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In this study, we introduce a novel approach in quantum field theories to estimate the action using the artificial neural networks (ANNs). The estimation is achieved by learning on system configurations governed by the Boltzmann factor, $e^{-S}$ at different temperatures within the imaginary time formalism of thermal field theory. We focus on 0+1 dimensional quantum field with kink/anti-kink configurations to demonstrate the feasibility of the method. The continuous-mixture autoregressive networks (CANs) enable the construction of accurate effective actions with tractable probability density estimation. Our numerical results demonstrate that this methodology not only facilitates the construction of effective actions at specified temperatures but also adeptly estimates the action at intermediate temperatures using data from both lower and higher temperature ensembles. This capability is especially valuable for the detailed exploration of phase diagrams., Comment: 8 pages, 4 figures. Comments welcome!

Nickel-rich layered oxide cathodes promise ultrahigh energy density but is plagued by the mechanical failure of the secondary particle upon (de)lithiation. Existing approaches for alleviating the structural degradation could retard pulverization, yet fail to tune the stress distribution and root out the formation of cracks. Herein, we report a unique strategy to uniformize the stress distribution in secondary particle via Kirkendall effect to stabilize the core region during electrochemical cycling. Exotic metal/metalloid oxides (such as Al2O3 or SiO2) is introduced as the heterogeneous nucleation seeds for the preferential growth of the precursor. The calcination treatment afterwards generates a dopant-rich interior structure with central Kirkendall void, due to the different diffusivity between the exotic element and nickel atom. The resulting cathode material exhibits superior structural and electrochemical reversibility, thus contributing to a high specific energy density (based on cathode) of 660 Wh kg−1 after 500 cycles with a retention rate of 86%. This study suggests that uniformizing stress distribution represents a promising pathway to tackle the structural instability facing nickel-rich layered oxide cathodes., RST/Storage of Electrochemical Energy

Colonies of bacteria endowed with a pili-based self-propulsion machinery are ideal models for investigating the structure and dynamics of active many-particle systems. We study Neisseria gonorrhoeae colonies with a molecular-dynamics-based approach. A generic, adaptable simulation method for particle systems with fluctuating bond-like interactions is devised. In a first study, the simulations are employed to investigate growth of bacterial colonies and the dependence of the colony structure on cell-cell interactions. In colonies, pilus retraction enhances local ordering. For colonies consisting of different types of cells, the simulations show a segregation depending on the pili-mediated interactions among different cells. These results agree with experimental observations. Next, we quantify the power-spectral density of colony-shape fluctuations in silico. Simulations predict a strong violation of the equilibrium fluctuation-response relation. Furthermore, we show that active force generation enables colonies to spread on surfaces and to invade narrow channels. The methodology can serve as a foundation for future studies of active many-particle systems at boundaries with complex shape. Bacterial colonies can attach and wet on surfaces like liquid droplets. Little is known about what factors affect the wetting of bacterial colonies. In a second study, we combine experimental data with our particle-based simulations and analytical calculations to show that azithromycin treatment enhances the wettability of Neisseria gonorrhoeae colonies. We show that the steady-state contact angle is not only determined by parameters that determine an equilibrium state, but also depends on dynamical quantities like the friction constant. Thus, surface-wetting of Neisseria gonorrhoeae colonies is a genuine non-equilibrium process. The thickness of the diffuse interface of the colonies is non-negligible compared to the colony radius, which gives rise to a finite Tolman length and a con

Federated neuromorphic learning (FedNL) leverages event-driven spiking neural networks and federated learning frameworks to effectively execute intelligent analysis tasks over amounts of distributed low-power devices but also perform vulnerability to poisoning attacks. The threat of backdoor attacks on traditional deep neural networks typically comes from time-invariant data. However, in FedNL, unknown threats may be hidden in time-varying spike signals. In this paper, we start to explore a novel vulnerability of FedNL-based systems with the concept of time division multiplexing, termed Spikewhisper, which allows attackers to evade detection as much as possible, as multiple malicious clients can imperceptibly poison with different triggers at different timeslices. In particular, the stealthiness of Spikewhisper is derived from the time-domain divisibility of global triggers, in which each malicious client pastes only one local trigger to a certain timeslice in the neuromorphic sample, and also the polarity and motion of each local trigger can be configured by attackers. Extensive experiments based on two different neuromorphic datasets demonstrate that the attack success rate of Spikewispher is higher than the temporally centralized attacks. Besides, it is validated that the effect of Spikewispher is sensitive to the trigger duration.

We investigate certified robustness for GNNs under graph injection attacks. Existing research only provides sample-wise certificates by verifying each node independently, leading to very limited certifying performance. In this paper, we present the first collective certificate, which certifies a set of target nodes simultaneously. To achieve it, we formulate the problem as a binary integer quadratic constrained linear programming (BQCLP). We further develop a customized linearization technique that allows us to relax the BQCLP into linear programming (LP) that can be efficiently solved. Through comprehensive experiments, we demonstrate that our collective certification scheme significantly improves certification performance with minimal computational overhead. For instance, by solving the LP within 1 minute on the Citeseer dataset, we achieve a significant increase in the certified ratio from 0.0% to 81.2% when the injected node number is 5% of the graph size. Our step marks a crucial step towards making provable defense more practical.

Signed graphs consist of edges and signs, which can be separated into structural information and balance-related information, respectively. Existing signed graph neural networks (SGNNs) typically rely on balance-related information to generate embeddings. Nevertheless, the emergence of recent adversarial attacks has had a detrimental impact on the balance-related information. Similar to how structure learning can restore unsigned graphs, balance learning can be applied to signed graphs by improving the balance degree of the poisoned graph. However, this approach encounters the challenge "Irreversibility of Balance-related Information" - while the balance degree improves, the restored edges may not be the ones originally affected by attacks, resulting in poor defense effectiveness. To address this challenge, we propose a robust SGNN framework called Balance Augmented-Signed Graph Contrastive Learning (BA-SGCL), which combines Graph Contrastive Learning principles with balance augmentation techniques. Experimental results demonstrate that BA-SGCL not only enhances robustness against existing adversarial attacks but also achieves superior performance on link sign prediction task across various datasets.

