arXiv subjects

Hua Guo

Publications and source records attributed to Hua Guo.

At least 37 records · Page 2Linked to original sources

arXiv2024

Artifact Correction in Magnetic Resonance Temperature Imaging for Laser Interstitial Thermotherapy with Multi-echo Acquisitions

In MRI-guided laser interstitial thermotherapy (MRgLITT), a signal void sometimes appears at the heating center of the measured temperature map. In neurosurgical MRgLITT treatments, cerebrospinal fluid pulsation (CSF), which may lead to temperature artifacts, also needs to be carefully managed. We find that signal loss in MR magnitude images can be one distinct contributor to the temperature imaging signal void. Therefore, this study aims to investigate this finding and more importantly. Also, this study intends to improve measurement accuracy by correcting CSF-induced temperature errors and employing a more reliable phase unwrapping algorithm. A gradient echo sequence with certain TE values for temperature imaging is used to quantify T2* variations during MRgLITT and to investigate the development of signal voids throughout the treatment. Informed by these findings, a multi-echo GRE sequence with appropriate TE coverage is employed. A multi-echo-based correction algorithm is developed to address the signal loss-induced temperature errors. A new phase unwrapping method and a new CSF pulsation correction approach are developed for multi-echo signal processing. The temperature imaging method is evaluated by gel phantom, ex-vivo, and in-vivo LITT heating experiments. T2* shortening during heating can be one important cause of the temperate imaging signal voids and this demands the multi-echo acquisition with varied TE values. The proposed multi-echo-based method can effectively correct signal loss-induced temperature errors and raise temperature estimation precision. The multi-echo thermometry in the in-vivo experiments shows smoother hotspot boundaries, fewer artifacts, and improved thermometry reliability. In the in-vivo experiments, the ablation areas estimated from the multi-echo thermometry also show satisfactory agreement with those determined from post-ablation MR imaging.

physics.med-ph↗

arXiv2024

Inelastic Triatom-Atom Quantum Close-Coupling Dynamics in Full Dimensionality: all rovibrational mode quenching of water due to H impact on a six-dimensional potential energy surface

The rovibrational level populations, and subsequent emission in various astrophysical environments, is driven by inelastic collision processes. The available rovibrational rate coefficients for water have been calculated using a number of approximations. We present a numerically exact calculation for the rovibrational quenching for all water vibrational modes due to collisions with atomic hydrogen. The scattering theory implements a quantum close-coupling (CC) method on a high level ab initio six-dimensional (6D) potential energy surface (PES). Total rovibrational quenching cross sections for excited bending levels were compared with earlier results on a 4D PES with the rigid-bender close-coupling (RBCC) approximation. General agreement between 6D-CC and 4D-RBCC calculations are found, but differences are evident including the energy and amplitude of low-energy orbiting resonances. Quenching cross sections from the symmetric and asymmetric stretch modes are provided for the first time. The current 6D-CC calculation provides accurate inelastic data needed for astrophysical modeling.

astro-ph.GA↗

arXiv2024

Comprehensive characterization of tumor therapeutic response with simultaneous mapping cell size, density, and transcytolemmal water exchange

Early assessment of tumor therapeutic response is an important topic in precision medicine to optimize personalized treatment regimens and reduce unnecessary toxicity, cost, and delay. Although diffusion MRI (dMRI) has shown potential to address this need, its predictive accuracy is limited, likely due to its unspecific sensitivity to overall pathological changes. In this work, we propose a new quantitative dMRI-based method dubbed EXCHANGE (MRI of water Exchange, Confined and Hindered diffusion under Arbitrary Gradient waveform Encodings) for simultaneous mapping of cell size, cell density, and transcytolemmal water exchange. Such rich microstructural information comprehensively evaluates tumor pathologies at the cellular level. Validations using numerical simulations and in vitro cell experiments confirmed that the EXCHANGE method can accurately estimate mean cell size, density, and water exchange rate constants. The results from in vivo animal experiments show the potential of EXCHANGE for monitoring tumor treatment response. Finally, the EXCHANGE method was implemented in breast cancer patients with neoadjuvant chemotherapy, demonstrating its feasibility in assessing tumor therapeutic response in clinics. In summary, a new, quantitative dMRI-based EXCHANGE method was proposed to comprehensively characterize tumor microstructural properties at the cellular level, suggesting a unique means to monitor tumor treatment response in clinical practice.

physics.med-ph↗

arXiv2024

Simultaneous Multi-Slice Diffusion Imaging using Navigator-free Multishot Spiral Acquisition

