Exact Terms Research Articles

Kohn–Sham equations with functionals from the strictly-correlated regime: investigation with a spectral renormalization method

We re-adapt a spectral renormalization method, introduced in nonlinear optics, to solve the Kohn–Sham (KS) equations of density functional theory, with a focus on functionals based on the strictly-correlated electrons (SCE) regime, which are particularly challenging to converge. Important aspects of the method are: (i) the eigenvalues and the density are computed simultaneously; (ii) it converges using randomized initial guesses; (iii) easy to implement. Using this method we could converge for the first time the Kohn–Sham equations with functionals that include the next leading term in the strong-interaction limit of density functional theory, the so called zero-point energy (ZPE) functional as well as with an interaction-strength-interpolation functional that includes both the exact SCE and ZPE terms. This work is the first building block for future studies on quantum systems confined in low dimensions with different statistics and long-range repulsions, such as localization properties of fermions and bosons with strong long-range repulsive interactions in the presence of a random external potential.

Guest Editorial—“Green Open Access is ‘Just’ Publishing”

A shared experience among many graduate students is the dawning realization that the vaunted privilege of having one's scholarly work accepted for publication is also a fleecing. The exact terms of this fleecing depend on a number of different factors – so many, in fact, that it can get a bit confusing – but it's quite common for researchers to pay several thousand dollars to make their work available for others to read. And these are not the expenses incurred to complete their scholarly work. It's merely the cost of having one's work posted on the website of an academic publisher!

Right atrial appendage aneurysm in a fetus-Does precise prenatal diagnosis matter?

Congenital malformations of the right atrium-aneurysms and diverticula-are rare heart defects with only a few cases having been described prenatally. Early diagnosis of these anomalies is extremely important due to the possibility of such serious complications such as supraventricular arrhythmia, thromboembolic events and sudden death. Although each of these anomalies is well known, there are still significant discrepancies in diagnosis. At the same time, there is no essential difference in the postnatal management of patients with right atrial aneurysms or diverticula. Treatment mode varies between centers and is selected individually depending on the presence of symptoms. We discuss the problems of terminology, ultrasound criteria and prenatal differential diagnosis, anatomic and histological features and current limitations for the accurate diagnosis of right atrial aneurysms and diverticula in utero. As a clinical example, we describe a case of right atrial appendage aneurysm diagnosed in a fetus. Considering the prenatal diagnostic difficulties and similar management of such patients after birth, we suggest avoiding the use of exact terms in the fetus, leaving the precise diagnosis for the postnatal period.

A substrate-based ontology for human solute carriers.

Solute carriers (SLCs) are the largest family of transmembrane transporters in the human genome with more than 400 members. Despite the fact that SLCs mediate critical biological functions and several are important pharmacological targets, a large proportion of them is poorly characterized and present no assigned substrate. A major limitation to systems‐level de‐orphanization campaigns is the absence of a structured, language‐controlled chemical annotation. Here we describe a thorough manual annotation of SLCs based on literature. The annotation of substrates, transport mechanism, coupled ions, and subcellular localization for 446 human SLCs confirmed that ~30% of these were still functionally orphan and lacked known substrates. Application of a substrate‐based ontology to transcriptomic datasets identified SLC‐specific responses to external perturbations, while a machine‐learning approach based on the annotation allowed us to identify potential substrates for several orphan SLCs. The annotation is available at https://opendata.cemm.at/gsflab/slcontology/. Given the increasing availability of large biological datasets and the growing interest in transporters, we expect that the effort presented here will be critical to provide novel insights into the functions of SLCs.

A Pseudo-relevance feedback framework combining relevance matching and semantic matching for information retrieval

Pseudo-relevance feedback (PRF) is a well-known method for addressing the mismatch between query intention and query representation. Most current PRF methods consider relevance matching only from the perspective of terms used to sort feedback documents, thus possibly leading to a semantic gap between query representation and document representation. In this work, a PRF framework that combines relevance matching and semantic matching is proposed to improve the quality of feedback documents. Specifically, in the first round of retrieval, we propose a reranking mechanism in which the information of the exact terms and the semantic similarity between the query and document representations are calculated by bidirectional encoder representations from transformers (BERT); this mechanism reduces the text semantic gap by using the semantic information and improves the quality of feedback documents. Then, our proposed PRF framework is constructed to process the results of the first round of retrieval by using probability-based PRF methods and language-model-based PRF methods. Finally, we conduct extensive experiments on four Text Retrieval Conference (TREC) datasets. The results show that the proposed models outperform the robust baseline models in terms of the mean average precision (MAP) and precision P at position 10 (P@10), and the results also highlight that using the combined relevance matching and semantic matching method is more effective than using relevance matching or semantic matching alone in terms of improving the quality of feedback documents.

