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We propose a minimal solution for the similarity registration (rigid pose and scale) between two sets of 3D lines, and also between a set of co-planar points and a set of 3D lines. The first problem is solved up to 8 discrete solutions with…
We report the performance of our newly introduced Ensemble Docking with Enhanced sampling of pocket Shape (EDES) protocol coupled to a template-based algorithm to generate near-native ligand conformations in the 2019 iteration of the Grand…
Mixture proportion estimation (MPE) is the problem of estimating the weight of a component distribution in a mixture, given samples from the mixture and component. This problem constitutes a key part in many "weakly supervised learning"…
The 3D mesh is an important representation of geometric data. In the generation of mesh data, geometric deficiencies (e.g., duplicate elements, degenerate faces, isolated vertices, self-intersection, and inner faces) are unavoidable and may…
The graph edit distance (GED) is a flexible distance measure which is widely used for inexact graph matching. Since its exact computation is NP-hard, heuristics are used in practice. A popular approach is to obtain upper bounds for GED via…
Differentiable rendering aims to compute the derivative of the image rendering function with respect to the rendering parameters. This paper presents a novel algorithm for 6-DoF pose estimation through gradient-based optimization using a…
Monocular 6D pose estimation is a fundamental task in computer vision. Existing works often adopt a two-stage pipeline by establishing correspondences and utilizing a RANSAC algorithm to calculate 6 degrees-of-freedom (6DoF) pose. Recent…
In this paper, we present an efficient adaptive multigrid strategy for the geometry optimization of large-scale three dimensional molecular mechanics. The resulting method can achieve significantly reduced complexity by exploiting the…
Edge computing-based 3D perception has received attention in intelligent transportation systems (ITS) because real-time monitoring of traffic candidates potentially strengthens Vehicle-to-Everything (V2X) orchestration. Thanks to the…
While proper orthogonal decomposition (POD) is widely used for model reduction, its standard form does not take into account any parametric model structure. Extensions to POD have been proposed to address this, but these either require…
The proliferation of smartphones and other mobile devices provides a unique opportunity to make Advanced Driver Assistance Systems (ADAS) accessible to everyone in the form of an application empowered by low-cost Machine/Deep Learning…
In this paper, we introduce a multiscale framework based on adaptive edge basis functions to solve second-order linear elliptic PDEs with rough coefficients. One of the main results is that we prove the proposed multiscale method achieves…
Outlier Exposure (OE) is among the strongest training-based OOD detectors on standard benchmarks but exhibits scorer-dependent tradeoffs (e.g., strong on MSP, weak on KNN) and requires curated auxiliary data. We show why OE works: its…
Electron tomography is a technique used in both materials science and structural biology to image features well below optical resolution limit. In this work, we present a new algorithm for reconstructing the three-dimensional(3D)…
We consider the problem of editing 3D objects and scenes based on open-ended language instructions. A common approach to this problem is to use a 2D image generator or editor to guide the 3D editing process, obviating the need for 3D data.…
We compare different methods to reconstruct the three-dimensional (3D) CME morphology. The explored methods include geometric localisation, mask fitting, forward modeling, polarisation ratio and local correlation tracking plus…
Knowledge Graph Embedding (KGE) is a common approach for Knowledge Graphs (KGs) in AI tasks. Embedding dimensions depend on application scenarios. Requiring a new dimension means training a new KGE model from scratch, increasing cost and…
This paper proposes a new 3D molecule generation framework, called GOAT, for fast and effective 3D molecule generation based on the flow-matching optimal transport objective. Specifically, we formulate a geometric transport formula for…
Many molecular properties depend on 3D geometry, where non-covalent interactions, stereochemical effects, and medium- to long-range forces are determined by spatial distances and angles that cannot be uniquely captured by a 2D bond graph.…
This paper introduces the Gene Mover's Distance, a measure of similarity between a pair of cells based on their gene expression profiles obtained via single-cell RNA sequencing. The underlying idea of the proposed distance is to interpret…