Related papers: Maximum volume simplex method for automatic select…
Atomic environment fingerprints are widely used in computational materials science, from machine learning potentials to the quantification of similarities between atomic configurations. Many approaches to the construction of such…
Measuring similarities/dissimilarities between atomic structures is important for the exploration of potential energy landscapes. However, the cell vectors together with the coordinates of the atoms, which are generally used to describe…
Fingerprints are the most widely deployed form of biometric identification. No two individuals share the same fingerprint because they have unique biometric identifiers. This paper presents an efficient fingerprint verification algorithm…
Molecular fingerprints, i.e. feature vectors describing atomistic neighborhood configurations, is an important abstraction and a key ingredient for data-driven modeling of potential energy surface and interatomic force. In this paper, we…
In order to characterize molecular structures we introduce configurational fingerprint vectors which are counterparts of quantities used experimentally to identify structures. The Euclidean distance between the configurational fingerprint…
We present a permutation-invariant distance between atomic configurations, defined through a functional representation of atomic positions. This distance enables to directly compare different atomic environments with an arbitrary number of…
Fingerprinting enables two parties to infer whether the messages they hold are the same or different when the cost of communication is high: each message is associated with a smaller fingerprint and comparisons between messages are made in…
Available algorithms for the initialization of volume fractions typically utilize exact functions to model fluid interfaces, or they rely on computationally costly intersections between volume meshes. Here, a new algorithm is proposed that…
This paper considers the problem of finding maximum volume (axis-aligned) inscribed boxes in a compact convex set, defined by a finite number of convex inequalities, and presents optimization and geometric approaches for solving them.…
Structural optimization has been a crucial component in computational materials research, and structure predictions have relied heavily on this technique in particular. In this study, we introduce a novel method that enhances the efficiency…
Although shape correspondence is a central problem in geometry processing, most methods for this task apply only to two-dimensional surfaces. The neglected task of volumetric correspondence--a natural extension relevant to shapes extracted…
We experimentally study the fundamental problem of computing the volume of a convex polytope given as an intersection of linear inequalities. We implement and evaluate practical randomized algorithms for accurately approximating the…
We investigate the problem of computing a minimal-volume container for the non-overlapping packing of a given set of three-dimensional convex objects. Already the simplest versions of the problem are NP-hard so that we cannot expect to find…
In applications throughout science and engineering one is often faced with the challenge of solving an ill-posed inverse problem, where the number of available measurements is smaller than the dimension of the model to be estimated. However…
Machine learning of atomic-scale properties is revolutionizing molecular modelling, making it possible to evaluate inter-atomic potentials with first-principles accuracy, at a fraction of the costs. The accuracy, speed and reliability of…
A novel minutia-based fingerprint matching algorithm is proposed that employs iterative global alignment on two minutia sets. The matcher considers all possible minutia pairings and iteratively aligns the two sets until the number of…
The problem of clustering fingerprint vectors is an interesting problem in Computational Biology that has been proposed in (Figureroa et al. 2004). In this paper we show some improvements in closing the gaps between the known lower bounds…
In order to utilize identification to the best extent, we need robust and fast algorithms and systems to process the data. Having palmprint as a reliable and unique characteristic of every person, we extract and use its features based on…
This work combined different audio features to obtain a more robust fingerprint to be used in a music recommendation process. The combination of these methods resulted in a high-dimensional vector. To reduce the number of values, PCA was…
In this paper, we propose two methods of calculating theoretically maximal metamer mismatch volumes. Unlike prior art techniques, our methods do not make any assumptions on the shape of spectra on the boundary of the mismatch volumes. Both…