Related papers: Global Structure Search for Molecules on Surfaces:…
Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…
Segmentation of overlapping convex objects has various applications, for example, in nanoparticles and cell imaging. Often the segmentation method has to rely purely on edges between the background and foreground making the analyzed images…
This paper presents an adaptive sampling algorithm tailored for the optimization of parametrized dynamical systems using projection-based model order reduction. Unlike classical sampling strategies, this framework does not aim for a small…
In this paper, we consider the problem of fast and efficient indexing techniques for sequences evolving in non-Euclidean spaces. This problem has several applications in the areas of human activity analysis, where there is a need to perform…
This article presents original work combining a NURBS-based inverse analysis with both kinematic and constitutive nonlinearities to recover the applied loads and deformations of thin shell structures. The inverse formulation is tackled by…
Temporal receptive fields of models play an important role in action segmentation. Large receptive fields facilitate the long-term relations among video clips while small receptive fields help capture the local details. Existing methods…
One of the primary challenges prohibiting demonstrations of practical quantum advantages for near-term devices amounts to excessive measurement overheads for estimating relevant physical quantities such as ground state energies. However,…
This work is concerned with the micro-architecture of multi-layer material that globally exhibits desired mechanical properties, for instance a negative apparent Poisson ratio. We use inverse homogenization, the level set method, and the…
Navigation in complex 3D scenarios requires appropriate environment representation for efficient scene understanding and trajectory generation. We propose a highly efficient and extensible global navigation framework based on a tomographic…
In this work, we construct a novel numerical method for solving the multi-marginal optimal transport problems with Coulomb cost. This type of optimal transport problems arises in quantum physics and plays an important role in understanding…
Batch planning is increasingly necessary to quickly produce diverse and quality motion plans for downstream learning applications, such as distillation and imitation learning. This paper presents Global Tensor Motion Planning (GTMP) -- a…
To obtain explicit understanding of the behavior of dynamical systems, geometrical methods and slow-fast analysis have proved to be highly useful. Such methods are standard for smooth dynamical systems, and increasingly used for continuous,…
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…
We present a method to find globally optimal topology and trajectory jointly for planar linkages. Planar linkage structures can generate complex end-effector trajectories using only a single rotational actuator, which is very useful in…
SUMMARY Geophysical imaging using the inversion procedure is a powerful tool for the exploration of the Earth's subsurface. However, the interpretation of inverted images can sometimes be difficult, due to the inherent limitations of…
This paper develops a novel mathematical framework for collaborative learning by means of geometrically inspired kernel machines which includes statements on the bounds of generalisation and approximation errors, and sample complexity. For…
The fabrication of nanomaterials involves self-ordering processes of functional molecules on inorganic surfaces. To obtain specific molecular arrangements, a common strategy is to equip molecules with functional groups. However, focusing on…
Retrosynthesis, which aims to identify viable synthetic pathways for target molecules by decomposing them into simpler precursors, is often treated as a search problem. However, its complexity arises from multi-branched tree-structured…
We present a generalized version of the ITIM algorithm for the identification of interfacial molecules, which is able to treat arbitrarily shaped interfaces. The algorithm exploits the similarities between the concept of probe sphere used…
A genetic algorithm is suitable for exploring large search spaces as it finds an approximate solution. Because of this advantage, genetic algorithm is effective in exploring vast and unknown space such as molecular search space. Though the…