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Recent advances in machine learning have facilitated numerically accurate solution of the electronic Schr\"{o}dingerNet equation (SE) by integrating various neural network (NN)-based wavefunction ansatzes with variational Monte Carlo methods. Nevertheless, such NN-based methods are all based on the Born-Oppenheimer approximation (BOA) and require a separate and computationally expensive training for each nuclear configuration. In this work, we propose a novel NN architecture, Schr\"{o}dingerNet, to solve the full electronic-nuclear SE by defining a loss function designed to equalize local energies across the system. This approach is based on a rotationally invariant total wavefunction ansatz that includes both nuclear and electronic coordinates. This strategy allows for an efficient and accurate generation of a continuous potential energy surface at any geometry within the well-sampled nuclear configuration space, and also incorporates non-BO corrections, through a single training process. Comparison with benchmarks of atomic and molecular systems demonstrates its accuracy and efficiency, Comment: 4 figure

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., Comment: 40 pages, 6 figures

Simultaneous multislice (SMS) imaging is a powerful technique for accelerating magnetic resonance imaging (MRI) acquisitions. However, SMS reconstruction remains challenging due to the complex signal interactions between and within the excited slices. This study presents a robust SMS MRI reconstruction method using deep generative priors. Starting from Gaussian noise, we leverage denoising diffusion probabilistic models (DDPM) to gradually recover the individual slices through reverse diffusion iterations while imposing data consistency from the measured k-space under readout concatenation framework. The posterior sampling procedure is designed such that the DDPM training can be performed on single-slice images without special adjustments for SMS tasks. Additionally, our method integrates a low-frequency enhancement (LFE) module to address a practical issue that SMS-accelerated fast spin echo (FSE) and echo-planar imaging (EPI) sequences cannot easily embed autocalibration signals. Extensive experiments demonstrate that our approach consistently outperforms existing methods and generalizes well to unseen datasets. The code is available at https://github.com/Solor-pikachu/ROGER after the review process.

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., Comment: 10 figures + tables, 7 supplementary figures

Montgomery modular multiplication is widely-used in public key cryptosystems (PKC) and affects the efficiency of upper systems directly. However, modulus is getting larger due to the increasing demand of security, which results in a heavy computing cost. High-performance implementation of Montgomery modular multiplication is urgently required to ensure the highly-efficient operations in PKC. However, existing high-speed implementations still need a large amount redundant computing to simplify the intermediate result. Supports to the redundant representation is extremely limited on Montgomery modular multiplication. In this paper, we propose an efficient parallel variant of iterative Montgomery modular multiplication, called DRMMM, that allows the quotient can be computed in multiple iterations. In this variant, terms in intermediate result and the quotient in each iteration are computed in different radix such that computation of the quotient can be pipelined. Based on proposed variant, we also design high-performance hardware implementation architecture for faster operation. In the architecture, intermediate result in every iteration is denoted as three parts to free from redundant computations. Finally, to support FPGA-based systems, we design operators based on FPGA underlying architecture for better area-time performance. The result of implementation and experiment shows that our method reduces the output latency by 38.3\% than the fastest design on FPGA.

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.

This study investigates the efficacy of Stochastic Hill Climbing with Random Restarts (SHC-RR) compared to Local Search (LS) strategies within the Quantum Approximate Optimization Algorithm (QAOA) framework across various problem models. Employing uniform parameter settings, including the number of restarts and SHC steps, we analyze LS with two distinct perturbation operations: multiplication and summation. Our comparative analysis encompasses multiple versions of max-cut and random Ising model (RI) problems, utilizing QAOA models with depths ranging from $1L$ to $3L$. These models incorporate diverse mixing operator configurations, which integrate $RX$ and $RY$ gates, and explore the effects of an entanglement stage within the mixing operator. We also used Quantum Fisher Information (QFI) to compare the different QAOA models, demonstrating the importance of the placement of the entanglement stage in the overall performance of QAOA. Additionally, we observed that the QFI values of previous parameters are not affected as the depth of the quantum circuit increases. Our results consistently show that SHC-RR outperforms LS approaches, showcasing superior efficacy despite its ostensibly simpler optimization mechanism. Furthermore, we observe that the inclusion of entanglement stages within mixing operators significantly impacts model performance, either enhancing or diminishing results depending on the specific problem context., Comment: 51 pages, 19 tables, 22 figures

The K\"arger 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 K\"arger 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 K\"arger-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 {\mu}m), 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 K\"arger 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 K\"arger-model., Comment: 37 pages, 8 figures

