Long-term, high-fidelity simulation of slow-changing physical systems, such as the ocean and climate, presents a fundamental challenge in scientific computing. Traditional autoregressive machine learning models often fail in these tasks as minor errors accumulate and lead to rapid forecast degradation. To address this problem, we propose NeuralOM, a general neural operator framework designed for simulating complex, slow-changing dynamics. NeuralOM's core consists of two key innovations: (1) a Progressive Residual Correction Framework that decomposes the forecasting task into a series of fine-grained refinement steps, effectively suppressing long-term error accumulation; and (2) a Physics-Guided Graph Network whose built-in adaptive messaging mechanism explicitly models multi-scale physical interactions, such as gradient-driven flows and multiplicative couplings, thereby enhancing physical consistency while maintaining computational efficiency. We validate NeuralOM on the challenging task of global Subseasonal-to-Seasonal (S2S) ocean simulation. Extensive experiments demonstrate that NeuralOM not only surpasses state-of-the-art models in forecast accuracy and long-term stability, but also excels in simulating extreme events. For instance, at a 60-day lead time, NeuralOM achieves a 13.3% lower RMSE compared to the best-performing baseline, offering a stable, efficient, and physically-aware paradigm for data-driven scientific computing.

In this paper, we use the Fire Dynamics Simulator (FDS) combined with the {\fontfamily{lmtt}\selectfont \textit{supercomputer}} support to create a \textbf{C}ombustion \textbf{K}inetics (CK) dataset for machine learning and scientific research. This dataset captures the development of fires in industrial parks with high-precision Computational Fluid Dynamics (CFD) simulations. It includes various physical fields such as temperature and pressure, and covers multiple environmental combinations for exploring \underline{multi-physics} field coupling phenomena. Additionally, we evaluate several advanced machine learning architectures across our {\fontfamily{lmtt}\selectfont {Open-CK}} benchmark using a substantial computational setup of 64 NVIDIA A100 GPUs: \ding{182} vision backbone; \ding{183} spatio-temporal predictive models; \ding{184} operator learning frameworks. These architectures uniquely excel at handling complex physical field data. We also introduce three benchmarks to demonstrate their potential in enhancing the exploration of downstream tasks: (a) capturing continuous changes in combustion kinetics; (b) a neural partial differential equation solver for learning temperature fields and turbulence; (c) reconstruction of sparse physical observations. The Open-CK dataset and benchmarks aim to advance research in combustion kinetics driven by machine learning, providing a reliable baseline for developing and comparing cutting-edge technologies and models. We hope to further promote the application of deep learning in earth sciences. Our project is available at \url{https://github.com/whscience/Open-CK}.

Accurate weather forecasts are important for disaster prevention, agricultural planning, etc. Traditional numerical weather prediction (NWP) methods offer physically interpretable high-accuracy predictions but are computationally expensive and fail to fully leverage rapidly growing historical data. In recent years, deep learning models have made significant progress in weather forecasting, but challenges remain, such as balancing global and regional high-resolution forecasts, excessive smoothing in extreme event predictions, and insufficient dynamic system modeling. To address these issues, this paper proposes a global-regional nested weather forecasting framework (OneForecast) based on graph neural networks. By combining a dynamic system perspective with multi-grid theory, we construct a multi-scale graph structure and densify the target region to capture local high-frequency features. We introduce an adaptive messaging mechanism, using dynamic gating units to deeply integrate node and edge features for more accurate extreme event forecasting. For high-resolution regional forecasts, we propose a neural nested grid method to mitigate boundary information loss. Experimental results show that OneForecast performs excellently across global to regional scales and short-term to long-term forecasts, especially in extreme event predictions. Codes link: \url{https://github.com/YuanGao-YG/OneForecast}.

The modeling of complicated time-evolving physical dynamics from partial observations is a long-standing challenge. Particularly, observations can be sparsely distributed in a seemingly random or unstructured manner, making it difficult to capture highly nonlinear features in a variety of scientific and engineering problems. However, existing data-driven approaches are often constrained by fixed spatial and temporal discretization. While some researchers attempt to achieve spatio-temporal continuity by designing novel strategies, they either overly rely on traditional numerical methods or fail to truly overcome the limitations imposed by discretization. To address these, we propose CoPS, a purely data-driven methods, to effectively model continuous physics simulation from partial observations. Specifically, we employ multiplicative filter network to fuse and encode spatial information with the corresponding observations. Then we customize geometric grids and use message-passing mechanism to map features from original spatial domain to the customized grids. Subsequently, CoPS models continuous-time dynamics by designing multi-scale graph ODEs, while introducing a Markov-based neural auto-correction module to assist and constrain the continuous extrapolations. Comprehensive experiments demonstrate that CoPS advances the state-of-the-art methods in space-time continuous modeling across various scenarios. The source code is available at~\url{https://github.com/Sunxkissed/CoPS}.

Graph-based fraud detection (GFD) can be regarded as a challenging semi-supervised node binary classification task. In recent years, Graph Neural Networks (GNN) have been widely applied to GFD, characterizing the anomalous possibility of a node by aggregating neighbor information. However, fraud graphs are inherently heterophilic, thus most of GNNs perform poorly due to their assumption of homophily. In addition, due to the existence of heterophily and class imbalance problem, the existing models do not fully utilize the precious node label information. To address the above issues, this paper proposes a semi-supervised GNN-based fraud detector SEC-GFD. This detector includes a hybrid filtering module and a local environmental constraint module, the two modules are utilized to solve heterophily and label utilization problem respectively. The first module starts from the perspective of the spectral domain, and solves the heterophily problem to a certain extent. Specifically, it divides the spectrum into various mixed-frequency bands based on the correlation between spectrum energy distribution and heterophily. Then in order to make full use of the node label information, a local environmental constraint module is adaptively designed. The comprehensive experimental results on four real-world fraud detection datasets denote that SEC-GFD outperforms other competitive graph-based fraud detectors. We release our code at https://github.com/Sunxkissed/SEC-GFD.

