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Path-Based Gradient Boosting for Graph-Level Prediction

arXiv.org Machine Learning

We propose PathBoost, a gradient tree boosting method for graph-level classification and regression that learns discriminative path-based features directly from the input graph structure. Building on a previous work, which was tailored to a specific chemistry application, PathBoost introduces three key extensions: (i) adaptation to binary classification through gradient boosting with a logistic loss, (ii) incorporation of multiple node and edge attributes into the path feature space via a prefix-based decomposition, and (iii) automatic anchor node selection based on categorical attribute diversity, eliminating the need for the user to specify the starting point of the considered path features. We compared PathBoost to graph neural networks and graph kernel approaches on several benchmark datasets, obtaining better results in half of them, and comparable results in the rest. PathBoost shows better performances on graphs with larger average node counts. Overall, the results demonstrate that path-based boosting methods can be competitive with more complex black-box approaches.


Supplementary material for TopoSRL: Topology Preserving Self-Supervised Simplicial Representation Learning

Neural Information Processing Systems

Theorem 1. Minimizing the expected loss Suppose we have T -dimensional features. Anchor nodes serve as fixed reference points within a simplicial complex, anchoring its structure and providing stability. Furthermore, anchor nodes can also represent important entities. Figure S2: Comparison of TSNE plots of representations learned by various encoders. CCA-SSG methods can not capture higher-order information and show similar artifacts. For example, the two clusters on the bottom and one from the right (corresponding to classes 1,2,3) are students from the same year but in different divisions.




SAGAS: Semantic-Aware Graph-Assisted Stitching for Offline Temporal Logic Planning

arXiv.org Artificial Intelligence

Linear Temporal Logic (LTL) provides a rigorous framework for complex robotic tasks, yet existing methods often rely on accurate dynamics models or expensive online interactions. In this work, we address LTL-constrained control in a challenging offline, model-free setting, utilizing only fixed, task-agnostic datasets of fragmented trajectories. We propose SAGAS, a novel framework combining graph-assisted trajectory stitching with automata-guided planning. First, we construct a latent reachability graph from a learned temporal-distance representation. To bridge the semantic gap, we augment this graph with certified anchor nodes and probabilistic soft labels. We then translate the specification into a Bรผchi automaton and search the implicit product space to derive a cost-minimal prefix-suffix plan. Finally, a subgoal-conditioned low-level policy is deployed to execute these latent waypoints. Experiments on OGBench locomotion domains demonstrate that SAGAS successfully synthesizes efficient trajectories for diverse LTL tasks, effectively bridging the gap between fragmented offline data and complex logical constraints.




Rapid Manufacturing of Lightweight Drone Frames Using Single-Tow Architected Composites

arXiv.org Artificial Intelligence

The demand for lightweight and high-strength composite structures is rapidly growing in aerospace and robotics, particularly for optimized drone frames. However, conventional composite manufacturing methods struggle to achieve complex 3D architectures for weight savings and rely on assembling separate components, which introduce weak points at the joints. Additionally, maintaining continuous fiber reinforcement remains challenging, limiting structural efficiency. In this study, we demonstrate the lightweight Face Centered Cubic (FFC) lattice structured conceptualization of drone frames for weight reduction and complex topology fabrication through 3D Fiber Tethering (3DFiT) using continuous single tow fiber ensuring precise fiber alignment, eliminating weak points associated with traditional composite assembly. Mechanical testing demonstrates that the fabricated drone frame exhibits a high specific strength of around four to eight times the metal and thermoplastic, outperforming other conventional 3D printing methods. The drone frame weighs only 260 g, making it 10% lighter than the commercial DJI F450 frame, enhancing structural integrity and contributing to an extended flight time of three minutes, while flight testing confirms its stability and durability under operational conditions. The findings demonstrate the potential of single tow lattice truss-based drone frames, with 3DFiT serving as a scalable and efficient manufacturing method.


FreeGAD: A Training-Free yet Effective Approach for Graph Anomaly Detection

arXiv.org Artificial Intelligence

Graph Anomaly Detection (GAD) aims to identify nodes that deviate from the majority within a graph, playing a crucial role in applications such as social networks and e-commerce. Despite the current advancements in deep learning-based GAD, existing approaches often suffer from high deployment costs and poor scalability due to their complex and resource-intensive training processes. Surprisingly, our empirical findings suggest that the training phase of deep GAD methods, commonly perceived as crucial, may actually contribute less to anomaly detection performance than expected. Inspired by this, we propose FreeGAD, a novel training-free yet effective GAD method. Specifically, it leverages an affinity-gated residual encoder to generate anomaly-aware representations. Meanwhile, FreeGAD identifies anchor nodes as pseudo-normal and anomalous guides, followed by calculating anomaly scores through anchor-guided statistical deviations. Extensive experiments demonstrate that FreeGAD achieves superior anomaly detection performance, efficiency, and scalability on multiple benchmark datasets from diverse domains, without any training or iterative optimization.


Response to Review # 2: 2 On the downstream tasks: It seems like there is a misunderstanding on the downstream tasks we considered in this

Neural Information Processing Systems

We thank all reviewers for their thorough reading and valuable comments! Please find below our responses. In some datasets, the performance gap is even huge (e.g., more than 3% absolute On data splits: we did mention the data split statistics in Line 242-244. We will move the necessary data statistics to the main text in the revision. In addition, we provided the source code and instructions as supplementary files for better reproducibility.