The transformer networks are extensively utilized in face forgery detection due to their scalability across large datasets.Despite their success, transformers face challenges in balancing the capture of global context, which is crucial for unveiling forgery clues, with computational complexity.To mitigate this issue, we introduce Band-Attention modulated RetNet (BAR-Net), a lightweight network designed to efficiently process extensive visual contexts while avoiding catastrophic forgetting.Our approach empowers the target token to perceive global information by assigning differential attention levels to tokens at varying distances. We implement self-attention along both spatial axes, thereby maintaining spatial priors and easing the computational burden.Moreover, we present the adaptive frequency Band-Attention Modulation mechanism, which treats the entire Discrete Cosine Transform spectrogram as a series of frequency bands with learnable weights.Together, BAR-Net achieves favorable performance on several face forgery datasets, outperforming current state-of-the-art methods.

Liping Shen,1,* Linping Chen,1,* Hongbo Chi,1 Lifei Luo,1 Jinsu Ruan,1 Xinzhuan Zhao,1 Yi Jiang,1 Tao-Hsin Tung,2 Hongguo Zhu,1 Kai Zhou,1 Bo Shen,1 Jiaqin Xu1 1Department of Clinical Laboratory, Taizhou Hospital of Zhejiang Province Affiliated to Wenzhou Medical University, Taizhou, People’s Republic of China; 2Evidence-Based Medicine Center, Taizhou Hospital of Zhejiang Province Affiliated to Wenzhou Medical University, Taizhou, People’s Republic of China*These authors contributed equally to this workCorrespondence: Jiaqin Xu; Bo Shen, Department of Clinical Laboratory, Taizhou Hospital of Zhejiang Province Affiliated to Wenzhou Medical University, Taizhou, People’s Republic of China, Tel +86-13968607148 ; +86 13586121278, Email xujq@enzemed.com; shenb@enzemed.comPurpose: Information about dynamic changes occurring in the parameters and morphology of erythrocytes and platelets during the coronavirus disease 2019 (COVID-19) infection and convalescence is scarce. To explore potential associations between dynamic erythrocyte and platelet parameters, morphological changes, and the course or severity of the disease is essential.Patients and Methods: From January 17th, 2020, to February 20th, 2022, we followed up on 35 patients with non-severe and 11 patients with severe COVID-19 following their discharge. We collected clinical features, dynamic complete blood count (CBC), and peripheral blood smears (PBS) and analyzed parameter and morphological changes of erythrocytes and platelets depending on the course or severity of the disease. The course of the disease included four periods, namely onset (T1), discharge (T2), 1-year follow-up (T3), and 2-year follow-up (T4).Results: Red blood cell (RBC) counts and hemoglobin were the lowest in T2, followed by T1, and lower in T1 and T2 than in T3 and T4. Inversely, the red blood cell distribution width (RDW) was the highest in T2, followed by T1, and higher than in T3 and T4. Compared to non-severe

Relativistic collision of isobaric systems is found to be valuable in differentiating the nucleon distributions for nuclei with the same mass number. In recent contrast experiment of $^{96}_{44}\text{Ru}+^{96}_{44}\text{Ru}$ versus $^{96}_{40}\text{Zr}+^{96}_{40}\text{Zr}$ collisions at $\sqrt{s_\text{NN}} = 200~\text{GeV}$, the ratios of multiplicity distribution, elliptic flow, triangular flow, and radial flow are precisely measured and found to be significantly different from unity, indicating the difference in the shapes of the isobar pair. In this work, we investigate the feasibility of nuclear structure reconstruction from heavy-ion collision observables. We perform Bayesian Inference with employing the Monte-Carlo Glauber model as an estimator of the mapping from nuclear structure to the final state observables and to provide the mock data for reconstruction. By varying combination of observables included in the mock data, we find it plausible to infer Woods--Saxon parameters from the observables. We also observe that single-system multiplicity distribution for the isobar system, rather than their ratio, is crucial to simultaneously determine the nuclear structure for the isobar system., Comment: Previously entitled "How does Bayesian analysis infer the nucleon distributions in isobar collisions?"

We study the momentum and centrality dependence of the non-prompt $J/\psi$ nuclear modification factors ($R_{AA}$), which comes from the $B$ hadrons decay, in Pb-Pb collisions at the Large Hadron Collider. Bottom quarks are produced in the parton hard scatterings and suffer energy loss in the quark-gluon plasma and the hadronic gas, where the spatial and time evolution of the medium is described with the hydrodynamic equations. Medium-induced elastic scatterings and the radiation in bottom quarks are included in the energy loss of bottom quarks. The hadronization process of bottom quarks is described with the instantaneous coalescence model. After considering both cold and hot nuclear matter effects in Pb-Pb collisions at $\sqrt{s_{NN}}=5.02$ TeV, we calculated the $R_{AA}$ and also the elliptic flows of non-prompt $J/\psi$ from the decay of $B$ mesons at different centralities and transverse momentum bins. The $R_{AA}$ and $v_2$ of non-prompt $J/\psi$ sensitive to the hot medium reflect and centrality supply an opportunity to study the bottom quarks energy loss in the hot medium., Comment: 7 pages, 6 figures

The centrality determination and the estimated fluctuations of number of participant nucleons $N_{part}$ in Au-Au collisions at 1.23 $A$GeV beam kinetic energy suffers from severe model dependencies. Comparing the Glauber Monte Carlo (MC) and UrQMD transport models, it is shown that $N_{part}$ is a strongly model dependant quantity. In addition, for any given centrality class, Glauber MC and UrQMD predicts drastically different $N_{part}$ distributions. The impact parameter $b$ and the number of charged particles $N_{ch}$ on the other hand are much more correlated and give an almost model independent centrality estimator. It is suggested that the total baryon number balance, from integrated rapidity distributions, can be used instead of $N_{part}$ in experiments. Preliminary HADES data show significant differences to both, UrQMD simulations and STAR data in this respect., Comment: 11 pages, 9 figures

Though being seemingly disparate and with relatively new intersection, high energy nuclear physics and machine learning have already begun to merge and yield interesting results during the last few years. It's worthy to raise the profile of utilizing this novel mindset from machine learning in high energy nuclear physics, to help more interested readers see the breadth of activities around this intersection. The aim of this mini-review is to introduce to the community the current status and report an overview of applying machine learning for high energy nuclear physics, to present from different aspects and examples how scientific questions involved in high energy nuclear physics can be tackled using machine learning., Comment: 30 pages, 20 figures, mini-review

