Adaptive Substructure-Aware Expert Model for Molecular Property Prediction

Molecular property prediction is essential for applications such as drug discovery and toxicity assessment. While Graph Neural Networks (GNNs) have shown promising results by modeling molecules as molecular graphs, their reliance on data-driven learning limits their ability to generalize, particularly in the presence of data imbalance and diverse molecular substructures. Existing methods often overlook the varying contributions of different substructures to molecular properties, treating them uniformly. To address these challenges, we propose ASE-Mol, a novel GNN-based framework that leverages a Mixture-of-Experts (MoE) approach for molecular property prediction. ASE-Mol incorporates BRICS decomposition and significant substructure awareness to dynamically identify positive and negative substructures. By integrating a MoE architecture, it reduces the adverse impact of negative motifs while improving adaptability to positive motifs. Experimental results on eight benchmark datasets demonstrate that ASE-Mol achieves state-of-the-art performance, with significant improvements in both accuracy and interpretability.

Unveiling Latent Information in Transaction Hashes: Hypergraph Learning for Ethereum Ponzi Scheme Detection

With the widespread adoption of Ethereum, financial frauds such as Ponzi schemes have become increasingly rampant in the blockchain ecosystem, posing significant threats to the security of account assets. Existing Ethereum fraud detection methods typically model account transactions as graphs, but this approach primarily focuses on binary transactional relationships between accounts, failing to adequately capture the complex multi-party interaction patterns inherent in Ethereum. To address this, we propose a hypergraph modeling method for the Ponzi scheme detection method in Ethereum, called HyperDet. Specifically, we treat transaction hashes as hyperedges that connect all the relevant accounts involved in a transaction. Additionally, we design a two-step hypergraph sampling strategy to significantly reduce computational complexity. Furthermore, we introduce a dual-channel detection module, including the hypergraph detection channel and the hyper-homo graph detection channel, to be compatible with existing detection methods. Experimental results show that, compared to traditional homogeneous graph-based methods, the hyper-homo graph detection channel achieves significant performance improvements, demonstrating the superiority of hypergraph in Ponzi scheme detection. This research offers innovations for modeling complex relationships in blockchain data.

MCLRL: A Multi-Domain Contrastive Learning with Reinforcement Learning Framework for Few-Shot Modulation Recognition

With the rapid advancements in wireless communication technology, automatic modulation recognition (AMR) plays a critical role in ensuring communication security and reliability. However, numerous challenges, including higher performance demands, difficulty in data acquisition under specific scenarios, limited sample size, and low-quality labeled data, hinder its development. Few-shot learning (FSL) offers an effective solution by enabling models to achieve satisfactory performance with only a limited number of labeled samples. While most FSL techniques are applied in the field of computer vision, they are not directly applicable to wireless signal processing. This study does not propose a new FSL-specific signal model but introduces a framework called MCLRL. This framework combines multi-domain contrastive learning with reinforcement learning. Multi-domain representations of signals enhance feature richness, while integrating contrastive learning and reinforcement learning architectures enables the extraction of deep features for classification. In downstream tasks, the model achieves excellent performance using only a few samples and minimal training cycles. Experimental results show that the MCLRL framework effectively extracts key features from signals, performs well in FSL tasks, and maintains flexibility in signal model selection.

Mixture of Decoupled Message Passing Experts with Entropy Constraint for General Node Classification

The varying degrees of homophily and heterophily in real-world graphs persistently constrain the universality of graph neural networks (GNNs) for node classification. Adopting a data-centric perspective, this work reveals an inherent preference of different graphs towards distinct message encoding schemes: homophilous graphs favor local propagation, while heterophilous graphs exhibit preference for flexible combinations of propagation and transformation. To address this, we propose GNNMoE, a universal node classification framework based on the Mixture-of-Experts (MoE) mechanism. The framework first constructs diverse message-passing experts through recombination of fine-grained encoding operators, then designs soft and hard gating layers to allocate the most suitable expert networks for each node's representation learning, thereby enhancing both model expressiveness and adaptability to diverse graphs. Furthermore, considering that soft gating might introduce encoding noise in homophilous scenarios, we introduce an entropy constraint to guide sharpening of soft gates, achieving organic integration of weighted combination and Top-K selection. Extensive experiments demonstrate that GNNMoE significantly outperforms mainstream GNNs, heterophilous GNNs, and graph transformers in both node classification performance and universality across diverse graph datasets.