A step in the direction of resolving the paradox of Perdew-Zunger self-interaction correction. II. Gauge consistency of the energy density at three levels of approximation.

The Perdew-Zunger (PZ) self-interaction correction (SIC) was designed to correct the one-electron limit of any approximate density functional for the exchange-correlation (xc) energy, while yielding no correction to the exact functional. Unfortunately, it spoils the slowly varying (in space) limits of the uncorrected approximate functionals, where those functionals are right by construction. The right limits can be restored by locally scaling down the energy density of the PZ SIC in many-electron regions, but then a spurious correction to the exact functional would be found unless the self-Hartree and exact self-xc terms of the PZ SIC energy density were expressed in the same gauge. Only the local density approximation satisfies the same-gauge condition for the energy density, which explains why the recent local-scaling SIC is found here to work excellently for atoms and molecules only with this basic approximation and not with the more advanced generalized gradient approximations (GGAs) and meta-GGAs, which lose the Hartree gauge via simplifying integrations by parts. The transformation of energy density that achieves the Hartree gauge for the exact xc functional can also be applied to approximate functionals. Doing so leads to a simple scaled-down self-interaction correction that is typically much more accurate than PZ SIC in tests for many molecular properties (including equilibrium bond lengths). The present work unambiguously shows that the largest errors of PZ SIC applied to standard functionals at three levels of approximation can be removed by restoring their correct slowly varying density limits. It also confirms the relevance of these limits to atoms and molecules.

Second-Order Term of Cover Time for Planar Simple Random Walk

We consider the cover time for a simple random walk on the two-dimensional discrete torus of side length n. Dembo et al. (Ann Math 160:433–464, 2004) identified the leading term in the asymptotics for the cover time as n goes to infinity. In this paper, we study the exact second order term. This is a discrete analogue of the work on the cover time for planar Brownian motion by Belius and Kistler (Probab Theory Relat Fields 167:461–552, 2017).

Experimental Realization of Shortcuts to Adiabaticity in a Nonintegrable Spin Chain by Local Counterdiabatic Driving

Counterdiabatic driving (CD) offers a fast and robust strategy to manipulate and prepare the quantum state in multibody systems. However, the exact CD term involving the spectral properties of the system is difficult to calculate and generally takes a complicated form for higher-dimensional complex systems. Recently, Sels and Polkovnikov [Proc. Natl. Acad. Sci. U. S. A. 114, E3909 (2017)] proposed a variational method to optimally approximate the CD term with no need for the full spectral information of the original Hamiltonian. Using a nuclear-magnetic-resonance setup, here we report an experimental demonstration of this method to construct available shortcuts to adiabaticity in a nonintegrable spin-$1/2$ chain via only local controls. In this process, the ground state of such a system is rapidly prepared and the final state fidelity is significantly increased compared with the traditional adiabatic method. Our experiments prove the feasibility of this variational method to design CD in practice, and thus it is a promising strategy for fast, high-fidelity quantum-state manipulation in complex and noisy quantum systems.