Collective flow has been found similar between small colliding systems (p+p and p+A collisions) and large colliding systems (peripheral A+A collisions) at the CERN Large Hadron Collider (LHC). In order to study the difference of collective flow between small and large colliding systems, we employ a point cloud network to identify $p$ $+$ Pb collisions and peripheral Pb $+$ Pb collisions at $\sqrt{s_{NN}} =$ 5.02 TeV from a multiphase transport model (AMPT). After removing the discrepancies in the pseudorapidity distribution and the $p_{\rm T}$ spectra, we capture the discrepancy in anisotropic flow. Although the verification accuracy of our PCN is limited due to similar event-by-event distributions of elliptic and triangular flow, we demonstrate that collective flow between $p$ $+$ Pb collisions and peripheral Pb $+$ Pb collisions becomes more different with increasing final hadron multiplicity and parton scattering cross section., Comment: 9 pages, 11 figures

In recent years, machine learning has emerged as a powerful computational tool and novel problem-solving perspective for physics, offering new avenues for studying strongly interacting QCD matter properties under extreme conditions. This review article aims to provide an overview of the current state of this intersection of fields, focusing on the application of machine learning to theoretical studies in high energy nuclear physics. It covers diverse aspects, including heavy ion collisions, lattice field theory, and neutron stars, and discuss how machine learning can be used to explore and facilitate the physics goals of understanding QCD matter. The review also provides a commonality overview from a methodology perspective, from data-driven perspective to physics-driven perspective. We conclude by discussing the challenges and future prospects of machine learning applications in high energy nuclear physics, also underscoring the importance of incorporating physics priors into the purely data-driven learning toolbox. This review highlights the critical role of machine learning as a valuable computational paradigm for advancing physics exploration in high energy nuclear physics., Comment: 146 pages,53 figures

This study delves into the connection between machine learning and lattice field theory by linking generative diffusion models (DMs) with stochastic quantization, from a stochastic differential equation perspective. We show that DMs can be conceptualized by reversing a stochastic process driven by the Langevin equation, which then produces samples from an initial distribution to approximate the target distribution. In a toy model, we highlight the capability of DMs to learn effective actions. Furthermore, we demonstrate its feasibility to act as a global sampler for generating configurations in the two-dimensional $\phi^4$ quantum lattice field theory., Comment: 6 pages, 3 figures, accepted at the NeurIPS 2023 workshop "Machine Learning and the Physical Sciences". Some contents overlap with arXiv:2309.17082

Full-field non-contact vibration measurements provide a rich dataset for analysing structural dynamics. However, implementing the identification algorithm directly using high-spatial resolution data can be computationally expensive in modal identification. To address this challenge, performing identification in a shape-preserving but lower-dimensional feature space is more feasible. The full-field mode shapes can then be reconstructed from the identified feature mode shapes. This paper discusses two approaches, namely data-dependent and data-independent, for constructing the feature spaces. The applications of these approaches to modal identification on a curved plate are studied, and their performance is compared. In a case study involving a curved plate, it was found that a spatial data compression ratio as low as 1% could be achieved without compromising the integrity of the shape features essential for a full-field modal. Furthermore, the paper explores the optimal point-wise sensor placement using the feature space. It presents an alternative, data-driven method for optimal sensor placement that eliminates the need for a normal model, which is typically required in conventional approaches. Combining a small number of point-wise sensors with the constructed feature space can accurately reconstruct the full-field response. This approach demonstrates a two-step structural health monitoring (SHM) preparation process: offline full-field identification of the structure and the recommended point-wise sensor placement for online long-term monitoring.

Gravitational Waves (GWs) from coalescing binaries carry crucial information about their component sources, like mass, spin and tidal effects. This implies that the analysis of GW signals from binary neutron star mergers can offer unique opportunities to extract information about the tidal properties of NSs, thereby adding constraints to the NS equation of state. In this work, we use Deep Learning (DL) techniques to overcome the computational challenges confronted in conventional methods of matched-filtering and Bayesian analyses for signal-detection and parameter-estimation. We devise a DL approach to classify GW signals from binary black hole and binary neutron star mergers. We further employ DL to analyze simulated GWs from binary neutron star merger events for parameter estimation, in particular, the regression of mass and tidal deformability of the component objects. The results presented in this work demonstrate the promising potential of DL techniques in GW analysis, paving the way for further advancement in this rapidly evolving field. The proposed approach is an efficient alternative to explore the wealth of information contained within GW signals of binary neutron star mergers, which can further help constrain the NS EoS., Comment: 23 pages, 11 figures

In recent years, machine learning has emerged as a powerful computational tool and novel problem-solving perspective for physics, offering new avenues for studying strongly interacting QCD matter properties under extreme conditions. This review article aims to provide an overview of the current state of this intersection of fields, focusing on the application of machine learning to theoretical studies in high energy nuclear physics. It covers diverse aspects, including heavy ion collisions, lattice field theory, and neutron stars, and discuss how machine learning can be used to explore and facilitate the physics goals of understanding QCD matter. The review also provides a commonality overview from a methodology perspective, from data-driven perspective to physics-driven perspective. We conclude by discussing the challenges and future prospects of machine learning applications in high energy nuclear physics, also underscoring the importance of incorporating physics priors into the purely data-driven learning toolbox. This review highlights the critical role of machine learning as a valuable computational paradigm for advancing physics exploration in high energy nuclear physics., Comment: 152 pages,53 figures

Zhou K, Li S, Du G, et al. Onco Targets Ther. 2019;12:7095–7109. We, the Editors and Publisher of OncoTargets and Therapy, have retracted the published article. Since publication, concerns have been raised about the integrity of the data in the article. This includes the duplication of images in Figure 4 with those from another article. Specifically, The image for Figure 4C, NC mimic, has been duplicated with the image for Figure 3D, si-NC, from Gao R, Feng Q, Tan G. microRNA-613 exerts anti-angiogenic effect on nasopharyngeal carcinoma cells through inactivating the AKT signaling pathway by down-regulating FN1. Biosci Rep. 2019;39(7):BSR20182196. https://doi.org/10.1042/BSR20182196 When approached for an explanation, the authors did not respond to our queries, nor did they provide original data for their study. As verifying the validity of the published work is core to the integrity of the scholarly record, we are therefore retracting the article and the authors were notified of this. We have been informed in our decision-making by our policy on publishing ethics and integrity and the COPE guidelines on retractions. The retracted article will remain online to maintain the scholarly record, but it will be digitally watermarked on each page as ‘Retracted’.

