Computer-aided diagnosis greatly enhances personalized treatment planning and diagnostic efficiency by providing accurate dental anatomy through teeth segmentation. However, it still constrained by the scarcity of high-quality annotated dental datasets. To address this issue, this paper presents a dataset combining both 2D panoramic X-rays with over 6,500 images and 3D CBCT with over 580 volumes (88,500+ slices) to support the Semi-supervised Teeth Segmentation (STS) Challenge, which includes partially meticulous annotations and covers all age groups. Moreover, multi-phase semi-supervised teeth segmentation algorithms and high-confidence pseudo-labels refinement strategies were proposed by competitors during this challenge. Algorithms were verified on this proposed dataset and good segmentation performance were achieved, over 93+ and 80+ Dice score were obtained for top three 2D and 3D participants, demonstrating the high quality of this proposed dataset. This paper also summarizes the diverse methods employed by the top-ranking teams in the MICCAI 2023 STS Challenge. Our dataset is publicly accessible through Zenodo ( https://zenodo.org/records/10597292 ), and the participants’ code is hosted on GitHub ( https://github.com/ricoleehduu/STS-Challenge ).

In the drug discovery process, the low success rate of drug candidate screening often leads to insufficient labeled data, causing the few-shot learning problem in molecular property prediction. Existing methods for few-shot molecular property prediction overlook the sample selection bias, which arises from non-random sample selection in chemical experiments. This bias in data representativeness leads to suboptimal performance. To overcome this challenge, we present a novel method named Contextual Representation Anchor Network (CRANet), where an anchor refers to a cluster center of the representations of molecules and serves as a bridge to transfer enriched contextual knowledge into molecular representations and enhance their expressiveness. CRANet introduces a dual-augmentation mechanism that includes context augmentation, which dynamically retrieves analogous unlabeled molecules and captures their task-specific contextual knowledge to enhance the anchors, and anchor augmentation, which leverages the anchors to augment the molecular representations. We evaluate our approach using the MoleculeNet and FS-Mol benchmarks, as well as through domain transfer experiments. The outcomes indicate that CRANet surpasses current state-of-the-art methods by 0.10% to 5.48% in AUC and 2.52% in ΔAUC-PR metrics, showcasing its exceptional generalization abilities.

Drug discovery is crucial for identifying candidate drugs for various diseases. However, its low success rate often results in a scarcity of annotations, posing a few-shot learning problem. Existing methods primarily focus on single-scale features, overlooking the hierarchical molecular structures that determine different molecular properties. To address these issues, we introduce Universal Matching Networks (UniMatch), a dual matching framework that integrates explicit hierarchical molecular matching with implicit task-level matching via meta- learning, bridging multi-level molecular representations and task-level generalization. Specifically, our approach explicitly captures structural features across multiple levels—atoms, substructures, and molecules—via hierarchical pooling and matching, facilitating precise molecular representation and comparison. Additionally, we employ a meta-learning strategy for implicit task-level matching, allowing the model to capture shared patterns across tasks and quickly adapt to new ones. This unified matching framework ensures effective molecular alignment while leveraging shared meta-knowledge for fast adaptation. Our experimental results demonstrate that UniMatch outperforms state-of-the-art methods on the MoleculeNet and FS-Mol benchmarks, achieving improvements of 2.87% in AUROC and 6.52% in ∆AUPRC. UniMatch also shows excellent generalization ability on the Meta-MolNet benchmark.

Effective molecular representation learning is crucial for advancing molecular property prediction and drug design. Mainstream molecular representation learning methods rely on Graph Neural Networks (GNNs) to model complex molecular structures. However, these GNN-based approaches struggle with three significant issues: insufficient annotations, molecular diversity, and architectural limitations such as over-squashing, which leads to the loss of critical structural details. To address these issues, we introduce a new class of GNNs that integrates the Kolmogorov-Arnold Networks (KANs), known for their robust data-fitting capabilities and high accuracy in small-scale AI + Science tasks. By incorporating KANs into GNNs, our model enhances the representation of molecular structures. We further advance this approach with a variant called SwallowKAN (SKAN), which employs adaptive Radial Basis Functions (RBFs) as the core of the non-linear neurons. This innovation improves both computational efficiency and adaptability to diverse molecular structures. Building on the strengths of SKAN, we propose a new class of GNNs, GNN-SKAN, and its augmented variant, GNN-SKAN+, which incorporates a SKAN-based classifier to further boost the performance. Experiments across 6 classification datasets, 6 regression datasets, and 4 few-shot learning datasets demonstrate that our approach achieves new state-of-the-art performance in terms of accuracy and computational cost.

This paper proposes a spatiotemporal deep learning framework, Trajectory-based Graph Neural Network (TrGNN), that mines the underlying causality of flows from historical vehicle trajectories and incorporates that into road traffic prediction. The vehicle trajectory transition patterns are studied to explicitly model the spatial traffic demand via graph propagation along the road network; an attention mechanism is designed to learn the temporal dependencies based on neighborhood traffic status; and finally, a fusion of multi-step prediction is integrated into the graph neural network design. The proposed approach is evaluated with a real-world trajectory dataset. Experiment results show that the proposed TrGNN model achieves over 5% error reduction when compared with the state-of-the-art approaches across all metrics for normal traffic, and up to 14% for atypical traffic during peak hours or abnormal events. The advantage of trajectory transitions especially manifest itself in inferring high fluctuation of flows as well as non-recurrent flow patterns.

Vehicle trajectories provide essential information to understand the urban mobility and benefit a wide range of urban applications. State-of-the-art solutions for vehicle sensing may not build accurate and complete knowledge of all vehicle trajectories. In order to fill the gap, this paper proposes VeTrac, a comprehensive system that employs widely deployed traffic cameras as a sensing network to trace vehicle movements and reconstruct their trajectories in a large scale. VeTrac fuses mobility correlation and vision-based analysis to reduce uncertainties in identifying vehicles. A graph convolution process is employed to maintain the identity consistency across different camera observations, and a self-training process is invoked when aligning with the urban road network to reconstruct vehicle trajectories with confidence. Extensive experiments with real-world data input of over 7 million vehicle snapshots from over one thousand traffic cameras demonstrate that VeTrac achieves 98% accuracy for simple expressway scenario and 89% accuracy for complex urban environment. The achieved accuracy outperforms alternative solutions by 32% for expressway scenario and by 59% for complex urban environment.