Search results for "composition"

A black-box, general purpose quadratic self-consistent field code with and without Cholesky Decomposition of the two-electron integrals

2021

We present the implementation of a quadratically convergent self-consistent field (QCSCF) algorithm based on an adaptive trust-radius optimisation scheme for restricted open-shell Hartree���Fock (ROHF), restricted Hartree���Fock (RHF), and unrestricted Hartree���Fock (UHF) references. The algorithm can exploit Cholesky decomposition (CD) of the two-electron integrals to allow calculations on larger systems. The most important feature of the QCSCF code lies in its black-box nature ��� probably the most important quality desired by a generic user. As shown for pilot applications, it does not require one to tune the self-consistent field (SCF) parameters (damping, Pulay's DIIS, and other simil…

Multi-word Lexical Units Recognition in WordNet

2022

WordNet is a state-of-the-art lexical resource used in many tasks in Natural Language Processing, also in multi-word expression (MWE) recognition. However, not all MWEs recorded in WordNet could be indisputably called lexicalised. Some of them are semantically compositional and show no signs of idiosyncrasy. This state of affairs affects all evaluation measures that use the list of all WordNet MWEs as a gold standard. We propose a method of distinguishing between lexicalised and non-lexicalised word combinations in WordNet, taking into account lexicality features, such as semantic compositionality, MWE length and translational criterion. Both a rule-based approach and a ridge logistic regre…

Lebesgue-type decomposition for sesquilinear forms via differences

2022

Definitions of regularity and singularity are proposed for sesquilinear forms with respect to a non-negative one and a correspondent Lebesgue-type decomposition is proved. In contrast to other Lebesgue-type decompositions established in the literature for sesquilinear forms with generic sign, the underlying idea in this paper is to write symmetric forms as the difference of non-negative sesquilinear forms.

Image inpainting using directional wavelet packets originating from polynomial splines

2020

The paper presents a new algorithm for the image inpainting problem. The algorithm is using a recently designed versatile library of quasi-analytic complex-valued wavelet packets (qWPs) which originate from polynomial splines of arbitrary orders. Tensor products of 1D qWPs provide a diversity of 2D qWPs oriented in multiple directions. For example, a set of the fourth-level qWPs comprises 62 different directions. The properties of the presented qWPs such as refined frequency resolution, directionality of waveforms with unlimited number of orientations, (anti-)symmetry of waveforms and windowed oscillating structure of waveforms with a variety of frequencies, make them efficient in image pro…

Impact of Different Washing Conditions on the Release of Ag Species from Textiles

2016

The paper investigates the Ag release from textiles (socks available in shops, cotton and viscose filled with Ag nanoparticles–AgNPs) into a washing solution under different conditions. The released Ag amount depended on various factors, such as test media (chemical composition, temperature and water volume), metal contents, and textile impregnation conditions. Furthermore, it turned out that the textile type and colour were the main parameters affecting the Ag release. The Ag concentration in the washing solution ranged between 0.015 μg/l and 4.44 μg/l (socks) and between 0.61 μg/l and 103 μg/l (AgNPs–filled cotton). The total Ag percentage released into water during one washing varied con…

Space-by-Time Modular Decomposition Effectively Describes Whole-Body Muscle Activity During Upright Reaching in Various Directions

2017

The modular control hypothesis suggests that motor commands are built from precoded modules whose specific combined recruitment can allow the performance of virtually any motor task. Despite considerable experimental support, this hypothesis remains tentative as classical findings of reduced dimensionality in muscle activity may also result from other constraints (biomechanical couplings, data averaging or low dimensionality of motor tasks). Here we assessed the effectiveness of modularity in describing muscle activity in a comprehensive experiment comprising 72 distinct point-to-point whole-body movements during which the activity of 30 muscles was recorded. To identify invariant modules o…

Selected physico-chemical parameters of forest soils of Smolnik partial reserve

2003

Measuring the Task Induced Oscillatory Brain Activity Using Tensor Decomposition

2019

The characterization of dynamic electrophysiological brain activity, which form and dissolve in order to support ongoing cognitive function, is one of the most important goals in neuroscience. Here, we introduce a method with tensor decomposition for measuring the task-induced oscillations in the human brain using electroencephalography (EEG). The time frequency representation of source-reconstructed singletrail EEG data constructed a third-order tensor with three factors of time ∗ trails, frequency and source points. We then used a non-negative Canonical Polyadic decomposition (NCPD) to identify the temporal, spectral and spatial changes in electrophysiological brain activity. We validate …

A Proposal of Process Fragment Definition and Documentation

2012

This paper focuses on the field of Situational Method Engineering (SME) for the construction of agent-oriented design processes. Whatever SME approach a method designer wants to use, he has to manage two main elements: the (method or process) fragment and the repository where it is stored. Specific fragment definition and documentation are fundamental during these activities, for new process composition, and for the consequent system design activities. This paper aims at illustrating a proposal of fragment definition and documentation. This proposal is aimed to be an input for the IEEE FIPA Design Process Documentation and Fragmentation working group and, as regards our own research work, t…

Chemical composition of the essential oil of Centaurea grinensis Reuter and Centaurea apiculata Ledeb: Growing wild in Croatia and Bulgaria, respecti…

2016

AbstractIn the present study, the chemical composition of the essential oils from aerial parts of Centaurea grinensis Reuter (K) collected at Žuta Lova, near Senj (Croatia), and aerial parts (L1) and flowers (L2) of C. apiculata Ledeb. collected near Rebro village, near Breznik town, Znepole Region (Bulgaria), both belonging to subgenus Lopholoma (Cass.) Dobrocz, was evaluated by GC and GC-MS. The main components of K were 4-vinyl guaiacol (21.5%), hexadecanoic acid (16.2%), acetophenone (12.5%). Caryophyllene oxide (15.8%) together with sphathulenol (14.5%) and humulene epoxide II (9.4%) were recognized as the main constituent of both the aerial part (L1) and flowers (L2) of C. apiculata. …