Related papers: Application of canonical augmentation to the atomi…
In our implementation of geometric resolution, the most costly operation is subsumption testing (or matching): One has to decide for a three-valued, geometric formula, if this formula is false in a given interpretation. The formula contains…
This paper introduces the multiplicative variant of the recently proposed asynchronous additive coarse-space correction method. Definition of an asynchronous extension of multiplicative correction is not straightforward, however, our…
Substitution resolution supports the computational character of $\beta$-reduction, complementing its execution with a capture-avoiding exchange of terms for bound variables. Alas, the meta-level definition of substitution, masking a…
Canonical Correlation Analysis (CCA) is a widely used spectral technique for finding correlation structures in multi-view datasets. In this paper, we tackle the problem of large scale CCA, where classical algorithms, usually requiring…
Chemical disorder, originating from the mixed occupation of crystallographic sites by multiple elements, is widespread in alloys, ceramics, and compositionally complex materials, where short- and long-range orderings can strongly influence…
We propose the use of parameter-free preentanglers as initial states for quantum algorithms. We apply this idea to the electronic structure problem, combining a quantized version of the Canonical Transformation by Yanai and Chan [J. Chem.…
Finding an optimal match between two different crystal structures underpins many important materials science problems, including describing solid-solid phase transitions, developing models for interface and grain boundary structures. In…
We develop a decomposition method based on the augmented Lagrangian framework to solve a broad family of semidefinite programming problems, possibly with nonlinear objective functions, nonsmooth regularization, and general linear…
An effective quantum number determining with high accuracy the levels ordering in arbitrary centrally symmetric potentials for any space dimensionality is introduced and calculated by means of certain universal methods based on the known…
Atomic-level modeling performed at large scales enables the investigation of mesoscale materials properties with atom-by-atom resolution. The spatial complexity of such cross-scale simulations renders them unsuitable for simple human visual…
We argue that reducing nonlinear programming problems to a simple canonical form is an effective way to analyze them, specially when the problem is degenerate and the usual linear independence hypothesis does not hold. To illustrate this…
Most datasets encountered in computer vision and medical applications present symmetries that should be taken into account in classification tasks. A typical example is the symmetry by rotation and/or scaling in object detection. A common…
In an effort to overcome the limitations of random spin-glass benchmarks for quantum annealers, focus has shifted to carefully-crafted gadget-based problems whose logical structure has typically a planar topology. Recent experiments on…
A standard quadratic program is an optimization problem that consists of minimizing a (nonconvex) quadratic form over the unit simplex. We focus on reformulating a standard quadratic program as a mixed integer linear programming problem. We…
An enumeration kernel as defined by Creignou et al. [Theory Comput. Syst. 2017] for a parameterized enumeration problem consists of an algorithm that transforms each instance into one whose size is bounded by the parameter plus a…
This paper explores the use of text data augmentation techniques to enhance conflict and duplicate detection in software engineering tasks through sentence pair classification. The study adapts generic augmentation techniques such as…
We address the slow convergence and poor stability of quasi-newton sequential quadratic programming (SQP) methods that is observed when solving experimental design problems, in particular when they are large. Our findings suggest that this…
In the work are defined the concepts semi-canonical and canonical binary matrix. What is described is an algorithm solving the combinatorial problem for finding the semi-canonical matrices in the set \Lambda_n^k consisting of all n\times n…
We previously developed an algorithm, called resolution exchange, which improves canonical sampling of atomic resolution models by swapping conformations between high- and low-resolution simulations[1]. Here, we demonstrate a generally…
We consider the problem of sparse coding, where each sample consists of a sparse linear combination of a set of dictionary atoms, and the task is to learn both the dictionary elements and the mixing coefficients. Alternating minimization is…