In this work, we establish a direct connection between generative diffusion models (DMs) and stochastic quantization (SQ). The DM is realized by approximating the reversal of a stochastic process dictated by the Langevin equation, generating samples from a prior distribution to effectively mimic the target distribution. Using numerical simulations, we demonstrate that the DM can serve as a global sampler for generating quantum lattice field configurations in two-dimensional $\phi^4$ theory. We demonstrate that DMs can notably reduce autocorrelation times in the Markov chain, especially in the critical region where standard Markov Chain Monte-Carlo (MCMC) algorithms experience critical slowing down. The findings can potentially inspire further advancements in lattice field theory simulations, in particular in cases where it is expensive to generate large ensembles., Comment: 30 pages, 15 figures. The open code can be found at https://github.com/Anguswlx/DMasSQ

A physics-informed neural network (PINN) embedded with the susceptible-infected-removed (SIR) model is devised to understand the temporal evolution dynamics of infectious diseases. Firstly, the effectiveness of this approach is demonstrated on synthetic data as generated from the numerical solution of the susceptible-asymptomatic-infected-recovered-dead (SAIRD) model. Then, the method is applied to COVID-19 data reported for Germany and shows that it can accurately identify and predict virus spread trends. The results indicate that an incomplete physics-informed model can approach more complicated dynamics efficiently. Thus, the present work demonstrates the high potential of using machine learning methods, e.g., PINNs, to study and predict epidemic dynamics in combination with compartmental models., Comment: 23 pages, 14 figures

Linearized Graph Neural Networks (GNNs) have attracted great attention in recent years for graph representation learning. Compared with nonlinear Graph Neural Network (GNN) models, linearized GNNs are much more time-efficient and can achieve comparable performances on typical downstream tasks such as node classification. Although some linearized GNN variants are purposely crafted to mitigate ``over-smoothing", empirical studies demonstrate that they still somehow suffer from this issue. In this paper, we instead relate over-smoothing with the vanishing gradient phenomenon and craft a gradient-free training framework to achieve more efficient and effective linearized GNNs which can significantly overcome over-smoothing and enhance the generalization of the model. The experimental results demonstrate that our methods achieve better and more stable performances on node classification tasks with varying depths and cost much less training time.

Though being seemingly disparate and with relatively new intersection, high energy nuclear physics and machine learning have already begun to merge and yield interesting results during the last few years. It's worthy to raise the profile of utilizing this novel mindset from machine learning in high energy nuclear physics, to help more interested readers see the breadth of activities around this intersection. The aim of this mini-review is to introduce to the community the current status and report an overview of applying machine learning for high energy nuclear physics, to present from different aspects and examples how scientific questions involved in high energy nuclear physics can be tackled using machine learning., Comment: 30 pages, 20 figures, mini-review

In recent years, machine learning has emerged as a powerful computational tool and novel problem-solving perspective for physics, offering new avenues for studying strongly interacting QCD matter properties under extreme conditions. This review article aims to provide an overview of the current state of this intersection of fields, focusing on the application of machine learning to theoretical studies in high energy nuclear physics. It covers diverse aspects, including heavy ion collisions, lattice field theory, and neutron stars, and discuss how machine learning can be used to explore and facilitate the physics goals of understanding QCD matter. The review also provides a commonality overview from a methodology perspective, from data-driven perspective to physics-driven perspective. We conclude by discussing the challenges and future prospects of machine learning applications in high energy nuclear physics, also underscoring the importance of incorporating physics priors into the purely data-driven learning toolbox. This review highlights the critical role of machine learning as a valuable computational paradigm for advancing physics exploration in high energy nuclear physics., Comment: 152 pages,53 figures

Relativistic collision of isobaric systems is found to be valuable in differentiating the nucleon distributions for nuclei with the same mass number. In recent contrast experiment of $^{96}_{44}\text{Ru}+^{96}_{44}\text{Ru}$ versus $^{96}_{40}\text{Zr}+^{96}_{40}\text{Zr}$ collisions at $\sqrt{s_\text{NN}} = 200~\text{GeV}$, the ratios of multiplicity distribution, elliptic flow, triangular flow, and radial flow are precisely measured and found to be significantly different from unity, indicating the difference in the shapes of the isobar pair. In this work, we investigate the feasibility of nuclear structure reconstruction from heavy-ion collision observables. We perform Bayesian Inference with employing the Monte-Carlo Glauber model as an estimator of the mapping from nuclear structure to the final state observables and to provide the mock data for reconstruction. By varying combination of observables included in the mock data, we find it plausible to infer Woods--Saxon parameters from the observables. We also observe that single-system multiplicity distribution for the isobar system, rather than their ratio, is crucial to simultaneously determine the nuclear structure for the isobar system., Comment: Previously entitled "How does Bayesian analysis infer the nucleon distributions in isobar collisions?"

In recent years, machine learning has emerged as a powerful computational tool and novel problem-solving perspective for physics, offering new avenues for studying strongly interacting QCD matter properties under extreme conditions. This review article aims to provide an overview of the current state of this intersection of fields, focusing on the application of machine learning to theoretical studies in high energy nuclear physics. It covers diverse aspects, including heavy ion collisions, lattice field theory, and neutron stars, and discuss how machine learning can be used to explore and facilitate the physics goals of understanding QCD matter. The review also provides a commonality overview from a methodology perspective, from data-driven perspective to physics-driven perspective. We conclude by discussing the challenges and future prospects of machine learning applications in high energy nuclear physics, also underscoring the importance of incorporating physics priors into the purely data-driven learning toolbox. This review highlights the critical role of machine learning as a valuable computational paradigm for advancing physics exploration in high energy nuclear physics., Comment: 152 pages,53 figures

Given the urgency to reduce fossil fuel energy production to make climate tipping points less likely, we call for resource-aware knowledge gain in the research areas on Universe and Matter with emphasis on the digital transformation. A portfolio of measures is described in detail and then summarized according to the timescales required for their implementation. The measures will both contribute to sustainable research and accelerate scientific progress through increased awareness of resource usage. This work is based on a three-days workshop on sustainability in digital transformation held in May 2023., Comment: 20 pages, 2 figures, publication following workshop 'Sustainability in the Digital Transformation of Basic Research on Universe & Matter', 30 May to 2 June 2023, Meinerzhagen, Germany, https://indico.desy.de/event/37480