First-principles study on material properties and stability of inorganic halide perovskite solid solutions CsPb(I1−xBrx)3

All-inorganic halide perovskites have attracted a great interest as a promising light harvester of perovskite solar cells due to their enhanced chemical stability. In this work we investigate the material properties of solid solutions $\mathrm{CsPb}{({\mathrm{I}}_{1\ensuremath{-}x}{\mathrm{Br}}_{x})}_{3}$ in cubic phase by applying the virtual crystal approximation approach within a density functional theory framework. First we check the validity of constructed pseudopotentials of the virtual atoms ($\text{X}={\text{I}}_{1\ensuremath{-}x}{\text{Br}}_{x}$) by verifying that the lattice constants follow the linear function of mixing ratio. We then suggest an idea of using the hybrid HSE functional with linear increasing value of exact exchange term as increasing the Br content $x$, which produces the band gaps of $\mathrm{C}\mathrm{s}{\mathrm{PbX}}_{3}$ in good agreement with the available experimental data. The calculated light absorption coefficients and reflectivity show the systematic varying tendency to the Br content. We calculate the phonon dispersions of $\mathrm{C}\mathrm{s}{\mathrm{PbX}}_{3}$, CsX, and ${\mathrm{PbX}}_{2}$ as slightly changing their volumes, revealing the phase instability of $\mathrm{C}\mathrm{s}{\mathrm{PbX}}_{3}$ and calculating the thermodynamic potential function differences. By projecting Gibbs free energy differences onto the plane of $\mathrm{\ensuremath{\Delta}}G=0$, we determine the $P\ensuremath{-}T$ diagram for $\mathrm{C}\mathrm{s}{\mathrm{PbX}}_{3}$ to be stable against the chemical decomposition, highlighting that the area of being stable extends gradually as the Br content increases.

First implementation of gyrokinetic exact linearized Landau collision operator and comparison with models

Gyrokinetic simulations are fundamental to understanding and predicting turbulent transport in magnetically confined fusion plasmas. Previous simulations have used model collision operators with approximate field-particle terms of unknown accuracy and/or have neglected collisional finite Larmor radius (FLR) effects. We have implemented the linearized Fokker–Planck collision operator with exact field-particle terms and full FLR effects in a gyrokinetic code (GENE). The new operator, referred to as “exact” in this paper, allows the accuracy of model collision operators to be assessed. The conservative Landau form is implemented because its symmetry underlies the conservation laws and the H-theorem, and enables numerical methods to preserve this conservation, independent of resolution. The implementation utilizes the finite-volume method recently employed to discretize the Sugama collision model in GENE, allowing direct comparison between the two operators. Results show that the Sugama model appears accurate for the growth rates of trapped electron modes (TEMs) driven only by density gradients, but appreciably underestimates the growth rates as the collisionality and electron temperature gradient increase. The TEM turbulent fluxes near the nonlinear threshold using the exact operator are similar to the Sugama model for the ηe=d ln Te/d ln ne=0 case, but substantially larger than the Sugama model for the ηe=1 case. The FLR effects reduce the growth rates increasingly with wavenumber, deepening a “valley” at the intermediate binormal wavenumber as the unstable mode extends from the TEM regime to the electron temperature gradient instability regime. Application to the Hinton–Rosenbluth problem shows that zonal flows decay faster as the radial wavenumber increases and the exact operator yields weaker decay rates.

Introduction of the axial force terms to governing equation for buried pipeline subjected to strike-slip fault movements

In past studies, several simplification assumptions exist in analytical methodologies and the axial force effect is calculated through external formulations and applied as a constant value to parts of the partitioned governing equations. However, applicability range of them is limited and can lead to significant errors with increasing solution complexity. In this study, we establish an improved governing equation to analyze buried pipeline as a linear material subjected to active strike-slip faults. This approach includes geometrical nonlinearity effects and exact axial force terms of the pipeline inside governing equation, and requires no additional external calculations, which significantly increases application range and accuracy even in the case of large deformation. The proposed methodology is verified against finite element-based results with various faulting angles and displacement ranges. Results of the analytical methods are in good agreement with numerical results in both qualitative and quantitative aspects even for cases with large fault movements.

Assessment of resources of road machines working in the conditions of tropical climate

In this article results of researches are considered, formulas full gamma percent resource T f.γ and a gamma percent resource before the first major repair ofT r.γ (is developed for definition at γ=80%) road-building machines, according to technical condition and operating conditions of the machine in the tropical climate of Vietnam. The corresponding values of resources of road-building machines in Vietnam were at the same time defined that formed a basis for exact planning terms of carrying out construction works, to make the reasonable diagram of maintenance and repair of machines for each climatic zone of Vietnam.

Pharmacological Applications of Phlorotannins: A Comprehensive Review.

