Prompt Tuning without Labeled Samples for Zero-Shot Node Classification in Text-Attributed Graphs

Node classification is a fundamental problem in information retrieval with many real-world applications, such as community detection in social networks, grouping articles published online and product categorization in e-commerce. Zero-shot node classification in text-attributed graphs (TAGs) presents a significant challenge, particularly due to the absence of labeled data. In this paper, we propose a novel Zero-shot Prompt Tuning (ZPT) framework to address this problem by leveraging a Universal Bimodal Conditional Generator (UBCG). Our approach begins with pre-training a graph-language model to capture both the graph structure and the associated textual descriptions of each node. Following this, a conditional generative model is trained to learn the joint distribution of nodes in both graph and text modalities, enabling the generation of synthetic samples for each class based solely on the class name. These synthetic node and text embeddings are subsequently used to perform continuous prompt tuning, facilitating effective node classification in a zero-shot setting. Furthermore, we conduct extensive experiments on multiple benchmark datasets, demonstrating that our framework performs better than existing state-of-the-art baselines. We also provide ablation studies to validate the contribution of the bimodal generator. The code is provided at: https://github.com/Sethup123/ZPT.

Time-Aware Adaptive Side Information Fusion for Sequential Recommendation

Incorporating item-side information, such as category and brand, into sequential recommendation is a well-established and effective approach for improving performance. However, despite significant advancements, current models are generally limited by three key challenges: they often overlook the fine-grained temporal dynamics inherent in timestamps, exhibit vulnerability to noise in user interaction sequences, and rely on computationally expensive fusion architectures. To systematically address these challenges, we propose the Time-Aware Adaptive Side Information Fusion (TASIF) framework. TASIF integrates three synergistic components: (1) a simple, plug-and-play time span partitioning mechanism to capture global temporal patterns; (2) an adaptive frequency filter that leverages a learnable gate to denoise feature sequences adaptively, thereby providing higher-quality inputs for subsequent fusion modules; and (3) an efficient adaptive side information fusion layer, this layer employs a "guide-not-mix" architecture, where attributes guide the attention mechanism without being mixed into the content-representing item embeddings, ensuring deep interaction while ensuring computational efficiency. Extensive experiments on four public datasets demonstrate that TASIF significantly outperforms state-of-the-art baselines while maintaining excellent efficiency in training. Our source code is available at https://github.com/jluo00/TASIF.

A Surrogate-Augmented Symbolic CFD-Driven Training Framework for Accelerating Multi-objective Physical Model Development

Computational Fluid Dynamics (CFD)-driven training combines machine learning (ML) with CFD solvers to develop physically consistent closure models with improved predictive accuracy. In the original framework, each ML-generated candidate model is embedded in a CFD solver and evaluated against reference data, requiring hundreds to thousands of high-fidelity simulations and resulting in prohibitive computational cost for complex flows. To overcome this limitation, we propose an extended framework that integrates surrogate modeling into symbolic CFD-driven training in real time to reduce training cost. The surrogate model learns to approximate the errors of ML-generated models based on previous CFD evaluations and is continuously refined during training. Newly generated models are first assessed using the surrogate, and only those predicted to yield small errors or high uncertainty are subsequently evaluated with full CFD simulations. Discrete expressions generated by symbolic regression are mapped into a continuous space using averaged input-symbol values as inputs to a probabilistic surrogate model. To support multi-objective model training, particularly when fixed weighting of competing quantities is challenging, the surrogate is extended to a multi-output formulation by generalizing the kernel to a matrix form, providing one mean and variance prediction per training objective. Selection metrics based on these probabilistic outputs are used to identify an optimal training setup. The proposed surrogate-augmented CFD-driven training framework is demonstrated across a range of statistically one- and two-dimensional flows, including both single- and multi-expression model optimization. In all cases, the framework substantially reduces training cost while maintaining predictive accuracy comparable to that of the original CFD-driven approach.

CORE: Contrastive Masked Feature Reconstruction on Graphs

In the rapidly evolving field of self-supervised learning on graphs, generative and contrastive methodologies have emerged as two dominant approaches. Our study focuses on masked feature reconstruction (MFR), a generative technique where a model learns to restore the raw features of masked nodes in a self-supervised manner. We observe that both MFR and graph contrastive learning (GCL) aim to maximize agreement between similar elements. Building on this observation, we reveal a novel theoretical insight: under specific conditions, the objectives of MFR and node-level GCL converge, despite their distinct operational mechanisms. This theoretical connection suggests these approaches are complementary rather than fundamentally different, prompting us to explore their integration to enhance self-supervised learning on graphs. Our research presents Contrastive Masked Feature Reconstruction (CORE), a novel graph self-supervised learning framework that integrates contrastive learning into MFR. Specifically, we form positive pairs exclusively between the original and reconstructed features of masked nodes, encouraging the encoder to prioritize contextual information over the node's own features. Additionally, we leverage the masked nodes themselves as negative samples, combining MFR's reconstructive power with GCL's discriminative ability to better capture intrinsic graph structures. Empirically, our proposed framework CORE significantly outperforms MFR across node and graph classification tasks, demonstrating state-of-the-art results. In particular, CORE surpasses GraphMAE and GraphMAE2 by up to 2.80% and 3.72% on node classification tasks, and by up to 3.82% and 3.76% on graph classification tasks.