Efficient Parallel Genetic Algorithm for Perturbed Substructure Optimization in Complex Network

Evolutionary computing, particularly genetic algorithm (GA), is a combinatorial optimization method inspired by natural selection and the transmission of genetic information, which is widely used to identify optimal solutions to complex problems through simulated programming and iteration. Due to its strong adaptability, flexibility, and robustness, GA has shown significant performance and potentiality on perturbed substructure optimization (PSSO), an important graph mining problem that achieves its goals by modifying network structures. However, the efficiency and practicality of GA-based PSSO face enormous challenges due to the complexity and diversity of application scenarios. While some research has explored acceleration frameworks in evolutionary computing, their performance on PSSO remains limited due to a lack of scenario generalizability. Based on these, this paper is the first to present the GA-based PSSO Acceleration framework (GAPA), which simplifies the GA development process and supports distributed acceleration. Specifically, it reconstructs the genetic operation and designs a development framework for efficient parallel acceleration. Meanwhile, GAPA includes an extensible library that optimizes and accelerates 10 PSSO algorithms, covering 4 crucial tasks for graph mining. Comprehensive experiments on 18 datasets across 4 tasks and 10 algorithms effectively demonstrate the superiority of GAPA, achieving an average of 4x the acceleration of Evox. The repository is in https://github.com/NetAlsGroup/GAPA.

CoF: Coarse to Fine-Grained Image Understanding for Multi-modal Large Language Models

The impressive performance of Large Language Model (LLM) has prompted researchers to develop Multi-modal LLM (MLLM), which has shown great potential for various multi-modal tasks. However, current MLLM often struggles to effectively address fine-grained multi-modal challenges. We argue that this limitation is closely linked to the models' visual grounding capabilities. The restricted spatial awareness and perceptual acuity of visual encoders frequently lead to interference from irrelevant background information in images, causing the models to overlook subtle but crucial details. As a result, achieving fine-grained regional visual comprehension becomes difficult. In this paper, we break down multi-modal understanding into two stages, from Coarse to Fine (CoF). In the first stage, we prompt the MLLM to locate the approximate area of the answer. In the second stage, we further enhance the model's focus on relevant areas within the image through visual prompt engineering, adjusting attention weights of pertinent regions. This, in turn, improves both visual grounding and overall performance in downstream tasks. Our experiments show that this approach significantly boosts the performance of baseline models, demonstrating notable generalization and effectiveness. Our CoF approach is available online at https://github.com/Gavin001201/CoF.

Mixture of Experts Meets Decoupled Message Passing: Towards General and Adaptive Node Classification

Graph neural networks excel at graph representation learning but struggle with heterophilous data and long-range dependencies. And graph transformers address these issues through self-attention, yet face scalability and noise challenges on large-scale graphs. To overcome these limitations, we propose GNNMoE, a universal model architecture for node classification. This architecture flexibly combines fine-grained message-passing operations with a mixture-of-experts mechanism to build feature encoding blocks. Furthermore, by incorporating soft and hard gating layers to assign the most suitable expert networks to each node, we enhance the model's expressive power and adaptability to different graph types. In addition, we introduce adaptive residual connections and an enhanced FFN module into GNNMoE, further improving the expressiveness of node representation. Extensive experimental results demonstrate that GNNMoE performs exceptionally well across various types of graph data, effectively alleviating the over-smoothing issue and global noise, enhancing model robustness and adaptability, while also ensuring computational efficiency on large-scale graphs.