Seaweeds, including marine brown algae, are traditional food sources in Asia. Phlorotannins, as the product of the polyketide pathway, are mainly found in brown algae. Different properties have been attributed to this group of marine products ranging from antiallergic to anticancer activity. Mechanism of action is not obvious for all these properties, but there are some explanations for such effects. The current study aimed to review the phlorotannins and to assess the beneficial uses in medicine. Different databases were explored with the exact terms "Phlorotannin", "Seaweed" and "Brown Algae". Data assembly was finalized by June 2019. The papers showing the effects of phlorotannins in medicine were gathered and evaluated for further assessment. General physiological aspects of phlorotannins were firstly evaluated. Different arrays of pharmacological properties ranging from anti-diabetic activity to cancer treatment were found. The mechanism of action for some of these beneficiary properties has been confirmed through rigorous examinations, but there are some features with unknown mechanisms. Phlorotannins are characterized as a multifunctional group of natural products. Potential antioxidant characteristics could be attributed to preventive and/or their curative role in various diseases.

Indissoluble Alterity: Masked Encounters/Encountering Masks

Indissoluble AlterityMasked Encounters/Encountering Masks Nathan Doherty (bio) “A horror story, the face is a horror story.” Deleuze and Guattari, A Thousand Plateaus “There’s no jungle in my mind I can’t escape from.” Halloween Trés, Code Red Mixes, May 2016, “WWW” Not quite philosophy, criticism, or journalism proper, this article becomes a sort of speculative wandering through a montage of textual, visual, and auditory ecologies. Think of this as a kind of Deleuzean journalism, sketches of encounters that continue to develop and change as the unfoldings report.1 As such, what this article becomes, if successful, is an immersive consideration of how to use academic frameworks—the genre of the essay-geared-to-be-article, for example—to participate in the life of a specific creative community of musicians and performers in Baltimore, Maryland, using the resources at one’s disposal. The co-participants enabling the encounters featured here are multiple and proliferating: Baltimore as a place of love and agonism; the soundscapes and performances of Halloween Trés; the writings of Gilles Deleuze and Felix Guattari; the academic community of Johns Hopkins University; and the world of academic publishing for starters. A three-person band whose star is in the ascendant in the small but dynamic local music scene, Halloween Trés operate on a number of shifting and conflicting planes all at once. Thinking these agonisms in Deleuzean terms gives this article the impetus and certain rhetorical formulations to be able to articulate aspects of Halloween Trés’s music and performance. Furthermore, thinking Deleuzean intensities [End Page 30] in Halloween Trés terms offers some of the tools necessary to parse what Deleuze could mean regarding the concepts of intensity, encounters, and the violence of thought. Click for larger view View full resolution Figure 1. Facial Recognition. Collage by Nathan Doherty. Original painting by Lorenzo Baeza. A personally validating moment came in response to an earlier draft of this article from a Halloween Trés band member, Lucas Rambo. After reading what I’d then put together, he was floored by my descriptions of their performances: “we just do this shit, you actually tried to articulate it.” But I think of it in almost the exact opposite terms, I’m just trying to affectively understand the heavy lifting their performances seem to be doing. In some regards this is the entire point of the following performance of Deleuzean journalism, an attempt to participate in, and to understand, the shifting dynamics of a lively artistic community both in terms of its emergent affective [End Page 31] registers and through the repertoire of concepts provided by a Deleuzean lexicon. The encounters I am interested in mapping here harbor a degree of intensity and contagion that open one to potent forces beyond one’s ken or ability to completely quantify, domains of what in Difference and Repetition Deleuze refers to as those of “wonder, love, hatred, suffering” (139). I posit this rhetorical agonism at the beginning of this project—especially important when considering Halloween Trés performances—to forestall the critique that neither all thought nor all encounters come about or emerge through fear and trembling, and certainly never only through terror/horror, which, at least in the moment of experiencing, often violently close down anything resembling thoughtfulness. The key to navigating such encounters together with their accompanying degrees of intensity, I will argue, is comportment and learning new ways of dwelling with the everyday unfolding of events that are always difficult to process or understand.2 In this way no affective event is without some emergent form of agonism, whether or not it be consciously divined. Love becomes contagion, and contagion can, perhaps, become something like love. RE-BEGINNING: FROM THOUGHTFUL TO ARTFUL TERROR(S) What is an encounter? On certain pragmatic levels, in part because of the limitations of the traditionally conceived human capacity to engage affectively with multiple sites of interaction to any sustained degree, it is difficult to provide a cogent description of the many disparate factors that constitute an encounter. What one often does interact with, or at least register to some degree, are heterogeneous entities that might at first...