In this paper, we investigate the challenge of spatio-temporal video prediction, which involves generating future videos based on historical data streams. Existing approaches typically utilize external information such as semantic maps to enhance video prediction, which often neglect the inherent physical knowledge embedded within videos. Furthermore, their high computational demands could impede their applications for high-resolution videos. To address these constraints, we introduce a novel approach called Physics-assisted Spatio-temporal Network (PastNet) for generating high-quality video prediction. The core of our PastNet lies in incorporating a spectral convolution operator in the Fourier domain, which efficiently introduces inductive biases from the underlying physical laws. Additionally, we employ a memory bank with the estimated intrinsic dimensionality to discretize local features during the processing of complex spatio-temporal signals, thereby reducing computational costs and facilitating efficient high-resolution video prediction. Extensive experiments on various widely-used datasets demonstrate the effectiveness and efficiency of the proposed PastNet compared with a range of state-of-the-art methods, particularly in high-resolution scenarios. Our code is available at https://github.com/easylearningscores/PastNet.

This work studies the problem of out-of-distribution fluid dynamics modeling. Previous works usually design effective neural operators to learn from mesh-based data structures. However, in real-world applications, they would suffer from distribution shifts from the variance of system parameters and temporal evolution of the dynamical system. In this paper, we propose a novel approach named \underline{P}rompt Evol\underline{u}tion with G\underline{r}aph OD\underline{E} (\method{}) for out-of-distribution fluid dynamics modeling. The core of our \method{} is to learn time-evolving prompts using a graph ODE to adapt spatio-temporal forecasting models to different scenarios. In particular, our \method{} first learns from historical observations and system parameters in the frequency domain to explore multi-view context information, which could effectively initialize prompt embeddings. More importantly, we incorporate the interpolation of observation sequences into a graph ODE, which can capture the temporal evolution of prompt embeddings for model adaptation. These time-evolving prompt embeddings are then incorporated into basic forecasting models to overcome temporal distribution shifts. We also minimize the mutual information between prompt embeddings and observation embeddings to enhance the robustness of our model to different distributions. Extensive experiments on various benchmark datasets validate the superiority of the proposed \method{} in comparison to various baselines.

Network attacks aim to exploit vulnerabilities inherent in network protocols, which is widely used in many real-world applications. In the process of network anomaly detection, most methods train the model by minimizing the average empirical risk of all samples. However, due to the uneven distribution of samples from different protocols, detection models tend to be biased against minority protocols groups. To address this issue, we propose an adaptive weight assignment method for network attack detection, which emphasizes more on error-prone samples in prediction and enhances adequate representation of minority groups for fairness. We conduct experiments on two widely used datasets, KDD and NSLKDD. According to the results, our method achieves better performance than state-of-the-art methods for classification and regression tasks, and is robust to label noise in the test dataset.

Graph anomaly detection plays a crucial role in identifying exceptional instances in graph data that deviate significantly from the majority. It has gained substantial attention in various domains of information security, including network intrusion, financial fraud, and malicious comments, et al. Existing methods are primarily developed in an unsupervised manner due to the challenge in obtaining labeled data. For lack of guidance from prior knowledge in unsupervised manner, the identified anomalies may prove to be data noise or individual data instances. In real-world scenarios, a limited batch of labeled anomalies can be captured, making it crucial to investigate the few-shot problem in graph anomaly detection. Taking advantage of this potential, we propose a novel few-shot Graph Anomaly Detection model called FMGAD (Few-shot Message-Enhanced Contrastive-based Graph Anomaly Detector). FMGAD leverages a self-supervised contrastive learning strategy within and across views to capture intrinsic and transferable structural representations. Furthermore, we propose the Deep-GNN message-enhanced reconstruction module, which extensively exploits the few-shot label information and enables long-range propagation to disseminate supervision signals to deeper unlabeled nodes. This module in turn assists in the training of self-supervised contrastive learning. Comprehensive experimental results on six real-world datasets demonstrate that FMGAD can achieve better performance than other state-of-the-art methods, regardless of artificially injected anomalies or domain-organic anomalies.

Anomaly detection aims to detect data that do not conform to regular patterns, and such data is also called outliers. The anomalies to be detected are often tiny in proportion, containing crucial information, and are suitable for application scenes like intrusion detection, fraud detection, fault diagnosis, e-commerce platforms, et al. However, in many realistic scenarios, only the samples following normal behavior are observed, while we can hardly obtain any anomaly information. To address such problem, we propose an anomaly detection method GALDetector which is combined of global and local information based on observed normal samples. The proposed method can be divided into a three-stage method. Firstly, the global similar normal scores and the local sparsity scores of unlabeled samples are computed separately. Secondly, potential anomaly samples are separated from the unlabeled samples corresponding to these two scores and corresponding weights are assigned to the selected samples. Finally, a weighted anomaly detector is trained by loads of samples, then the detector is utilized to identify else anomalies. To evaluate the effectiveness of the proposed method, we conducted experiments on three categories of real-world datasets from diverse domains, and experimental results show that our method achieves better performance when compared with other state-of-the-art methods.