Graph Neural Networks (GNNs) have become widely used in the field of graph mining. However, these networks are vulnerable to structural perturbations. While many research efforts have focused on analyzing vulnerability through poisoning attacks, we have identified an inefficiency in current attack losses. These losses steer the attack strategy towards modifying edges targeting misclassified nodes or resilient nodes, resulting in a waste of structural adversarial perturbation. To address this issue, we propose a novel attack loss framework called the Cost Aware Poisoning Attack (CA-attack) to improve the allocation of the attack budget by dynamically considering the classification margins of nodes. Specifically, it prioritizes nodes with smaller positive margins while postponing nodes with negative margins. Our experiments demonstrate that the proposed CA-attack significantly enhances existing attack strategies

Deep Graph Learning (DGL) has emerged as a crucial technique across various domains. However, recent studies have exposed vulnerabilities in DGL models, such as susceptibility to evasion and poisoning attacks. While empirical and provable robustness techniques have been developed to defend against graph modification attacks (GMAs), the problem of certified robustness against graph injection attacks (GIAs) remains largely unexplored. To bridge this gap, we introduce the node-aware bi-smoothing framework, which is the first certifiably robust approach for general node classification tasks against GIAs. Notably, the proposed node-aware bi-smoothing scheme is model-agnostic and is applicable for both evasion and poisoning attacks. Through rigorous theoretical analysis, we establish the certifiable conditions of our smoothing scheme. We also explore the practical implications of our node-aware bi-smoothing schemes in two contexts: as an empirical defense approach against real-world GIAs and in the context of recommendation systems. Furthermore, we extend two state-of-the-art certified robustness frameworks to address node injection attacks and compare our approach against them. Extensive evaluations demonstrate the effectiveness of our proposed certificates.

The Optimal Power Flow (OPF) problem is pivotal for power system operations, guiding generator output and power distribution to meet demand at minimized costs, while adhering to physical and engineering constraints. The integration of renewable energy sources, like wind and solar, however, poses challenges due to their inherent variability. This variability, driven largely by changing weather conditions, demands frequent recalibrations of power settings, thus necessitating recurrent OPF resolutions. This task is daunting using traditional numerical methods, particularly for extensive power systems. In this work, we present a cutting-edge, physics-informed machine learning methodology, trained using imitation learning and historical European weather datasets. Our approach directly correlates electricity demand and weather patterns with power dispatch and generation, circumventing the iterative requirements of traditional OPF solvers. This offers a more expedient solution apt for real-time applications. Rigorous evaluations on aggregated European power systems validate our method's superiority over existing data-driven techniques in OPF solving. By presenting a quick, robust, and efficient solution, this research sets a new standard in real-time OPF resolution, paving the way for more resilient power systems in the era of renewable energy., Comment: Submitted to Elsevier

This study delves into the connection between machine learning and lattice field theory by linking generative diffusion models (DMs) with stochastic quantization, from a stochastic differential equation perspective. We show that DMs can be conceptualized by reversing a stochastic process driven by the Langevin equation, which then produces samples from an initial distribution to approximate the target distribution. In a toy model, we highlight the capability of DMs to learn effective actions. Furthermore, we demonstrate its feasibility to act as a global sampler for generating configurations in the two-dimensional $\phi^4$ quantum lattice field theory., Comment: 6 pages, 3 figures, accepted at the NeurIPS 2023 workshop "Machine Learning and the Physical Sciences". Some contents overlap with arXiv:2309.17082

In this work, we establish a direct connection between generative diffusion models (DMs) and stochastic quantization (SQ). The DM is realized by approximating the reversal of a stochastic process dictated by the Langevin equation, generating samples from a prior distribution to effectively mimic the target distribution. Using numerical simulations, we demonstrate that the DM can serve as a global sampler for generating quantum lattice field configurations in two-dimensional $\phi^4$ theory. We demonstrate that DMs can notably reduce autocorrelation times in the Markov chain, especially in the critical region where standard Markov Chain Monte-Carlo (MCMC) algorithms experience critical slowing down. The findings can potentially inspire further advancements in lattice field theory simulations, in particular in cases where it is expensive to generate large ensembles., Comment: 30 pages, 15 figures. The open code can be found at https://github.com/Anguswlx/DMasSQ

Signed graphs are well-suited for modeling social networks as they capture both positive and negative relationships. Signed graph neural networks (SGNNs) are commonly employed to predict link signs (i.e., positive and negative) in such graphs due to their ability to handle the unique structure of signed graphs. However, real-world signed graphs are vulnerable to malicious attacks by manipulating edge relationships, and existing adversarial graph attack methods do not consider the specific structure of signed graphs. SGNNs often incorporate balance theory to effectively model the positive and negative links. Surprisingly, we find that the balance theory that they rely on can ironically be exploited as a black-box attack. In this paper, we propose a novel black-box attack called balance-attack that aims to decrease the balance degree of the signed graphs. We present an efficient heuristic algorithm to solve this NP-hard optimization problem. We conduct extensive experiments on five popular SGNN models and four real-world datasets to demonstrate the effectiveness and wide applicability of our proposed attack method. By addressing these challenges, our research contributes to a better understanding of the limitations and resilience of robust models when facing attacks on SGNNs. This work contributes to enhancing the security and reliability of signed graph analysis in social network modeling. Our PyTorch implementation of the attack is publicly available on GitHub: https://github.com/JialongZhou666/Balance-Attack.git.

Graph anomaly detection (GAD) has achieved success and has been widely applied in various domains, such as fraud detection, cybersecurity, finance security, and biochemistry. However, existing graph anomaly detection algorithms focus on distinguishing individual entities (nodes or graphs) and overlook the possibility of anomalous groups within the graph. To address this limitation, this paper introduces a novel unsupervised framework for a new task called Group-level Graph Anomaly Detection (Gr-GAD). The proposed framework first employs a variant of Graph AutoEncoder (GAE) to locate anchor nodes that belong to potential anomaly groups by capturing long-range inconsistencies. Subsequently, group sampling is employed to sample candidate groups, which are then fed into the proposed Topology Pattern-based Graph Contrastive Learning (TPGCL) method. TPGCL utilizes the topology patterns of groups as clues to generate embeddings for each candidate group and thus distinct anomaly groups. The experimental results on both real-world and synthetic datasets demonstrate that the proposed framework shows superior performance in identifying and localizing anomaly groups, highlighting it as a promising solution for Gr-GAD. Datasets and codes of the proposed framework are at the github repository https://anonymous.4open.science/r/Topology-Pattern-Enhanced-Unsupervised-Group-level-Graph-Anomaly-Detection.

