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.
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.
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 $φ^4$ 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.
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 $φ^4$ quantum lattice field theory.
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.
Gert Aarts, Kenji Fukushima, Tetsuo Hatsuda et al.
The integration of deep learning techniques and physics-driven designs is reforming the way we address inverse problems, in which accurate physical properties are extracted from complex data sets. This is particularly relevant for quantum chromodynamics (QCD), the theory of strong interactions, with its inherent limitations in observational data and demanding computational approaches. This perspective highlights advances and potential of physics-driven learning methods, focusing on predictions of physical quantities towards QCD physics, and drawing connections to machine learning(ML). It is shown that the fusion of ML and physics can lead to more efficient and reliable problem-solving strategies. Key ideas of ML, methodology of embedding physics priors, and generative models as inverse modelling of physical probability distributions are introduced. Specific applications cover first-principle lattice calculations, and QCD physics of hadrons, neutron stars, and heavy-ion collisions. These examples provide a structured and concise overview of how incorporating prior knowledge such as symmetry, continuity and equations into deep learning designs can address diverse inverse problems across different physical sciences.
To analyse how diffusion models learn correlations beyond Gaussian ones, we study the behaviour of higher-order cumulants, or connected n-point functions, under both the forward and backward process. We derive explicit expressions for the moment- and cumulant-generating functionals, in terms of the distribution of the initial data and properties of forward process. It is shown analytically that during the forward process higher-order cumulants are conserved in models without a drift, such as the variance-expanding scheme, and that therefore the endpoint of the forward process maintains nontrivial correlations. We demonstrate that since these correlations are encoded in the score function, higher-order cumulants are learnt in the backward process, also when starting from a normal prior. We confirm our analytical results in an exactly solvable toy model with nonzero cumulants and in scalar lattice field theory.
Fault intensity diagnosis (FID) plays a pivotal role in monitoring and maintaining mechanical devices within complex industrial systems. As current FID methods are based on chain of thought without considering dependencies among target classes. To capture and explore dependencies, we propose a hierarchical knowledge guided fault intensity diagnosis framework (HKG) inspired by the tree of thought, which is amenable to any representation learning methods. The HKG uses graph convolutional networks to map the hierarchical topological graph of class representations into a set of interdependent global hierarchical classifiers, where each node is denoted by word embeddings of a class. These global hierarchical classifiers are applied to learned deep features extracted by representation learning, allowing the entire model to be end-to-end learnable. In addition, we develop a re-weighted hierarchical knowledge correlation matrix (Re-HKCM) scheme by embedding inter-class hierarchical knowledge into a data-driven statistical correlation matrix (SCM) which effectively guides the information sharing of nodes in graphical convolutional neural networks and avoids over-smoothing issues. The Re-HKCM is derived from the SCM through a series of mathematical transformations. Extensive experiments are performed on four real-world datasets from different industrial domains (three cavitation datasets from SAMSON AG and one existing publicly) for FID, all showing superior results and outperform recent state-of-the-art FID methods.
We develop diffusion models for simulating lattice gauge theories, where stochastic quantization is explicitly incorporated as a physical condition for sampling. We demonstrate the applicability of this novel sampler to U(1) gauge theory in two spacetime dimensions and find that a model trained at a small inverse coupling constant can be extrapolated to larger inverse coupling regions without encountering the topological freezing problem. Additionally, the trained model can be employed to sample configurations on different lattice sizes without requiring further training. The exactness of the generated samples is ensured by incorporating Metropolis-adjusted Langevin dynamics into the generation process. Furthermore, we demonstrate that this approach enables more efficient sampling of topological quantities compared to traditional algorithms such as Hybrid Monte Carlo and Langevin simulations.
The probability distribution effectively sampled by a complex Langevin process for theories with a sign problem is not known a priori and notoriously hard to understand. Diffusion models, a class of generative AI, can learn distributions from data. In this contribution, we explore the ability of diffusion models to learn the distributions created by a complex Langevin process.
Theories with a sign problem due to a complex action or Boltzmann weight can sometimes be numerically solved using a stochastic process in the complexified configuration space. However, the probability distribution effectively sampled by this complex Langevin process is not known a priori and notoriously hard to understand. In generative AI, diffusion models can learn distributions, or their log derivatives, from data. We explore the ability of diffusion models to learn the distributions sampled by a complex Langevin process, comparing score-based and energy-based diffusion models, and speculate about possible applications.
Shuai Han, Lukas Stelz, Thomas R. Sokolowski et al.
