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S2 Open Access 2021
Science Requirements and Detector Concepts for the Electron-Ion Collider

R. A. Khalek, A. Accardi, J. Adam et al.

This report describes the physics case, the resulting detector requirements, and the evolving detector concepts for the experimental program at the Electron-Ion Collider (EIC). The EIC will be a powerful new high-luminosity facility in the United States with the capability to collide high-energy electron beams with high-energy proton and ion beams, providing access to those regions in the nucleon and nuclei where their structure is dominated by gluons. Moreover, polarized beams in the EIC will give unprecedented access to the spatial and spin structure of the proton, neutron, and light ions. The studies leading to this document were commissioned and organized by the EIC User Group with the objective of advancing the state and detail of the physics program and developing detector concepts that meet the emerging requirements in preparation for the realization of the EIC. The effort aims to provide the basis for further development of concepts for experimental equipment best suited for the science needs, including the importance of two complementary detectors and interaction regions. This report consists of three volumes. Volume I is an executive summary of our findings and developed concepts. In Volume II we describe studies of a wide range of physics measurements and the emerging requirements on detector acceptance and performance. Volume III discusses general-purpose detector concepts and the underlying technologies to meet the physics requirements. These considerations will form the basis for a world-class experimental program that aims to increase our understanding of the fundamental structure of all visible matter

1033 sitasi en Physics, Computer Science
S2 Open Access 2021
Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

E. Epifanovsky, A. Gilbert, Xintian Feng et al.

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange–correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear–electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an “open teamware” model and an increasingly modular design.

981 sitasi en Medicine
S2 Open Access 2014
Advances in molecular quantum chemistry contained in the Q-Chem 4 program package

Y. Shao, Zhengting Gan, E. Epifanovsky et al.

A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem quantum chemistry program is provided, covering approximately the last seven years. These include developments in density functional theory methods and algorithms, nuclear magnetic resonance (NMR) property evaluation, coupled cluster and perturbation theories, methods for electronically excited and open-shell species, tools for treating extended environments, algorithms for walking on potential surfaces, analysis tools, energy and electron transfer modelling, parallel computing capabilities, and graphical user interfaces. In addition, a selection of example case studies that illustrate these capabilities is given. These include extensive benchmarks of the comparative accuracy of modern density functionals for bonded and non-bonded interactions, tests of attenuated second order Møller–Plesset (MP2) methods for intermolecular interactions, a variety of parallel performance benchmarks, and tests of the accuracy of implicit solvation models. Some specific chemical examples include calculations on the strongly correlated Cr2 dimer, exploring zeolite-catalysed ethane dehydrogenation, energy decomposition analysis of a charged ter-molecular complex arising from glycerol photoionisation, and natural transition orbitals for a Frenkel exciton state in a nine-unit model of a self-assembling nanotube.

2643 sitasi en Physics
S2 Open Access 2014
Ultrasensitive terahertz sensing with high-Q Fano resonances in metasurfaces

Ranjan Singh, W. Cao, I. Al-Naib et al.

High quality factor resonances are extremely promising for designing ultra-sensitive refractive index label-free sensors, since it allows intense interaction between electromagnetic waves and the analyte material. Metamaterial and plasmonic sensing have recently attracted a lot of attention due to subwavelength confinement of electromagnetic fields in the resonant structures. However, the excitation of high quality factor resonances in these systems has been a challenge. We excite an order of magnitude higher quality factor resonances in planar terahertz metamaterials that we exploit for ultrasensitive sensing. The low-loss quadrupole and Fano resonances with extremely narrow linewidths enable us to measure the minute spectral shift caused due to the smallest change in the refractive index of the surrounding media. We achieve sensitivity levels of 7.75 × 103 nm/refractive index unit (RIU) with quadrupole and 5.7 × 104 nm/RIU with the Fano resonances which could be further enhanced by using thinner substrates. These findings would facilitate the design of ultrasensitive real time chemical and biomolecular sensors in the fingerprint region of the terahertz regime.

610 sitasi en Physics
S2 Open Access 2024
From $r$ to $Q^*$: Your Language Model is Secretly a Q-Function

Rafael Rafailov, Joey Hejna, Ryan Park et al.

Reinforcement Learning From Human Feedback (RLHF) has been critical to the success of the latest generation of generative AI models. In response to the complex nature of the classical RLHF pipeline, direct alignment algorithms such as Direct Preference Optimization (DPO) have emerged as an alternative approach. Although DPO solves the same objective as the standard RLHF setup, there is a mismatch between the two approaches. Standard RLHF deploys reinforcement learning in a specific token-level MDP, while DPO is derived as a bandit problem in which the whole response of the model is treated as a single arm. In this work we rectify this difference. We theoretically show that we can derive DPO in the token-level MDP as a general inverse Q-learning algorithm, which satisfies the Bellman equation. Using our theoretical results, we provide three concrete empirical insights. First, we show that because of its token level interpretation, DPO is able to perform some type of credit assignment. Next, we prove that under the token level formulation, classical search-based algorithms, such as MCTS, which have recently been applied to the language generation space, are equivalent to likelihood-based search on a DPO policy. Empirically we show that a simple beam search yields meaningful improvement over the base DPO policy. Finally, we show how the choice of reference policy causes implicit rewards to decline during training. We conclude by discussing applications of our work, including information elicitation in multi-turn dialogue, reasoning, agentic applications and end-to-end training of multi-model systems.