Random Walks-based Anomaly Detection (RWAD) is commonly used to identify anomalous patterns in various applications. An intriguing characteristic of RWAD is that the input graph can either be pre-existing or constructed from raw features. Consequently, there are two potential attack surfaces against RWAD: graph-space attacks and feature-space attacks. In this paper, we explore this vulnerability by designing practical coupled-space attacks, investigating the interplay between graph-space and feature-space attacks. To this end, we conduct a thorough complexity analysis, proving that attacking RWAD is NP-hard. Then, we proceed to formulate the graph-space attack as a bi-level optimization problem and propose two strategies to solve it: alternative iteration (alterI-attack) or utilizing the closed-form solution of the random walk model (cf-attack). Finally, we utilize the results from the graph-space attacks as guidance to design more powerful feature-space attacks (i.e., graph-guided attacks). Comprehensive experiments demonstrate that our proposed attacks are effective in enabling the target nodes from RWAD with a limited attack budget. In addition, we conduct transfer attack experiments in a black-box setting, which show that our feature attack significantly decreases the anomaly scores of target nodes. Our study opens the door to studying the coupled-space attack against graph anomaly detection in which the graph space relies on the feature space., Comment: 13 pages

We investigate adversarial robustness of unsupervised Graph Contrastive Learning (GCL) against structural attacks. First, we provide a comprehensive empirical and theoretical analysis of existing attacks, revealing how and why they downgrade the performance of GCL. Inspired by our analytic results, we present a robust GCL framework that integrates a homophily-driven sanitation view, which can be learned jointly with contrastive learning. A key challenge this poses, however, is the non-differentiable nature of the sanitation objective. To address this challenge, we propose a series of techniques to enable gradient-based end-to-end robust GCL. Moreover, we develop a fully unsupervised hyperparameter tuning method which, unlike prior approaches, does not require knowledge of node labels. We conduct extensive experiments to evaluate the performance of our proposed model, GCHS (Graph Contrastive Learning with Homophily-driven Sanitation View), against two state of the art structural attacks on GCL. Our results demonstrate that GCHS consistently outperforms all state of the art baselines in terms of the quality of generated node embeddings as well as performance on two important downstream tasks.

As an alternative but unified and more fundamental description for quantum physics, Feynman path integrals generalize the classical action principle to a probabilistic perspective, under which the physical observables' estimation translates into a weighted sum over all possible paths. The underlying difficulty is to tackle the whole path manifold from finite samples that can effectively represent the Feynman propagator dictated probability distribution. Modern generative models in machine learning can handle learning and representing probability distribution with high computational efficiency. In this study, we propose a Fourier-flow generative model to simulate the Feynman propagator and generate paths for quantum systems. As demonstration, we validate the path generator on the harmonic and anharmonic oscillators. The latter is a double-well system without analytic solutions. To preserve the periodic condition for the system, the Fourier transformation is introduced into the flow model to approach a Matsubara representation. With this novel development, the ground-state wave function and low-lying energy levels are estimated accurately. Our method offers a new avenue to investigate quantum systems with machine learning assisted Feynman Path integral solving.

The equation of state (EoS) of the strongly interacting cold and ultra-dense matter remains a major challenge in the field of nuclear physics. With the advancements in measurements of neutron star masses, radii, and tidal deformabilities from electromagnetic and gravitational wave observations, neutron stars play an important role in constraining the ultra-dense matter EoS. In this work, we present a novel method that exploits deep learning techniques to reconstruct the neutron star EoS from mass-radius (M-R) observations. We employ neural networks (NNs) to represent the EoS in a model-independent way, within the range of 1-7.4 times the nuclear saturation density. In an unsupervised manner, we implement the Automatic Differentiation (AD) framework to optimize the EoS, as to yield through TOV equations an M-R curve that best fits the observations. We demonstrate it in rebuilding the EoS on mock data, i.e., mass-radius pairs derived from a generated set of polytropic EoSs. The results show that it is possible to reconstruct the EoS with reasonable accuracy, using just 11 mock M-R pairs observations, which is close to the current number of observations., Comment: 12 pages, 11 figures

Reconstructing hadron spectral functions through Euclidean correlation functions are of the important missions in lattice QCD calculations. However, in a K\"allen--Lehmann(KL) spectral representation, the reconstruction is observed to be ill-posed in practice. It is usually ascribed to the fewer observation points compared to the number of points in the spectral function. In this paper, by solving the eigenvalue problem of continuous KL convolution, we show analytically that the ill-posedness of the inversion is fundamental and it exists even for continuous correlation functions. We discussed how to introduce regulators to alleviate the predicament, in which include the Artificial Neural Networks(ANNs) representations recently proposed by the Authors in [arXiv:2111.14760]. The uniqueness of solutions using ANNs representations is manifested analytically and validated numerically. Reconstructed spectral functions using different regularization schemes are also demonstrated, together with their eigen-mode decomposition. We observe that components with large eigenvalues can be reliably reconstructed by all methods, whereas those with low eigenvalues need to be constrained by regulators., Comment: 29 pages, 6 figures

Reconstructing hadron spectral functions through Euclidean correlation functions are of the important missions in lattice QCD calculations. However, in a K\"allen--Lehmann(KL) spectral representation, the reconstruction is observed to be ill-posed in practice. It is usually ascribed to the fewer observation points compared to the number of points in the spectral function. In this paper, by solving the eigenvalue problem of continuous KL convolution, we show analytically that the ill-posedness of the inversion is fundamental and it exists even for continuous correlation functions. We discussed how to introduce regulators to alleviate the predicament, in which include the Artificial Neural Networks(ANNs) representations recently proposed by the Authors in [arXiv:2111.14760]. The uniqueness of solutions using ANNs representations is manifested analytically and validated numerically. Reconstructed spectral functions using different regularization schemes are also demonstrated, together with their eigen-mode decomposition. We observe that components with large eigenvalues can be reliably reconstructed by all methods, whereas those with low eigenvalues need to be constrained by regulators., Comment: 29 pages, 6 figures