Purpose: This work aims to raise a novel design for navigator-free multiband (MB) multishot uniform-density spiral (UDS) acquisition and reconstruction, and to demonstrate its utility for high-efficiency, high-resolution diffusion imaging. Theory and Methods: Our design focuses on the acquisition and reconstruction of navigator-free MB multishot UDS diffusion imaging. For acquisition, radiofrequency (RF) pulse encoding was employed to achieve Controlled Aliasing in Parallel Imaging (CAIPI) in MB imaging. For reconstruction, a new algorithm named slice-POCS-enhanced Inherent Correction of phase Errors (slice-POCS-ICE) was proposed to simultaneously estimate diffusion-weighted images and inter-shot phase variations for each slice. The efficacy of the proposed methods was evaluated in both numerical simulation and in vivo experiments. Results: In both numerical simulation and in vivo experiments, slice-POCS-ICE estimated phase variations more precisely and provided results with better image quality than other methods. The inter-shot phase variations and MB slice aliasing artifacts were simultaneously resolved using the proposed slice-POCS-ICE algorithm. Conclusion: The proposed navigator-free MB multishot UDS acquisition and reconstruction method is an effective solution for high-efficiency, high-resolution diffusion imaging.

physics.med-ph↗

arXiv2024

Restriction-induced time-dependent transcytolemmal water exchange: Revisiting the Kärger exchange model

The Kärger model and its derivatives have been widely used to incorporate transcytolemmal water exchange rate, an essential characteristic of living cells, into analyses of diffusion MRI (dMRI) signals from tissues. The Kärger model consists of two homogeneous exchanging components coupled by an exchange rate constant and assumes measurements are made with sufficiently long diffusion time and slow water exchange. Despite successful applications, it remains unclear whether these assumptions are generally valid for practical dMRI sequences and biological tissues. In particular, barrier-induced restrictions to diffusion produce inhomogeneous magnetization distributions in relatively large-sized compartments such as cancer cells, violating the above assumptions. The effects of this inhomogeneity are usually overlooked. We performed computer simulations to quantify how restriction effects, which in images produce edge enhancements at compartment boundaries, influence different variants of the Kärger-model. The results show that the edge enhancement effect will produce larger, time-dependent estimates of exchange rates in e.g., tumors with relatively large cell sizes (>10 μm), resulting in overestimations of water exchange as previously reported. Moreover, stronger diffusion gradients, longer diffusion gradient durations, and larger cell sizes, all cause more pronounced edge enhancement effects. This helps us to better understand the feasibility of the Kärger model in estimating water exchange in different tissue types and provides useful guidance on signal acquisition methods that may mitigate the edge enhancement effect. This work also indicates the need to correct the overestimated transcytolemmal water exchange rates obtained assuming the Kärger-model.

physics.med-ph↗

arXiv2024

Mechanistic Insights into Non-Adiabatic Interband Transitions on a Semiconductor Surface Induced by Hydrogen Atom Collisions

To understand the recently observed mysterious non-adiabatic energy transfer for hyperthermal H atom scattering from a semiconductor surface, Ge(111)c(2*8), we present a mixed quantum-classical non-adiabatic molecular dynamics model based on time-dependent evolution of Kohn-Sham orbitals and a classical path approximation. Our results suggest that facile non-adiabatic transitions occur selectively at the rest atom site, featuring excitation of valance band electrons to the conduction band, but not at the adatom site. This drastic site specificity can be attributed to the changes of the local band structure upon energetic H collisions at different surface sites, leading to transient near-degeneracies and significant couplings between occupied and unoccupied orbitals at the rest atom, but not at the adatom. These insights shed valuable light on the collisional induced non-adiabatic dynamics at semiconductor surfaces.

physics.chem-ph↗

arXiv2023

Some New Methods to Generate Short Addition Chains

Modular exponentiation and scalar multiplication are important operations of most public key cryptosystems, and their fast calculation is essential to improve the system efficiency. The shortest addition chain is one of the most important mathematical concepts to realize the optimization. However, finding a shortest addition chain of length k is an NP-hard problem, whose time complexity is comparable to O($k!$). This paper proposes some novel methods to generate short addition chains. We firstly present a Simplified Power-tree method by deeply deleting the power-tree, whose time complexity is reduced to O($k^2$) sacrificing some increasing of the addition chain length. Moreover, a Cross Window method and its variant are introduced by improving the Window method. More precisely, the Cross Window method uses the cross correlation to deal with the windows and its pre-computation is optimized by the Addition Sequence algorithm. The theoretical analysis is conducted to show the correctness and effectiveness. Meanwhile, the experiment shows that the new methods can obtain shorter addition chains compared to the existing methods. The Cross Window method with the Addition Sequence algorithm can attain 9.5% reduction of the addition chain length, in the best case, compared to the Window method.

