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Proportional control can be realized directly through the amplification of analog signals, and it also has the advantage of easy tuning parameters in digital signal control. However, it is difficult for the proportional control to preset the upper bound of settling time. To address this problem, a novel practical explicit-time control method is proposed. In bounded initial condition, this method makes this system error converge to a predefined neighborhood of zero within an explicit time. More specifically, the initial condition set and conditionally stable set are solved by practical explicit-time stabilization theorem. Based on that, a proportional feedback control is founded to achieve practical conditional fixed-time stability.

The goal of image registration is to establish spatial correspondence between two or more images, traditionally through dense displacement fields (DDFs) or parametric transformations (e.g., rigid, affine, and splines). Rethinking the existing paradigms of achieving alignment via spatial transformations, we uncover an alternative but more intuitive correspondence representation: a set of corresponding regions-of-interest (ROI) pairs, which we demonstrate to have sufficient representational capability as other correspondence representation methods.Further, it is neither necessary nor sufficient for these ROIs to hold specific anatomical or semantic significance. In turn, we formulate image registration as searching for the same set of corresponding ROIs from both moving and fixed images - in other words, two multi-class segmentation tasks on a pair of images. For a general-purpose and practical implementation, we integrate the segment anything model (SAM) into our proposed algorithms, resulting in a SAM-enabled registration (SAMReg) that does not require any training data, gradient-based fine-tuning or engineered prompts. We experimentally show that the proposed SAMReg is capable of segmenting and matching multiple ROI pairs, which establish sufficiently accurate correspondences, in three clinical applications of registering prostate MR, cardiac MR and abdominal CT images. Based on metrics including Dice and target registration errors on anatomical structures, the proposed registration outperforms both intensity-based iterative algorithms and DDF-predicting learning-based networks, even yielding competitive performance with weakly-supervised registration which requires fully-segmented training data., Comment: Early Accepted by MICCAI2024

To meet the increasing demand of quantum chemistry calculations in data-driven chemical research, the collaboration between industrial stakeholders and the quantum chemistry community has led to the development of GPU4PySCF, a GPU-accelerated Python package. This open-source project is accessible via its public GitHub repository at \url{https://github.com/pyscf/gpu4pyscf}. This paper outlines the primary features, innovations, and advantages of this package. When performing Density Functional Theory (DFT) calculations on modern GPU platforms, GPU4PySCF delivers 30 times speedup over a 32-core CPU node, resulting in approximately 90% cost savings for most DFT tasks. The performance advantages and productivity improvements have been found in multiple industrial applications, such as generating potential energy surfaces, analyzing molecular properties, calculating solvation free energy, identifying chemical reactions in lithium-ion batteries, and accelerating neural-network methods. To make the package easy to extend and integrate with other Python packages, it is designed with PySCF-compatible interfaces and Pythonic implementations. This design choice enhances its coordination with the Python ecosystem., Comment: 32 pages, 14 figures

Despite the widespread applications of machine learning force field (MLFF) on solids and small molecules, there is a notable gap in applying MLFF to complex liquid electrolytes. In this work, we introduce BAMBOO (ByteDance AI Molecular Simulation Booster), a novel framework for molecular dynamics (MD) simulations, with a demonstration of its capabilities in the context of liquid electrolytes for lithium batteries. We design a physics-inspired graph equivariant transformer architecture as the backbone of BAMBOO to learn from quantum mechanical simulations. Additionally, we pioneer an ensemble knowledge distillation approach and apply it on MLFFs to improve the stability of MD simulations. Finally, we propose the density alignment algorithm to align BAMBOO with experimental measurements. BAMBOO demonstrates state-of-the-art accuracy in predicting key electrolyte properties such as density, viscosity, and ionic conductivity across various solvents and salt combinations. Our current model, trained on more than 15 chemical species, achieves the average density error of 0.01 g/cm$^3$ on various compositions compared with experimental data. Moreover, our model demonstrates transferability to molecules not included in the quantum mechanical dataset. We envision this work as paving the way to a "universal MLFF" capable of simulating properties of common organic liquids.