The equation of state (EoS) of the strongly interacting cold and ultra-dense matter remains a major challenge in the field of nuclear physics. With the advancements in measurements of neutron star masses, radii, and tidal deformabilities from electromagnetic and gravitational wave observations, neutron stars play an important role in constraining the ultra-dense matter EoS. In this work, we present a novel method that exploits deep learning techniques to reconstruct the neutron star EoS from mass-radius (M-R) observations. We employ neural networks (NNs) to represent the EoS in a model-independent way, within the range of 1-7.4 times the nuclear saturation density. In an unsupervised manner, we implement the Automatic Differentiation (AD) framework to optimize the EoS, as to yield through TOV equations an M-R curve that best fits the observations. We demonstrate it in rebuilding the EoS on mock data, i.e., mass-radius pairs derived from a generated set of polytropic EoSs. The results show that it is possible to reconstruct the EoS with reasonable accuracy, using just 11 mock M-R pairs observations, which is close to the current number of observations., Comment: 12 pages, 11 figures

Background Fluorescent reporter labeling and promoter-driven Cre-recombinant technologies have facilitated cellular investigations of physiological and pathological processes, including the widespread use of the Cx3cr1(CreER-Eyfp/wt) mouse strain for studies of microglia. Methods Immunohistochemistry, Flow Cytometry, RNA sequencing and whole-genome sequencing were used to identify the subpopulation of microglia in Cx3cr1(CreER-Eyfp/wt) mouse brains. Genetically mediated microglia depletion using Cx3cr1(CreER-Eyfp/wt)Rosa26(DTA/wt) mice and CSF1 receptor inhibitor PLX3397 were used to deplete microglia. Primary microglia proliferation and migration assay were used for in vitro studies. Results We unexpectedly identified a subpopulation of microglia devoid of genetic modification, exhibiting higher Cx3cr1 and CX3CR1 expression than Cx3cr1(CreER-Eyfp/wt)Cre(+)Eyfp(+) microglia in Cx3cr1(CreER-Eyfp/wt) mouse brains, thus termed Cx3cr1(high)Cre(-)Eyfp(-) microglia. This subpopulation constituted less than 1% of all microglia under homeostatic conditions, but after Cre-driven DTA-mediated microglial depletion, Cx3cr1(high)Cre(-)Eyfp(-) microglia escaped depletion and proliferated extensively, eventually occupying one-third of the total microglial pool. We further demonstrated that the Cx3cr1(high)Cre(-)Eyfp(-) microglia had lost their genetic heterozygosity and become homozygous for wild-type Cx3cr1. Therefore, Cx3cr1(high)Cre(-)Eyfp(-) microglia are Cx3cr1(wt/wt)Cre(-)Eyfp(-). Finally, we demonstrated that CX3CL1-CX3CR1 signaling regulates microglial repopulation both in vivo and in vitro. Conclusions Our results raise a cautionary note regarding the use of Cx3cr1(CreER-Eyfp/wt) mouse strains, particularly when interpreting the results of fate mapping, and microglial depletion and repopulation studies.

Background Fluorescent reporter labeling and promoter-driven Cre-recombinant technologies have facilitated cellular investigations of physiological and pathological processes, including the widespread use of the Cx3cr1(CreER-Eyfp/wt) mouse strain for studies of microglia. Methods Immunohistochemistry, Flow Cytometry, RNA sequencing and whole-genome sequencing were used to identify the subpopulation of microglia in Cx3cr1(CreER-Eyfp/wt) mouse brains. Genetically mediated microglia depletion using Cx3cr1(CreER-Eyfp/wt)Rosa26(DTA/wt) mice and CSF1 receptor inhibitor PLX3397 were used to deplete microglia. Primary microglia proliferation and migration assay were used for in vitro studies. Results We unexpectedly identified a subpopulation of microglia devoid of genetic modification, exhibiting higher Cx3cr1 and CX3CR1 expression than Cx3cr1(CreER-Eyfp/wt)Cre(+)Eyfp(+) microglia in Cx3cr1(CreER-Eyfp/wt) mouse brains, thus termed Cx3cr1(high)Cre(-)Eyfp(-) microglia. This subpopulation constituted less than 1% of all microglia under homeostatic conditions, but after Cre-driven DTA-mediated microglial depletion, Cx3cr1(high)Cre(-)Eyfp(-) microglia escaped depletion and proliferated extensively, eventually occupying one-third of the total microglial pool. We further demonstrated that the Cx3cr1(high)Cre(-)Eyfp(-) microglia had lost their genetic heterozygosity and become homozygous for wild-type Cx3cr1. Therefore, Cx3cr1(high)Cre(-)Eyfp(-) microglia are Cx3cr1(wt/wt)Cre(-)Eyfp(-). Finally, we demonstrated that CX3CL1-CX3CR1 signaling regulates microglial repopulation both in vivo and in vitro. Conclusions Our results raise a cautionary note regarding the use of Cx3cr1(CreER-Eyfp/wt) mouse strains, particularly when interpreting the results of fate mapping, and microglial depletion and repopulation studies.

Background Fluorescent reporter labeling and promoter-driven Cre-recombinant technologies have facilitated cellular investigations of physiological and pathological processes, including the widespread use of the Cx3cr1(CreER-Eyfp/wt) mouse strain for studies of microglia. Methods Immunohistochemistry, Flow Cytometry, RNA sequencing and whole-genome sequencing were used to identify the subpopulation of microglia in Cx3cr1(CreER-Eyfp/wt) mouse brains. Genetically mediated microglia depletion using Cx3cr1(CreER-Eyfp/wt)Rosa26(DTA/wt) mice and CSF1 receptor inhibitor PLX3397 were used to deplete microglia. Primary microglia proliferation and migration assay were used for in vitro studies. Results We unexpectedly identified a subpopulation of microglia devoid of genetic modification, exhibiting higher Cx3cr1 and CX3CR1 expression than Cx3cr1(CreER-Eyfp/wt)Cre(+)Eyfp(+) microglia in Cx3cr1(CreER-Eyfp/wt) mouse brains, thus termed Cx3cr1(high)Cre(-)Eyfp(-) microglia. This subpopulation constituted less than 1% of all microglia under homeostatic conditions, but after Cre-driven DTA-mediated microglial depletion, Cx3cr1(high)Cre(-)Eyfp(-) microglia escaped depletion and proliferated extensively, eventually occupying one-third of the total microglial pool. We further demonstrated that the Cx3cr1(high)Cre(-)Eyfp(-) microglia had lost their genetic heterozygosity and become homozygous for wild-type Cx3cr1. Therefore, Cx3cr1(high)Cre(-)Eyfp(-) microglia are Cx3cr1(wt/wt)Cre(-)Eyfp(-). Finally, we demonstrated that CX3CL1-CX3CR1 signaling regulates microglial repopulation both in vivo and in vitro. Conclusions Our results raise a cautionary note regarding the use of Cx3cr1(CreER-Eyfp/wt) mouse strains, particularly when interpreting the results of fate mapping, and microglial depletion and repopulation studies.