cs.CR↗

arXiv2023

East: Efficient and Accurate Secure Transformer Framework for Inference

Transformer has been successfully used in practical applications, such as ChatGPT, due to its powerful advantages. However, users' input is leaked to the model provider during the service. With people's attention to privacy, privacy-preserving Transformer inference is on the demand of such services. Secure protocols for non-linear functions are crucial in privacy-preserving Transformer inference, which are not well studied. Thus, designing practical secure protocols for non-linear functions is hard but significant to model performance. In this work, we propose a framework \emph{East} to enable efficient and accurate secure Transformer inference. Firstly, we propose a new oblivious piecewise polynomial evaluation algorithm and apply it to the activation functions, which reduces the runtime and communication of GELU by over 1.5$\times$ and 2.5$\times$, compared to prior arts. Secondly, the secure protocols for softmax and layer normalization are carefully designed to faithfully maintain the desired functionality. Thirdly, several optimizations are conducted in detail to enhance the overall efficiency. We applied \emph{East} to BERT and the results show that the inference accuracy remains consistent with the plaintext inference without fine-tuning. Compared to Iron, we achieve about 1.8$\times$ lower communication within 1.2$\times$ lower runtime.

cs.CR↗

arXiv2023

The Li + CaF $\to$ Ca + LiF chemical reaction under cold conditions

The calcium monofluoride (CaF) molecule has emerged as a promising candidate for precision measurements, quantum simulation, and ultracold chemistry experiments. Inelastic and reactive collisions of laser cooled CaF molecules in optical tweezers have recently been reported and collisions of cold Li atoms with CaF are of current experimental interest. In this paper, we report ab initio electronic structure and full-dimensional quantum dynamical calculations of the Li + CaF $\to$ LiF + Ca chemical reaction. The electronic structure calculations are performed using the internally contracted multi-reference configuration-interaction method with Davidson correction (MRCI+Q). An analytic fit of the interaction energies is obtained using a many-body expansion method. A coupled-channel quantum reactive scattering approach implemented in hyperspherical coordinates is adopted for the scattering calculations under cold conditions. Results show that the Li + CaF reaction populates several low-lying vibrational levels and many rotational levels of the product LiF molecule and that the reaction is inefficient in the 1-100 mK regime allowing sympathetic cooling of CaF by collisions with cold Li atoms.

physics.chem-ph↗

arXiv2023

Hybrid-space reconstruction with add-on distortion correction for simultaneous multi-slab diffusion MRI

Purpose: This study aims to propose a model-based reconstruction algorithm for simultaneous multi-slab diffusion MRI acquired with blipped-CAIPI gradients (blipped-SMSlab), which can also incorporate distortion correction. Methods: We formulate blipped-SMSlab in a 4D k-space with kz gradients for the intra-slab slice encoding and km (blipped-CAIPI) gradients for the inter-slab encoding. Because kz and km gradients share the same physical axis, the blipped-CAIPI gradients introduce phase interference in the z-km domain while motion induces phase variations in the kz-m domain. Thus, our previous k-space-based reconstruction would need multiple steps to transform data back and forth between k-space and image space for phase correction. Here we propose a model-based hybrid-space reconstruction algorithm to correct the phase errors simultaneously. Moreover, the proposed algorithm is combined with distortion correction, and jointly reconstructs data acquired with the blip-up/down acquisition to reduce the g-factor penalty. Results: The blipped-CAIPI-induced phase interference is corrected by the hybrid-space reconstruction. Blipped-CAIPI can reduce the g-factor penalty compared to the non-blipped acquisition in the basic reconstruction. Additionally, the joint reconstruction simultaneously corrects the image distortions and improves the 1/g-factors by around 50%. Furthermore, through the joint reconstruction, SMSlab acquisitions without the blipped-CAIPI gradients also show comparable correction performance with blipped-SMSlab. Conclusion: The proposed model-based hybrid-space reconstruction can reconstruct blipped-SMSlab diffusion MRI successfully. Its extension to a joint reconstruction of the blip-up/down acquisition can correct EPI distortions and further reduce the g-factor penalty compared with the separate reconstruction.

physics.med-ph↗

arXiv2023

3D Diffusion MRI Using Simultaneous Multi-slab with Blipped-CAIPI (Blipped-SMSlab) in a 4D K-space Framework