We report on the results of a search for radio pulsars in five supernova remnants (SNRs) with FAST. The observations were made using the 19-beam receiver in the Snapshot mode. The integration time for each pointing is 10 min. We discovered a new pulsar PSR J1845$-$0306 which has a spin period of 983.6 ms and a dispersion measure of 444.6$\pm$2.0 cm$^{-3}$ pc in observations of SNR G29.6+0.1. To judge the association between the pulsar and the SNR, further verification is needed. We also re-detected some known pulsars in the data from SNRs G29.6+0.1 and G29.7$-$0.3. No pulsars were detected in observations of other three SNRs., Comment: 6 pages, 2 figures, 2 tables published in CPL

In this paper we propose a reinforcement learning based weakly supervised system for localisation. We train a controller function to localise regions of interest within an image by introducing a novel reward definition that utilises non-binarised classification probability, generated by a pre-trained binary classifier which classifies object presence in images or image crops. The object-presence classifier may then inform the controller of its localisation quality by quantifying the likelihood of the image containing an object. Such an approach allows us to minimize any potential labelling or human bias propagated via human labelling for fully supervised localisation. We evaluate our proposed approach for a task of cancerous lesion localisation on a large dataset of real clinical bi-parametric MR images of the prostate. Comparisons to the commonly used multiple-instance learning weakly supervised localisation and to a fully supervised baseline show that our proposed method outperforms the multi-instance learning and performs comparably to fully-supervised learning, using only image-level classification labels for training., Comment: Accepted at ISBI 2024 (21st IEEE International Symposium on Biomedical Imaging)

For training registration networks, weak supervision from segmented corresponding regions-of-interest (ROIs) have been proven effective for (a) supplementing unsupervised methods, and (b) being used independently in registration tasks in which unsupervised losses are unavailable or ineffective. This correspondence-informing supervision entails cost in annotation that requires significant specialised effort. This paper describes a semi-weakly-supervised registration pipeline that improves the model performance, when only a small corresponding-ROI-labelled dataset is available, by exploiting unlabelled image pairs. We examine two types of augmentation methods by perturbation on network weights and image resampling, such that consistency-based unsupervised losses can be applied on unlabelled data. The novel WarpDDF and RegCut approaches are proposed to allow commutative perturbation between an image pair and the predicted spatial transformation (i.e. respective input and output of registration networks), distinct from existing perturbation methods for classification or segmentation. Experiments using 589 male pelvic MR images, labelled with eight anatomical ROIs, show the improvement in registration performance and the ablated contributions from the individual strategies. Furthermore, this study attempts to construct one of the first computational atlases for pelvic structures, enabled by registering inter-subject MRs, and quantifies the significant differences due to the proposed semi-weak supervision with a discussion on the potential clinical use of example atlas-derived statistics.

Nonclassical phenomena tied to entangled states are focuses of foundational studies and powerful resources in many applications. By contrast, the counterparts on quantum measurements are still poorly understood. Notably, genuine multipartite nonclassicality is barely discussed, not to say experimental realization. Here we experimentally demonstrate the power of genuine tripartite nonclassicality in quantum measurements based on a simple estimation problem. To this end we realize an optimal genuine three-copy collective measurement via a nine-step two-dimensional photonic quantum walk with 30 elaborately designed coin operators. Then we realize an optimal estimation protocol and achieve an unprecedented high estimation fidelity, which can beat all strategies based on restricted collective measurements by more than 11 standard deviations. These results clearly demonstrate that genuine collective measurements can extract more information than local measurements and restricted collective measurements. Our work opens the door for exploring genuine multipartite nonclassical measurements and their power in quantum information processing.

Quantum measurements based on mutually unbiased bases (MUB) play crucial roles in foundational studies and quantum information processing. It is known that there exist inequivalent MUB, but little is known about their operational distinctions, not to say experimental demonstration. In this work, by virtue of a simple estimation problem we experimentally demonstrate the operational distinctions between inequivalent triples of MUB in dimension 4 based on high-precision photonic systems. The experimental estimation fidelities coincide well with the theoretical predictions with only 0.16$\%$ average deviation, which is 25 times less than the difference (4.1$\%$) between the maximum estimation fidelity and the minimum estimation fidelity. Our experiments clearly demonstrate that inequivalent MUB have different information extraction capabilities and different merits for quantum information processing.

