce Compositional Generative Flows (CGFlow), a novel framework that extends flow…
Multi-object tracking (MOT) enables mobile robots to perform well-informed motion planning and navigation by localizing surrounding objects in 3D space and time. Existing methods rely on depth sensors (e.g., LiDAR) to detect and track…
Optimal Transport (OT) problem aims to find a transport plan that bridges two distributions while minimizing a given cost function. OT theory has been widely utilized in generative modeling. In the beginning, OT distance has been used as a…
We investigate the use of entropy-regularized optimal transport (EOT) cost in developing generative models to learn implicit distributions. Two generative models are proposed. One uses EOT cost directly in an one-shot optimization problem…
This paper presents a novel paradigm in simulation-based engineering sciences by introducing a new framework called Generative Parametric Design (GPD). The GPD framework enables the generation of new designs along with their corresponding…
Given large amount of real photos for training, Convolutional neural network shows excellent performance on object recognition tasks. However, the process of collecting data is so tedious and the background are also limited which makes it…
Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…
In the recent literature, on the one hand, many 3D multi-object tracking (MOT) works have focused on tracking accuracy and neglected computation speed, commonly by designing rather complex cost functions and feature extractors. On the other…
Generative models of 3D molecular structure play a rapidly growing role in the design and simulation of molecules. Diffusion models currently dominate the space of 3D molecule generation, while autoregressive models have trailed behind. In…
Generative molecular optimization aims to design molecules with properties surpassing those of existing compounds. However, such candidates are rare and expensive to evaluate, yielding sample efficiency essential. Additionally, surrogate…
Shape-based virtual screening is widely employed in ligand-based drug design to search chemical libraries for molecules with similar 3D shapes yet novel 2D chemical structures compared to known ligands. 3D deep generative models have the…
Worldwide geolocalization aims to locate the precise location at the coordinate level of photos taken anywhere on the Earth. It is very challenging due to 1) the difficulty of capturing subtle location-aware visual semantics, and 2) the…
Straight-forward conformation generation models, which generate 3-D structures directly from input molecular graphs, play an important role in various molecular tasks with machine learning, such as 3D-QSAR and virtual screening in drug…
Equivariant diffusion models have achieved impressive performance in 3D molecule generation. These models incorporate Euclidean symmetries of 3D molecules by utilizing an SE(3)-equivariant denoising network. However, specialized equivariant…
High dynamic jump motions are challenging tasks for humanoid robots to achieve environment adaptation and obstacle crossing. The trajectory optimization is a practical method to achieve high-dynamic and explosive jumping. This paper…
Knowing a biomolecule's structure is inherently linked to and a prerequisite for any detailed understanding of its function. Significant effort has gone into developing technologies for structural characterization. These technologies do not…