As an alternative but unified and more fundamental description for quantum physics, Feynman path integrals generalize the classical action principle to a probabilistic perspective, under which the physical observables' estimation translates into a weighted sum over all possible paths. The underlying difficulty is to tackle the whole path manifold from finite samples that can effectively represent the Feynman propagator dictated probability distribution. Modern generative models in machine learning can handle learning and representing probability distribution with high computational efficiency. In this study, we propose a Fourier-flow generative model to simulate the Feynman propagator and generate paths for quantum systems. As demonstration, we validate the path generator on the harmonic and anharmonic oscillators. The latter is a double-well system without analytic solutions. To preserve the periodic condition for the system, the Fourier transformation is introduced into the flow model to approach a Matsubara representation. With this novel development, the ground-state wave function and low-lying energy levels are estimated accurately. Our method offers a new avenue to investigate quantum systems with machine learning assisted Feynman Path integral solving.

Bayesian methods are used to constrain the density dependence of the QCD Equation of State (EoS) for dense nuclear matter using the data of mean transverse kinetic energy and elliptic flow of protons from heavy ion collisions (HIC), in the beam energy range $\sqrt{s_{\mathrm{NN}}}=2-10 GeV$. The analysis yields tight constraints on the density dependent EoS up to 4 times the nuclear saturation density. The extracted EoS yields good agreement with other observables measured in HIC experiments and constraints from astrophysical observations both of which were not used in the inference. The sensitivity of inference to the choice of observables is also discussed., Comment: 10 pages, 10 figures, minor corrections

As an alternative but unified and more fundamental description for quantum physics, Feynman path integrals generalize the classical action principle to a probabilistic perspective, under which the physical observables' estimation translates into a weighted sum over all possible paths. The underlying difficulty is to tackle the whole path manifold from finite samples that can effectively represent the Feynman propagator dictated probability distribution. Modern generative models in machine learning can handle learning and representing probability distribution with high computational efficiency. In this study, we propose a Fourier-flow generative model to simulate the Feynman propagator and generate paths for quantum systems. As demonstration, we validate the path generator on the harmonic and anharmonic oscillators. The latter is a double-well system without analytic solutions. To preserve the periodic condition for the system, the Fourier transformation is introduced into the flow model to approach a Matsubara representation. With this novel development, the ground-state wave function and low-lying energy levels are estimated accurately. Our method offers a new avenue to investigate quantum systems with machine learning assisted Feynman Path integral solving.

We present lattice QCD calculations of valence parton distribution function (PDF) of pion employing next-to-next-leading-order (NNLO) perturbative QCD matching. Our calculations are based on three gauge ensembles of 2+1 flavor highly improved staggered quarks and Wilson--Clover valance quarks, corresponding to pion mass $m_\pi=140$~MeV at a lattice spacing $a=0.076$~fm and $m_\pi=300$~MeV at $a=0.04, 0.06$~fm. This enables us to present, for the first time, continuum-extrapolated lattice QCD results for NNLO valence PDF of the pion at the physical point. Applying leading-twist expansion for renormalization group invariant (RGI) ratios of bi-local pion matrix elements with NNLO Wilson coefficients we extract $2^{\mathrm{nd}}$, $4^{\mathrm{th}}$ and $6^{\mathrm{th}}$ Mellin moments of the PDF. We reconstruct the Bjorken-$x$ dependence of the NNLO PDF from real-space RGI ratios using a deep neural network (DNN) as well as from momentum-space matrix elements renormalized using a hybrid-scheme. All our results are in broad agreement with the results of global fits to the experimental data carried out by the xFitter and JAM collaborations., Comment: 25 pages, 29 figures, version published in PRD

Bayesian methods are used to constrain the density dependence of the QCD Equation of State (EoS) for dense nuclear matter using the data of mean transverse kinetic energy and elliptic flow of protons from heavy ion collisions (HIC), in the beam energy range $\sqrt{s_{\mathrm{NN}}}=2-10 GeV$. The analysis yields tight constraints on the density dependent EoS up to 4 times the nuclear saturation density. The extracted EoS yields good agreement with other observables measured in HIC experiments and constraints from astrophysical observations both of which were not used in the inference. The sensitivity of inference to the choice of observables is also discussed., Comment: 10 pages, 10 figures, minor corrections

We present lattice QCD calculations of valence parton distribution function (PDF) of pion employing next-to-next-leading-order (NNLO) perturbative QCD matching. Our calculations are based on three gauge ensembles of 2+1 flavor highly improved staggered quarks and Wilson--Clover valance quarks, corresponding to pion mass $m_\pi=140$~MeV at a lattice spacing $a=0.076$~fm and $m_\pi=300$~MeV at $a=0.04, 0.06$~fm. This enables us to present, for the first time, continuum-extrapolated lattice QCD results for NNLO valence PDF of the pion at the physical point. Applying leading-twist expansion for renormalization group invariant (RGI) ratios of bi-local pion matrix elements with NNLO Wilson coefficients we extract $2^{\mathrm{nd}}$, $4^{\mathrm{th}}$ and $6^{\mathrm{th}}$ Mellin moments of the PDF. We reconstruct the Bjorken-$x$ dependence of the NNLO PDF from real-space RGI ratios using a deep neural network (DNN) as well as from momentum-space matrix elements renormalized using a hybrid-scheme. All our results are in broad agreement with the results of global fits to the experimental data carried out by the xFitter and JAM collaborations., Comment: 25 pages, 29 figures, version published in PRD