One of the distinct characteristics in radiologists' reading of multiparametric prostate MR scans, using reporting systems such as PI-RADS v2.1, is to score individual types of MR modalities, T2-weighted, diffusion-weighted, and dynamic contrast-enhanced, and then combine these image-modality-specific scores using standardised decision rules to predict the likelihood of clinically significant cancer. This work aims to demonstrate that it is feasible for low-dimensional parametric models to model such decision rules in the proposed Combiner networks, without compromising the accuracy of predicting radiologic labels: First, it is shown that either a linear mixture model or a nonlinear stacking model is sufficient to model PI-RADS decision rules for localising prostate cancer. Second, parameters of these (generalised) linear models are proposed as hyperparameters, to weigh multiple networks that independently represent individual image modalities in the Combiner network training, as opposed to end-to-end modality ensemble. A HyperCombiner network is developed to train a single image segmentation network that can be conditioned on these hyperparameters during inference, for much improved efficiency. Experimental results based on data from 850 patients, for the application of automating radiologist labelling multi-parametric MR, compare the proposed combiner networks with other commonly-adopted end-to-end networks. Using the added advantages of obtaining and interpreting the modality combining rules, in terms of the linear weights or odds-ratios on individual image modalities, three clinical applications are presented for prostate cancer segmentation, including modality availability assessment, importance quantification and rule discovery., Comment: 30 pages, 6 figures

We report the radio observations of the eclipsing black widow pulsar J1720-0534, a 3.26 ms pulsar in orbit with a low mass companion of mass 0.029 to 0.034 M$_{\odot}$. We obtain the phase-connected timing ephemeris and polarization profile of this millisecond pulsar (MSP) using the Five-hundred-meter Aperture Spherical Radio Telescope (FAST), the Green Bank Telescope (GBT), and the Parkes Telescope. For the first time from such a system, an oscillatory polarisation angle change was observed from a particular eclipse egress with partial depolarization, indicating 10-milliGauss-level reciprocating magnetic fields oscillating in a length scale of 5000 km (assuming an orbital inclination angle of 90 degrees) outside the companion's magnetosphere. The dispersion measure variation observed during the ingresses and egresses shows the rapid raising of the electron density in the shock boundary between the companion's magnetosphere and the surrounding pulsar wind. We suggest that the observed oscillatory magnetic fields originate from the pulsar wind outside the companion's magnetosphere., Comment: 15 pages, 8 figures, 1 table, accepted by RAA

Machine learning force fields (MLFF) have been proposed to accelerate molecular dynamics (MD) simulation, which finds widespread applications in chemistry and biomedical research. Even for the most data-efficient MLFFs, reaching chemical accuracy can require hundreds of frames of force and energy labels generated by expensive quantum mechanical algorithms, which may scale as $O(n^3)$ to $O(n^7)$, with $n$ proportional to the number of basis functions. To address this issue, we propose a multi-stage computational framework -- ASTEROID, which lowers the data cost of MLFFs by leveraging a combination of cheap inaccurate data and expensive accurate data. The motivation behind ASTEROID is that inaccurate data, though incurring large bias, can help capture the sophisticated structures of the underlying force field. Therefore, we first train a MLFF model on a large amount of inaccurate training data, employing a bias-aware loss function to prevent the model from overfitting tahe potential bias of this data. We then fine-tune the obtained model using a small amount of accurate training data, which preserves the knowledge learned from the inaccurate training data while significantly improving the model's accuracy. Moreover, we propose a variant of ASTEROID based on score matching for the setting where the inaccurate training data are unlabeled. Extensive experiments on MD datasets and downstream tasks validate the efficacy of ASTEROID. Our code and data are available at https://github.com/abukharin3/asteroid.

We propose an image synthesis mechanism for multi-sequence prostate MR images conditioned on text, to control lesion presence and sequence, as well as to generate paired bi-parametric images conditioned on images e.g. for generating diffusion-weighted MR from T2-weighted MR for paired data, which are two challenging tasks in pathological image synthesis. Our proposed mechanism utilises and builds upon the recent stable diffusion model by proposing image-based conditioning for paired data generation. We validate our method using 2D image slices from real suspected prostate cancer patients. The realism of the synthesised images is validated by means of a blind expert evaluation for identifying real versus fake images, where a radiologist with 4 years experience reading urological MR only achieves 59.4% accuracy across all tested sequences (where chance is 50%). For the first time, we evaluate the realism of the generated pathology by blind expert identification of the presence of suspected lesions, where we find that the clinician performs similarly for both real and synthesised images, with a 2.9 percentage point difference in lesion identification accuracy between real and synthesised images, demonstrating the potentials in radiological training purposes. Furthermore, we also show that a machine learning model, trained for lesion identification, shows better performance (76.2% vs 70.4%, statistically significant improvement) when trained with real data augmented by synthesised data as opposed to training with only real images, demonstrating usefulness for model training., Comment: Accepted at MIDL 2023 (The Medical Imaging with Deep Learning conference, 2023)