Accurate epidemic forecasting is crucial for effective disease control and prevention. Traditional compartmental models often struggle to estimate temporally and spatially varying epidemiological parameters, while deep learning models typically overlook disease transmission dynamics and lack interpretability in the epidemiological context. To address these limitations, we propose a novel Causal Spatiotemporal Graph Neural Network (CSTGNN), a hybrid framework that integrates a Spatio-Contact SIR model with Graph Neural Networks (GNNs) to capture the spatiotemporal propagation of epidemics. Inter-regional human mobility exhibits continuous and smooth spatiotemporal patterns, leading to adjacent graph structures that share underlying mobility dynamics. To model these dynamics, we employ an adaptive static connectivity graph to represent the stable components of human mobility and utilize a temporal dynamics model to capture fluctuations within these patterns. By integrating the adaptive static connectivity graph with the temporal dynamics graph, we construct a dynamic graph that encapsulates the comprehensive properties of human mobility networks. Additionally, to capture temporal trends and variations in infectious disease spread, we introduce a temporal decomposition model to handle temporal dependence. This model is then integrated with a dynamic graph convolutional network for epidemic forecasting. We validate our model using real-world datasets at the provincial level in China and the state level in Germany. Extensive studies demonstrate that our method effectively models the spatiotemporal dynamics of infectious diseases, providing a valuable tool for forecasting and intervention strategies. Furthermore, analysis of the learned parameters offers insights into disease transmission mechanisms, enhancing the interpretability and practical applicability of our model.
Language-empowered foundation models (LeFMs), such as CLIP and GraphCLIP, have transformed multimodal learning by aligning visual (or graph) features with textual representations, enabling powerful downstream capabilities like few-shot learning. However, the reliance on small, task-specific support datasets collected in open environments exposes these models to poisoning attacks, where adversaries manipulate the support samples to degrade performance. Existing defenses rely on empirical strategies, which lack formal guarantees and remain vulnerable to unseen and adaptive attacks. Certified robustness offers provable guarantees but has been largely unexplored for few-shot classifiers based on LeFMs. This study seeks to fill these critical gaps by proposing the first provably robust few-shot classifier that is tailored for LeFMs. We term our model Language-empowered Few-shot Certification (\textbf{LeFCert}). It integrates both textual and feature embeddings with an adaptive blending mechanism. To achieve provable robustness, we propose a twofold trimmed mean prototype and derive provable upper and lower bounds for classification scores, enabling certification under worst-case poisoning scenarios. To further enhance the performance, we extend LeFCert with two variants by considering a more realistic and tighter attack budget: LeFCert-L incorporates randomized smoothing to provide Lipschitz continuity and derive robustness under dual budget constraints, and LeFCert-C provides collective certification for scenarios where attackers distribute a shared poisoning budget across multiple samples. Experiments demonstrate that LeFCert achieves state-of-the-art performance, significantly improving both clean and certified accuracy compared to existing baselines. Despite its advanced robustness mechanisms, LeFCert is computationally efficient, making it practical for real-world applications.
Decentralized Finance (DeFi) attacks have resulted in significant losses, often orchestrated through Adversarial Exploiter Contracts (AECs) that exploit vulnerabilities in victim smart contracts. To proactively identify such threats, this paper targets the explainable detection of AECs. Existing detection methods struggle to capture semantic dependencies and lack interpretability, limiting their effectiveness and leaving critical knowledge gaps in AEC analysis. To address these challenges, we introduce SEASONED, an effective, self-explanatory, and robust framework for AEC detection. SEASONED extracts semantic information from contract bytecode to construct a semantic relation graph (SRG), and employs a self-counterfactual explainable detector (SCFED) to classify SRGs and generate explanations that highlight the core attack logic. SCFED further enhances robustness, generalizability, and data efficiency by extracting representative information from these explanations. Both theoretical analysis and experimental results demonstrate the effectiveness of SEASONED, which showcases outstanding detection performance, robustness, generalizability, and data efficiency learning ability. To support further research, we also release a new dataset of 359 AECs.
Anomalous sound detection (ASD) is one of the most significant tasks of mechanical equipment monitoring and maintaining in complex industrial systems. In practice, it is vital to precisely identify abnormal status of the working mechanical system, which can further facilitate the failure troubleshooting. In this paper, we propose a multi-pattern adversarial learning one-class classification framework, which allows us to use both the generator and the discriminator of an adversarial model for efficient ASD. The core idea is learning to reconstruct the normal patterns of acoustic data through two different patterns of auto-encoding generators, which succeeds in extending the fundamental role of a discriminator from identifying real and fake data to distinguishing between regional and local pattern reconstructions. Furthermore, we present a global filter layer for long-term interactions in the frequency domain space, which directly learns from the original data without introducing any human priors. Extensive experiments performed on four real-world datasets from different industrial domains (three cavitation datasets provided by SAMSON AG, and one existing publicly) for anomaly detection show superior results, and outperform recent state-of-the-art ASD methods.