Indissoluble Alterity: Masked Encounters/Encountering Masks

Indissoluble AlterityMasked Encounters/Encountering Masks Nathan Doherty (bio) “A horror story, the face is a horror story.” Deleuze and Guattari, A Thousand Plateaus “There’s no jungle in my mind I can’t escape from.” Halloween Trés, Code Red Mixes, May 2016, “WWW” Not quite philosophy, criticism, or journalism proper, this article becomes a sort of speculative wandering through a montage of textual, visual, and auditory ecologies. Think of this as a kind of Deleuzean journalism, sketches of encounters that continue to develop and change as the unfoldings report.1 As such, what this article becomes, if successful, is an immersive consideration of how to use academic frameworks—the genre of the essay-geared-to-be-article, for example—to participate in the life of a specific creative community of musicians and performers in Baltimore, Maryland, using the resources at one’s disposal. The co-participants enabling the encounters featured here are multiple and proliferating: Baltimore as a place of love and agonism; the soundscapes and performances of Halloween Trés; the writings of Gilles Deleuze and Felix Guattari; the academic community of Johns Hopkins University; and the world of academic publishing for starters. A three-person band whose star is in the ascendant in the small but dynamic local music scene, Halloween Trés operate on a number of shifting and conflicting planes all at once. Thinking these agonisms in Deleuzean terms gives this article the impetus and certain rhetorical formulations to be able to articulate aspects of Halloween Trés’s music and performance. Furthermore, thinking Deleuzean intensities [End Page 30] in Halloween Trés terms offers some of the tools necessary to parse what Deleuze could mean regarding the concepts of intensity, encounters, and the violence of thought. Click for larger view View full resolution Figure 1. Facial Recognition. Collage by Nathan Doherty. Original painting by Lorenzo Baeza. A personally validating moment came in response to an earlier draft of this article from a Halloween Trés band member, Lucas Rambo. After reading what I’d then put together, he was floored by my descriptions of their performances: “we just do this shit, you actually tried to articulate it.” But I think of it in almost the exact opposite terms, I’m just trying to affectively understand the heavy lifting their performances seem to be doing. In some regards this is the entire point of the following performance of Deleuzean journalism, an attempt to participate in, and to understand, the shifting dynamics of a lively artistic community both in terms of its emergent affective [End Page 31] registers and through the repertoire of concepts provided by a Deleuzean lexicon. The encounters I am interested in mapping here harbor a degree of intensity and contagion that open one to potent forces beyond one’s ken or ability to completely quantify, domains of what in Difference and Repetition Deleuze refers to as those of “wonder, love, hatred, suffering” (139). I posit this rhetorical agonism at the beginning of this project—especially important when considering Halloween Trés performances—to forestall the critique that neither all thought nor all encounters come about or emerge through fear and trembling, and certainly never only through terror/horror, which, at least in the moment of experiencing, often violently close down anything resembling thoughtfulness. The key to navigating such encounters together with their accompanying degrees of intensity, I will argue, is comportment and learning new ways of dwelling with the everyday unfolding of events that are always difficult to process or understand.2 In this way no affective event is without some emergent form of agonism, whether or not it be consciously divined. Love becomes contagion, and contagion can, perhaps, become something like love. RE-BEGINNING: FROM THOUGHTFUL TO ARTFUL TERROR(S) What is an encounter? On certain pragmatic levels, in part because of the limitations of the traditionally conceived human capacity to engage affectively with multiple sites of interaction to any sustained degree, it is difficult to provide a cogent description of the many disparate factors that constitute an encounter. What one often does interact with, or at least register to some degree, are heterogeneous entities that might at first...