Reassessing Layer Pruning in LLMs: New Insights and Methods

Although large language models (LLMs) have achieved remarkable success across various domains, their considerable scale necessitates substantial computational resources, posing significant challenges for deployment in resource-constrained environments. Layer pruning, as a simple yet effective compression method, removes layers of a model directly, reducing computational overhead. However, what are the best practices for layer pruning in LLMs? Are sophisticated layer selection metrics truly effective? Does the LoRA (Low-Rank Approximation) family, widely regarded as a leading method for pruned model fine-tuning, truly meet expectations when applied to post-pruning fine-tuning? To answer these questions, we dedicate thousands of GPU hours to benchmarking layer pruning in LLMs and gaining insights across multiple dimensions. Our results demonstrate that a simple approach, i.e., pruning the final 25\% of layers followed by fine-tuning the \texttt{lm\_head} and the remaining last three layer, yields remarkably strong performance. Following this guide, we prune Llama-3.1-8B-It and obtain a model that outperforms many popular LLMs of similar size, such as ChatGLM2-6B, Vicuna-7B-v1.5, Qwen1.5-7B and Baichuan2-7B. We release the optimal model weights on Huggingface, and the code is available on GitHub.

Lateral Movement Detection via Time-aware Subgraph Classification on Authentication Logs

Lateral movement is a crucial component of advanced persistent threat (APT) attacks in networks. Attackers exploit security vulnerabilities in internal networks or IoT devices, expanding their control after initial infiltration to steal sensitive data or carry out other malicious activities, posing a serious threat to system security. Existing research suggests that attackers generally employ seemingly unrelated operations to mask their malicious intentions, thereby evading existing lateral movement detection methods and hiding their intrusion traces. In this regard, we analyze host authentication log data from a graph perspective and propose a multi-scale lateral movement detection framework called LMDetect. The main workflow of this framework proceeds as follows: 1) Construct a heterogeneous multigraph from host authentication log data to strengthen the correlations among internal system entities; 2) Design a time-aware subgraph generator to extract subgraphs centered on authentication events from the heterogeneous authentication multigraph; 3) Design a multi-scale attention encoder that leverages both local and global attention to capture hidden anomalous behavior patterns in the authentication subgraphs, thereby achieving lateral movement detection. Extensive experiments on two real-world authentication log datasets demonstrate the effectiveness and superiority of our framework in detecting lateral movement behaviors.

RedTest: Towards Measuring Redundancy in Deep Neural Networks Effectively

Deep learning has revolutionized computing in many real-world applications, arguably due to its remarkable performance and extreme convenience as an end-to-end solution. However, deep learning models can be costly to train and to use, especially for those large-scale models, making it necessary to optimize the original overly complicated models into smaller ones in scenarios with limited resources such as mobile applications or simply for resource saving. The key question in such model optimization is, how can we effectively identify and measure the redundancy in a deep learning model structure. While several common metrics exist in the popular model optimization techniques to measure the performance of models after optimization, they are not able to quantitatively inform the degree of remaining redundancy. To address the problem, we present a novel testing approach, i.e., RedTest, which proposes a novel testing metric called Model Structural Redundancy Score (MSRS) to quantitatively measure the degree of redundancy in a deep learning model structure. We first show that MSRS is effective in both revealing and assessing the redundancy issues in many state-of-the-art models, which urgently calls for model optimization. Then, we utilize MSRS to assist deep learning model developers in two practical application scenarios: 1) in Neural Architecture Search, we design a novel redundancy-aware algorithm to guide the search for the optimal model structure and demonstrate its effectiveness by comparing it to existing standard NAS practice; 2) in the pruning of large-scale pre-trained models, we prune the redundant layers of pre-trained models with the guidance of layer similarity to derive less redundant ones of much smaller size. Extensive experimental results demonstrate that removing such redundancy has a negligible effect on the model utility.