Purpose: To develop an efficient simultaneous multi-slab imaging method with blipped-controlled aliasing in parallel imaging (blipped-SMSlab) in a 4D k-space framework, and demonstrate its efficacy in high-resolution diffusion MRI (dMRI). Theory and Methods: First, the SMSlab 4D k-space signal expression is formulated, and the phase interferences from intra-slab and inter-slab encodings on the same physical z axis are analyzed. Then, the blipped-SMSlab dMRI sequence is designed, with blipped-CAIPI gradients for inter-slab encoding, and a 2D multi-band accelerated navigator for inter-kz-shot phase correction. Third, strategies are developed to remove the phase interferences, by RF phase modulation and/or phase correction during reconstruction, thus decoupling intra-slab and inter-slab encodings that are otherwise entangled. In vivo experiments are performed to validate the blipped-SMSlab method, and preliminarily evaluate its performance in high-resolution dMRI compared with traditional 2D imaging. Results: In the 4D k-space framework, inter-slab and intra-slab phase interferences of blipped-SMSlab are successfully removed using the proposed strategies. Compared with non-CAIPI sampling, the blipped-SMSlab acquisition reduces the g-factor and g-factor-related SNR penalty by about 12%. In addition, in vivo experiments show the SNR advantage of blipped-SMSlab dMRI over traditional 2D dMRI for 1.3 and 1.0 mm isotropic resolution imaging with matched acquisition time. Conclusion: Removing inter-slab and intra-slab phase interferences enables SMSlab dMRI with blipped-CAIPI in a 4D k-space framework. The proposed blipped-SMSlab dMRI is demonstrated to be more SNR-efficient than 2D dMRI and thus capable of high-quality, high-resolution fiber orientation detection.

physics.med-ph↗

arXiv2022

Cold collisions of rovibrationally excited D$_2$ molecules

The H$_2$+H$_2$ system has long been considered as a benchmark system for ro-vibrational energy transfer in bimolecular collisions. However, most studies thus far have focused on collisions involving H$_2$ molecules in the ground vibrational level or in the first excited vibrational state. While H$_2$+H$_2$/HD collisions have received wide attention due to the important role they play in astrophysics, D$_2$+D$_2$ collisions have received much less attention. Recently, Zhou et al. [Nat. Chem. 4 658 (2022)] examined stereodynamic aspects of rotational energy transfer in collisions of two aligned D$_2$ molecules prepared in the $v=2$ vibrational level and $j=2$ rotational level. Here, we report quantum calculations of rotational and vibrational energy transfer in collisions of two D$_2$ molecules prepared in vibrational levels up to $v=2$ and identify key resonance features that contribute to the angular distribution in the experimental results of Zhou et al. The quantum scattering calculations were performed in full dimensionality and using the rigid-rotor approximation using a recently-developed highly-accurate six-dimensional potential energy surface for the H$_4$ system that allows descriptions of collisions involving highly vibrationally excited H$_2$ and its isotopologues.

physics.chem-ph↗

arXiv2022

New classes of permutation polynomials with coefficients 1 over finite fields

Permutation polynomials with coefficients 1 over finite fields attract researchers' interests due to their simple algebraic form. In this paper, we first construct four classes of fractional permutation polynomials over the cyclic subgroup of $ \mathbb{F}_{2^{2m}} $. From these permutation polynomials, three new classes of permutation polynomials with coefficients 1 over $ \mathbb{F}_{2^{2m}} $ are constructed, and three more general new classes of permutation polynomials with coefficients 1 over $ \mathbb{F}_{2^{2m}} $ are constructed using a new method we presented recently. Some known permutation polynomials are the special cases of our new permutation polynomials. Furthermore, we prove that, in all new permutation polynomials, there exists a permutation polynomial which is EA-inequivalent to known permutation polynomials for all even positive integer $ m $. This proof shows that EA-inequivalent permutation polynomials over $ \mathbb{F}_{q} $ can be constructed from EA-equivalent permutation polynomials over the cyclic subgroup of $ \mathbb{F}_{q} $. From this proof, it is obvious that, in all new permutation polynomials, there exists a permutation polynomial of which algebraic degree is the maximum algebraic degree of permutation polynomials over $ \mathbb{F}_{2^{2m}} $.