Valves are widely used in industrial and domestic pipeline systems. However, during their operation, they may suffer from the occurrence of the cavitation, which can cause loud noise, vibration and damage to the internal components of the valve. Therefore, monitoring the flow status inside valves is significantly beneficial to prevent the additional cost induced by cavitation. In this paper, a novel acoustic signal cavitation detection framework--based on XGBoost with adaptive selection feature engineering--is proposed. Firstly, a data augmentation method with non-overlapping sliding window (NOSW) is developed to solve small-sample problem involved in this study. Then, the each segmented piece of time-domain acoustic signal is transformed by fast Fourier transform (FFT) and its statistical features are extracted to be the input to the adaptive selection feature engineering (ASFE) procedure, where the adaptive feature aggregation and feature crosses are performed. Finally, with the selected features the XGBoost algorithm is trained for cavitation detection and tested on valve acoustic signal data provided by Samson AG (Frankfurt). Our method has achieved state-of-the-art results. The prediction performance on the binary classification (cavitation and no-cavitation) and the four-class classification (cavitation choked flow, constant cavitation, incipient cavitation and no-cavitation) are satisfactory and outperform the traditional XGBoost by 4.67% and 11.11% increase of the accuracy.
As an important application form of immersive multimedia services, free-viewpoint video(FVV) enables users with great immersive experience by strong interaction. However, the computational complexity of virtual view synthesis algorithms poses a significant challenge to the real-time performance of an FVV system. Furthermore, the individuality of user interaction makes it difficult to serve multiple users simultaneously for a system with conventional architecture. In this paper, we novelly introduce a CNN-based view interpolation algorithm to synthesis dense virtual views in real time. Based on this, we also build an end-to-end live free-viewpoint system with a multi-user oriented streaming strategy. Our system can utilize a single edge server to serve multiple users at the same time without having to bring a large view synthesis load on the client side. We analyze the whole system and show that our approaches give the user a pleasant immersive experience, in terms of both visual quality and latency.
We introduce a Python package that provides simply and unified access to a collection of datasets from fundamental physics research - including particle physics, astroparticle physics, and hadron- and nuclear physics - for supervised machine learning studies. The datasets contain hadronic top quarks, cosmic-ray induced air showers, phase transitions in hadronic matter, and generator-level histories. While public datasets from multiple fundamental physics disciplines already exist, the common interface and provided reference models simplify future work on cross-disciplinary machine learning and transfer learning in fundamental physics. We discuss the design and structure and line out how additional datasets can be submitted for inclusion. As showcase application, we present a simple yet flexible graph-based neural network architecture that can easily be applied to a wide range of supervised learning tasks. We show that our approach reaches performance close to dedicated methods on all datasets. To simplify adaptation for various problems, we provide easy-to-follow instructions on how graph-based representations of data structures, relevant for fundamental physics, can be constructed and provide code implementations for several of them. Implementations are also provided for our proposed method and all reference algorithms.
Graph-based Anomaly Detection (GAD) is becoming prevalent due to the powerful representation abilities of graphs as well as recent advances in graph mining techniques. These GAD tools, however, expose a new attacking surface, ironically due to their unique advantage of being able to exploit the relations among data. That is, attackers now can manipulate those relations (i.e., the structure of the graph) to allow some target nodes to evade detection. In this paper, we exploit this vulnerability by designing a new type of targeted structural poisoning attacks to a representative regression-based GAD system termed OddBall. Specially, we formulate the attack against OddBall as a bi-level optimization problem, where the key technical challenge is to efficiently solve the problem in a discrete domain. We propose a novel attack method termed BinarizedAttack based on gradient descent. Comparing to prior arts, BinarizedAttack can better use the gradient information, making it particularly suitable for solving combinatorial optimization problems. Furthermore, we investigate the attack transferability of BinarizedAttack by employing it to attack other representation-learning-based GAD systems. Our comprehensive experiments demonstrate that BinarizedAttack is very effective in enabling target nodes to evade graph-based anomaly detection tools with limited attackers' budget, and in the black-box transfer attack setting, BinarizedAttack is also tested effective and in particular, can significantly change the node embeddings learned by the GAD systems. Our research thus opens the door to studying a new type of attack against security analytic tools that rely on graph data.
Lingxiao Wang, Tian Xu, Till Hannes Stoecker et al.
As the COVID-19 pandemic continues to ravage the world, it is of critical significance to provide a timely risk prediction of the COVID-19 in multi-level. To implement it and evaluate the public health policies, we develop a framework with machine learning assisted to extract epidemic dynamics from the infection data, in which contains a county-level spatiotemporal epidemiological model that combines a spatial Cellular Automaton (CA) with a temporal Susceptible-Undiagnosed-Infected-Removed (SUIR) model. Compared with the existing time risk prediction models, the proposed CA-SUIR model shows the multi-level risk of the county to the government and coronavirus transmission patterns under different policies. This new toolbox is first utilized to the projection of the multi-level COVID-19 prevalence over 412 Landkreis (counties) in Germany, including t-day-ahead risk forecast and the risk assessment to the travel restriction policy. As a practical illustration, we predict the situation at Christmas where the worst fatalities are 34.5 thousand, effective policies could contain it to below 21 thousand. Such intervenable evaluation system could help decide on economic restarting and public health policies making in pandemic.