Improved Hardy inequalities with exact remainder terms

Improved Hardy inequalities with exact remainder terms

From boundary data to bound states

We introduce a — somewhat holographic — dictionary between gravitational observables for scattering processes (measured at the boundary) and adiabatic invariants for bound orbits (in the bulk), to all orders in the Post-Minkowskian (PM) expansion. Our map relies on remarkable connections between the relative momentum of the two­body problem, the classical limit of the scattering amplitude and the deflection angle in hyperbolic motion. These relationships allow us to compute observables for generic orbits (such as the periastron advance ∆Φ) through analytic continuation, via a radial action depending only on boundary data. A simplified (more geometrical) map can be obtained for circular orbits, enabling us to extract the orbital frequency as a function of the (conserved) binding energy, Ω(E), directly from scattering information. As an example, using the results in Bernet al. [36, 37], we readily derive Ω(E) and ∆Φ(J, E) to two-loop orders. We also provide closed-form expressions for the orbital frequency and periastron advance at tree-level and one-loop order, respectively, which capture a series of exact terms in the Post-Newtonian expansion. We then perform a partial PM resummation, using a no-recoil approximation for the amplitude. This limit is behind the map between the scattering angle for a test-particle and the two-body dynamics to 2PM. We show that it also captures a subset of higher order terms beyond the test-particle limit. While a (rather lengthy) Hamiltonian may be derived as an intermediate step, our map applies directly between gauge invariant quantities. Our findings provide a starting point for an alternative approach to the binary problem. We conclude with future directions and some speculations on the classical double copy.

LeukmiR: a database for miRNAs and their targets in acute lymphoblastic leukemia.

Acute lymphoblastic leukemia (ALL) is one of the most common hematological malignancies in children. Recent studies suggest the involvement of multiple microRNAs in the tumorigenesis of various leukemias. However, until now, no comprehensive database exists for miRNAs and their cognate target genes involved specifically in ALL. Therefore, we developed ‘LeukmiR’ a dynamic database comprising in silico predicted microRNAs, and experimentally validated miRNAs along with the target genes they regulate in mouse and human. LeukmiR is a user-friendly platform with search strings for ALL-associated microRNAs, their sequences, description of target genes, their location on the chromosomes and the corresponding deregulated signaling pathways. For the user query, different search modules exist where either quick search can be carried out using any fuzzy term or by providing exact terms in specific modules. All entries for both human and mouse genomes can be retrieved through multiple options such as miRNA ID, their accession number, sequence, target genes, Ensemble-ID or Entrez-ID. User can also access miRNA: mRNA interaction networks in different signaling pathways, the genomic location of the targeted regions such as 3′UTR, 5′UTR and exons with their gene ontology and disease ontology information in both human and mouse systems. Herein, we also report 51 novel microRNAs which are not described earlier for ALL. Thus, LeukmiR database will be a valuable source of information for researchers to understand and investigate miRNAs and their targets with diagnostic and therapeutic potential in ALL.Database URL: http://tdb.ccmb.res.in/LeukmiR/

Artificial Intelligence, Machine Learning, and Augmented Analytics [Life in C-Suite

This briefing focuses on Al/ML and augmented analytics. According to Investopedia, is a term for simulated intelligence in machines. The ideal characteristic of Al is its ability to rationalize and take actions that have the best chance of achieving a specific goal based around the idea that human intelligence can be defined in such exact terms that a machine can mimic it. ML is the concept that a computer program can learn and adapt to new data without human interference. Various sectors of the economy are dealing with huge amounts of data available in different formats from disparate sources. The enormous amount of data, known as big data, is becoming easily available and accessible due to the progressive use of technology. Augmented analytics automates data insight by utilizing ML and natural language processing to automate data preparation and enable data sharing. This advanced use, manipulation, and presentation of data simplifies data to present clear results and provides access to sophisticated tools so business users can make day-to-day decisions with confidence. Users can go beyond opinion and bias to get real insight and act on data quickly and accurately.

Hardy and Rellich inequalities with exact missing terms on homogeneous groups

We prove several identities on homogeneous groups that imply the Hardy and Rellich inequalities for Bessel pairs. These equalities give a straightforward understanding of some of the Hardy and Rellich inequalities as well as the absence of nontrivial optimizers and the existence/nonexistence of “virtual”extremizers.