math.NT↗

arXiv2022

Stereodynamical control of cold collisions between two aligned D2 molecules

Resonant scattering of optically state-prepared and aligned molecules in the cold regime allows the most detailed interrogation and control of bimolecular collisions. This technique has recently been applied to collisions of two aligned ortho-D2 molecules prepared in the j=2 rotational level of the v=2 vibrational manifold using the Stark-induced adiabatic Raman passage technique. Here, we develop the theoretical formalism for collisions of two aligned molecules and apply our approach to state-prepared D2(v=2,j=2) + D2(v=2,j=2) --> D2(v=2,j=2) + D2(v=2,j=0) collisions. Quantum scattering calculations were performed in full-dimensionality on an accurate H$_2$-H$_2$ interaction potential. Key features of the experimental angular distributions are reproduced and attributed primarily to a partial wave resonance with orbital angular momentum L=4

physics.atom-ph↗

arXiv2022

A New Method of Construction of Permutation Trinomials with Coefficients 1

Permutation polynomials over finite fields are an interesting and constantly active research subject of study for many years. They have important applications in areas of mathematics and engineering. In recent years, permutation binomials and permutation trinomials attract people's interests due to their simple algebraic forms. In this paper, by reversely using Tu's method for the characterization of permutation polynomials with exponents of Niho type, we propose a new method to construct permutation trinomials with coefficients 1. Moreover, we give the explicit compositional inverses of a class of permutation trinomials for a special case.

math.NT↗

arXiv2021

Determining Reaction Pathways at Low Temperatures by Isotopic Substitution: The Case of BeD+ + H2O

Trapped Be+ ions are a leading platform for quantum information science [1], but reactions with background gas species, such as H2 and H2O, result in qubit loss. Our experiment reveals that the BeOH+ ion is the final trapped ion species when both H2 and H2O exist in a vacuum system with cold, trapped Be+. To understand the loss mechanism, low-temperature reactions between sympathetically cooled BeD+ ions and H2O molecules have been investigated using an integrated, laser-cooled Be+ ion trap and high-resolution Time-of-Flight (TOF) mass spectrometer (MS) [2]. Among all the possible products,BeH2O+, H2DO+, BeOD+, and BeOH+, only the BeOH+ molecular ion was observed experimentally, with the assumed co-product of HD. Theoretical analyses based on explicitly correlated restricted coupled cluster singles, doubles, and perturbative triples (RCCSD(T)-F12) method with the augmented correlation-consistent polarized triple zeta (AVTZ) basis set reveal that two intuitive direct abstraction product channels, Be + H2DO+ and D + BeH2O+, are not energetically accessible at the present reaction temperature (~150 K). Instead, a double displacement BeOH+ + HD product channel is accessible due to a large exothermicity of 1.885 eV through a submerged barrier in the reaction pathway. While the BeOD+ + H2 product channel has a similar exothermicity, the reaction pathway is dynamically unfavourable, as suggested by a Sudden Vector Projection analysis. This work sheds light on the origin of the loss and contaminations of the laser-cooled Be+ ions in quantum-information experiments.

physics.chem-ph↗

arXiv2021

Rainbow scattering in rotationally inelastic collisions of HCl and H$_2$

We examine rotational transitions of HCl in collisions with H$_2$ by carrying out quantum mechanical close-coupling and quasi-classical trajectory calculations on a recently developed globally accurate full-dimensional ab initio potential energy surface for the H$_3$Cl system. Signatures of rainbow scattering in rotationally inelastic collisions are found in the state resolved integral and differential cross sections as functions of the impact parameter (initial orbital angular momentum) and final rotational quantum number. We show the coexistence of distinct dynamical regimes for the HCl rotational transition driven by the short-range repulsive and long-range attractive forces whose relative importance depends on the collision energy and final rotational state suggesting that classification of rainbow scattering into rotational and $l$-type rainbows is effective for H$_2$+HCl collisions. While the quasi-classical trajectory method satisfactorily predicts the overall behavior of the rotationally inelastic cross sections, its capability to accurately describe signatures of rainbow scattering appears to be limited for the present system.

physics.chem-ph↗

arXiv2020

Precision test of statistical dynamics with state-to-state ultracold chemistry

Chemical reactions represent a class of quantum problems that challenge both the current theoretical understanding and computational capabilities. Reactions that occur at ultralow temperatures provide an ideal testing ground for quantum chemistry and scattering theories, as they can be experimentally studied with unprecedented control, yet display dynamics that are highly complex. Here, we report the full product state distribution for the reaction 2KRb $\rightarrow$ K$_2$ + Rb$_2$. Ultracold preparation of the reactants grants complete control over their initial quantum degrees of freedom, while state-resolved, coincident detection of both products enables the measurement of scattering probabilities into all 57 allowed rotational state-pairs. Our results show an overall agreement with a state-counting model based on statistical theory, but also reveal several deviating state-pairs. In particular, we observe a strong suppression of population in the state-pair closest to the exoergicity limit, which we precisely determine to be $9.7711^{+0.0007}_{-0.0005}$ cm$^{-1}$, as a result of the long-range potential inhibiting the escape of products. The completeness of our measurements provides a valuable benchmark for quantum dynamics calculations beyond the current state-of-the-art.

physics.chem-ph↗