246 sitasi en Computer Science
S2 Open Access 2021
First evidence that non-metricity f(Q) gravity could challenge ΛCDM

Fotios Anagnostopoulos, S. Basilakos, E. Saridakis

Fotios K. Anagnostopoulos, Spyros Basilakos, 3 and Emmanuel N. Saridakis 4, 5 Department of Physics, National & Kapodistrian University of Athens, Zografou Campus GR 157 73, Athens, Greece National Observatory of Athens, Lofos Nymfon, 11852 Athens, Greece Academy of Athens, Research Center for Astronomy and Applied Mathematics, Soranou Efesiou 4, 11527, Athens, Greece CAS Key Laboratory for Researches in Galaxies and Cosmology, Department of Astronomy, University of Science and Technology of China, Hefei, Anhui 230026, P.R. China School of Astronomy, School of Physical Sciences, University of Science and Technology of China, Hefei 230026, P.R. China

265 sitasi en Physics
S2 Open Access 2023
Q-Transformer: Scalable Offline Reinforcement Learning via Autoregressive Q-Functions

Yevgen Chebotar, Q. Vuong, A. Irpan et al.

In this work, we present a scalable reinforcement learning method for training multi-task policies from large offline datasets that can leverage both human demonstrations and autonomously collected data. Our method uses a Transformer to provide a scalable representation for Q-functions trained via offline temporal difference backups. We therefore refer to the method as Q-Transformer. By discretizing each action dimension and representing the Q-value of each action dimension as separate tokens, we can apply effective high-capacity sequence modeling techniques for Q-learning. We present several design decisions that enable good performance with offline RL training, and show that Q-Transformer outperforms prior offline RL algorithms and imitation learning techniques on a large diverse real-world robotic manipulation task suite. The project's website and videos can be found at https://qtransformer.github.io

144 sitasi en Computer Science
S2 Open Access 2018
q-means: A quantum algorithm for unsupervised machine learning

Iordanis Kerenidis, Jonas Landman, Alessandro Luongo et al.

Quantum machine learning is one of the most promising applications of a full-scale quantum computer. Over the past few years, many quantum machine learning algorithms have been proposed that can potentially offer considerable speedups over the corresponding classical algorithms. In this paper, we introduce q-means, a new quantum algorithm for clustering which is a canonical problem in unsupervised machine learning. The $q$-means algorithm has convergence and precision guarantees similar to $k$-means, and it outputs with high probability a good approximation of the $k$ cluster centroids like the classical algorithm. Given a dataset of $N$ $d$-dimensional vectors $v_i$ (seen as a matrix $V \in \mathbb{R}^{N \times d})$ stored in QRAM, the running time of q-means is $\widetilde{O}\left( k d \frac{\eta}{\delta^2}\kappa(V)(\mu(V) + k \frac{\eta}{\delta}) + k^2 \frac{\eta^{1.5}}{\delta^2} \kappa(V)\mu(V) \right)$ per iteration, where $\kappa(V)$ is the condition number, $\mu(V)$ is a parameter that appears in quantum linear algebra procedures and $\eta = \max_{i} ||v_{i}||^{2}$. For a natural notion of well-clusterable datasets, the running time becomes $\widetilde{O}\left( k^2 d \frac{\eta^{2.5}}{\delta^3} + k^{2.5} \frac{\eta^2}{\delta^3} \right)$ per iteration, which is linear in the number of features $d$, and polynomial in the rank $k$, the maximum square norm $\eta$ and the error parameter $\delta$. Both running times are only polylogarithmic in the number of datapoints $N$. Our algorithm provides substantial savings compared to the classical $k$-means algorithm that runs in time $O(kdN)$ per iteration, particularly for the case of large datasets.