Few-shot model compression aims to compress a large model into a more compact one with only a tiny training set (even without labels). Block-level pruning has recently emerged as a leading technique in achieving high accuracy and low latency in few-shot CNN compression. But, few-shot compression for Vision Transformers (ViT) remains largely unexplored, which presents a new challenge. In particular, the issue of sparse compression exists in traditional CNN few-shot methods, which can only produce very few compressed models of different model sizes. This paper proposes a novel framework for few-shot ViT compression named DC-ViT. Instead of dropping the entire block, DC-ViT selectively eliminates the attention module while retaining and reusing portions of the MLP module. DC-ViT enables dense compression, which outputs numerous compressed models that densely populate the range of model complexity. DC-ViT outperforms state-of-the-art few-shot compression methods by a significant margin of 10 percentage points, along with lower latency in the compression of ViT and its variants., Comment: Accepted to CVPR 2024. Note: Jianxin Wu is a contributing author for the arXiv version of this paper but is not listed as an author in the CVPR version due to his role as Program Chair

We propose and analyze a universal method to obtain fast charging of a quantum battery by a driven charger system using controlled, pure dephasing of the charger. While the battery displays coherent underdamped oscillations of energy for weak charger dephasing, the quantum Zeno freezing of the charger energy at high dephasing suppresses the rate of transfer of energy to the battery. Choosing an optimum dephasing rate between the regimes leads to a fast charging of the battery. We illustrate our results with the charger and battery modeled by either two-level systems or harmonic oscillators. Apart from the fast charging, the dephasing also renders the charging performance more robust to detuning between the charger, drive, and battery frequencies for the two-level systems case., Comment: 18 pages, 18 figures

The s-wave pion-pion scattering lengths $ a_0 $ and $ a_2 $ are studied at finite temperature and in finite spatial volume under the framework of the Nambu--Jona-Lasinio model. With the proper time regularization, the behavior beyond the pseudo transition temperature is presented. The scattering length $ a_0$ shows singularity near the Mott temperature and $ a_2$ is a continuous but non-monotonic function of temperature. We present the finite volume effect on the scattering length and have found that $a_0$ can be negative and its singularity disappears at small volume size which may hint the existence of chiral phase transition as volume decreases., Comment: 8 pages, 6figures. It is to be published in Chinese Physics C

Nowadays, infrared target tracking has been a critical technology in the field of computer vision and has many applications, such as motion analysis, pedestrian surveillance, intelligent detection, and so forth. Unfortunately, due to the lack of color, texture and other detailed information, tracking drift often occurs when the tracker encounters infrared targets that vary in size or shape. To address this issue, we present a twofold structured features-based Siamese network for infrared target tracking. First of all, in order to improve the discriminative capacity for infrared targets, a novel feature fusion network is proposed to fuse both shallow spatial information and deep semantic information into the extracted features in a comprehensive manner. Then, a multi-template update module based on template update mechanism is designed to effectively deal with interferences from target appearance changes which are prone to cause early tracking failures. Finally, both qualitative and quantitative experiments are carried out on VOT-TIR 2016 dataset, which demonstrates that our method achieves the balance of promising tracking performance and real-time tracking speed against other out-of-the-art trackers., Comment: 13 pages,9 figures,references added

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.

In this paper, we employ PCA and t-SNE analysis to gain deeper insights into the behavior of entangled and non-entangled mixing operators within the Quantum Approximate Optimization Algorithm (QAOA) at varying depths. Our study utilizes a dataset of parameters generated for max-cut problems using the Stochastic Hill Climbing with Random Restarts optimization method in QAOA. Specifically, we examine the $RZ$, $RX$, and $RY$ parameters within QAOA models at depths of $1L$, $2L$, and $3L$, both with and without an entanglement stage inside the mixing operator. The results reveal distinct behaviors when we process the final parameters of each set of experiments with PCA and t-SNE, where in particular, entangled QAOA models with $2L$ and $3L$ present an increase in the amount of information that can be preserved in the mapping. Furthermore, certain entangled QAOA graphs exhibit clustering effects in both PCA and t-SNE. Overall, the mapping results clearly demonstrate a discernible difference between entangled and non-entangled models, quantified numerically through explained variance in PCA and Kullback-Leibler divergence (after optimization) in t-SNE, where some of these differences are also visually evident in the mapping data produced by both methods., Comment: 38 pages, 36 figures, 24 tables