267 sitasi en Computer Science, Physics
S2 Open Access 2021
Wormhole geometries in f(Q) gravity and the energy conditions

A. Banerjee, A. Pradhan, Takol Tangphati et al.

Following the recent theory of f(Q) gravity, we continue to investigate the possible existence of wormhole geometries, where Q is the non-metricity scalar. Recently, the non-metricity scalar and the corresponding field equations have been studied for some spherically symmetric configurations in Mustafa (Phys Lett B 821:136612, 2021) and Lin and Zhai (Phys Rev D 103:124001, 2021). One can note that field equations are different in these two studies. Following Lin and Zhai (2021), we systematically study the field equations for wormhole solutions and found the violation of null energy conditions in the throat neighborhood. More specifically, considering specific choices for the f(Q) form and for constant redshift with different shape functions, we present a class of solutions for static and spherically symmetric wormholes. Our survey indicates that wormhole solutions could not exist for specific form function f(Q)=Q+αQ2\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$f(Q)= Q+ \alpha Q^2$$\end{document}. To summarize, exact wormhole models can be constructed with violation of the null energy condition throughout the spacetime while being ρ≥0\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{\oddsidemargin}{-69pt} \begin{document}$$\rho \ge 0$$\end{document} and vice versa.

136 sitasi en Physics
S2 Open Access 2011
Deterministic design of wavelength scale, ultra-high Q photonic crystal nanobeam cavities.

Q. Quan, M. Lončar

Photonic crystal nanobeam cavities are versatile platforms of interest for optical communications, optomechanics, optofluidics, cavity QED, etc. In a previous work [Appl. Phys. Lett. 96, 203102 (2010)], we proposed a deterministic method to achieve ultrahigh Q cavities. This follow-up work provides systematic analysis and verifications of the deterministic design recipe and further extends the discussion to air-mode cavities. We demonstrate designs of dielectric-mode and air-mode cavities with Q > 10⁹, as well as dielectric-mode nanobeam cavities with both ultrahigh-Q (> 10⁷) and ultrahigh on-resonance transmissions (T > 95%).

430 sitasi en Physics, Medicine
S2 Open Access 2018
Fuzzy Q-Learning for multi-agent decentralized energy management in microgrids

P. Kofinas, A. Dounis, G. Vouros

Abstract This study proposes a cooperative multi-agent system for managing the energy of a stand-alone microgrid. The multi-agent system learns to control the components of the microgrid so as this to achieve its purposes and operate effectively, by means of a distributed, collaborative reinforcement learning method in continuous actions-states space. Stand-alone microgrids present challenges regarding guaranteeing electricity supply and increasing the reliability of the system under the uncertainties introduced by the renewable power sources and the stochastic demand of the consumers. In this article we consider a microgrid that consists of power production, power consumption and power storage units: the power production group includes a Photovoltaic source, a fuel cell and a diesel generator; the power consumption group includes an electrolyzer unit, a desalination plant and a variable electrical load that represent the power consumption of a building; the power storage group includes only the Battery bank. We conjecture that a distributed multi-agent system presents specific advantages to control the microgrid components which operate in a continuous states and actions space: For this purpose we propose the use of fuzzy Q-Learning methods for agents representing microgrid components to act as independent learners, while sharing state variables to coordinate their behavior. Experimental results highlight both the effectiveness of individual agents to control system components, as well as the effectiveness of the multi-agent system to guarantee electricity supply and increase the reliability of the microgrid.

192 sitasi en Computer Science
S2 Open Access 2020
Cosmography in f(Q) gravity

Sanjay Mandal, Deng Wang, P. Sahoo

Cosmography is an ideal tool to investigate the cosmic expansion history of the Universe in a model-independent way. The equations of motion in modified theories of gravity are usually very complicated; cosmography may select practical models without imposing arbitrary choices a priori. We use the model-independent way to derive $f(z)$ and its derivatives up to fourth order in terms of measurable cosmographic parameters. We then fit those functions into the luminosity distance directly. We perform the MCMC analysis by considering three different sets of cosmographic functions. Using the largest supernovae Ia Pantheon sample, we derive the constraints on the Hubble constant $H_0$ and the cosmographic functions, and find that the former two terms in Taylor expansion of luminosity distance work dominantly in $f(Q)$ gravity.

119 sitasi en Physics
S2 Open Access 2018
Interval valued q-rung orthopair fuzzy sets and their properties

B. Joshi, Akhilesh Singh, P. Bhatt et al.

Yager [1] introduced the concept of q-rung orthopair fuzzy sets (q-ROFSs) in which the sum of the qth exponent of the support for membership and the qth exponent of the support against membership is bounded by one. Thus, the q-ROFSs are an important way to express uncertain information in broader space, and they are superior to the intuitionistic fuzzy sets (IFSs) and the Pythagorean fuzzy sets (PFSs). However, in dealing with many real life situations, it is not appropriate for experts to precisely quantify their judgements with a crisp number due to insufficiency in available information. In such situation it is advisable for decision makers to provide their judgements by the subset of the closed interval [0, 1]. The notion of interval-valued q-rung orthopair fuzzy sets (IVq-ROFSs) is presented in this paper, which allows decision makers to provide their satisfying degrees and non-satisfying degrees to a given set of alternatives by an interval value. Some of its important operations such as: negation, union and intersection are also given. Based on these operations, the aggregation of IVq-ROFSs is also studied.

154 sitasi en Computer Science

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