Unified Molecule Pre-training with Flexible 2D and 3D Modalities: Single and Paired Modality Integration

Molecular representation learning plays a crucial role in advancing applications such as drug discovery and material design. Existing work leverages 2D and 3D modalities of molecular information for pre-training, aiming to capture comprehensive structural and geometric insights. However, these methods require paired 2D and 3D molecular data to train the model effectively and prevent it from collapsing into a single modality, posing limitations in scenarios where a certain modality is unavailable or computationally expensive to generate. To overcome this limitation, we propose FlexMol, a flexible molecule pre-training framework that learns unified molecular representations while supporting single-modality input. Specifically, inspired by the unified structure in vision-language models, our approach employs separate models for 2D and 3D molecular data, leverages parameter sharing to improve computational efficiency, and utilizes a decoder to generate features for the missing modality. This enables a multistage continuous learning process where both modalities contribute collaboratively during training, while ensuring robustness when only one modality is available during inference. Extensive experiments demonstrate that FlexMol achieves superior performance across a wide range of molecular property prediction tasks, and we also empirically demonstrate its effectiveness with incomplete data. Our code and data are available at https://github.com/tewiSong/FlexMol.

MolGA: Molecular Graph Adaptation with Pre-trained 2D Graph Encoder

Molecular graph representation learning is widely used in chemical and biomedical research. While pre-trained 2D graph encoders have demonstrated strong performance, they overlook the rich molecular domain knowledge associated with submolecular instances (atoms and bonds). While molecular pre-training approaches incorporate such knowledge into their pre-training objectives, they typically employ designs tailored to a specific type of knowledge, lacking the flexibility to integrate diverse knowledge present in molecules. Hence, reusing widely available and well-validated pre-trained 2D encoders, while incorporating molecular domain knowledge during downstream adaptation, offers a more practical alternative. In this work, we propose MolGA, which adapts pre-trained 2D graph encoders to downstream molecular applications by flexibly incorporating diverse molecular domain knowledge. First, we propose a molecular alignment strategy that bridge the gap between pre-trained topological representations with domain-knowledge representations. Second, we introduce a conditional adaptation mechanism that generates instance-specific tokens to enable fine-grained integration of molecular domain knowledge for downstream tasks. Finally, we conduct extensive experiments on eleven public datasets, demonstrating the effectiveness of MolGA.

DF-LLaVA: Unlocking MLLM's potential for Synthetic Image Detection via Prompt-Guided Knowledge Injection

With the increasing prevalence of synthetic images, evaluating image authenticity and locating forgeries accurately while maintaining human interpretability remains a challenging task. Existing detection models primarily focus on simple authenticity classification, ultimately providing only a forgery probability or binary judgment, which offers limited explanatory insights into image authenticity. Moreover, while MLLM-based detection methods can provide more interpretable results, they still lag behind expert models in terms of pure authenticity classification accuracy. To address this, we propose DF-LLaVA, a simple yet effective framework that unlocks the intrinsic discrimination potential of MLLMs. Our approach first extracts latent knowledge from MLLMs and then injects it into training via prompts. This framework allows LLaVA to achieve outstanding detection accuracy exceeding expert models while still maintaining the interpretability offered by MLLMs. Extensive experiments confirm the superiority of our DF-LLaVA, achieving both high accuracy and explainability in synthetic image detection. Code is available online at: https://github.com/Eliot-Shen/DF-LLaVA.

CubeDN: Real-time Drone Detection in 3D Space from Dual mmWave Radar Cubes

As drone use has become more widespread, there is a critical need to ensure safety and security. A key element of this is robust and accurate drone detection and localization. While cameras and other optical sensors like LiDAR are commonly used for object detection, their performance degrades under adverse lighting and environmental conditions. Therefore, this has generated interest in finding more reliable alternatives, such as millimeter-wave (mmWave) radar. Recent research on mmWave radar object detection has predominantly focused on 2D detection of road users. Although these systems demonstrate excellent performance for 2D problems, they lack the sensing capability to measure elevation, which is essential for 3D drone detection. To address this gap, we propose CubeDN, a single-stage end-to-end radar object detection network specifically designed for flying drones. CubeDN overcomes challenges such as poor elevation resolution by utilizing a dual radar configuration and a novel deep learning pipeline. It simultaneously detects, localizes, and classifies drones of two sizes, achieving decimeter-level tracking accuracy at closer ranges with overall $95\%$ average precision (AP) and $85\%$ average recall (AR). Furthermore, CubeDN completes data processing and inference at 10Hz, making it highly suitable for practical applications.

Graph Positional Autoencoders as Self-supervised Learners

Graph self-supervised learning seeks to learn effective graph representations without relying on labeled data. Among various approaches, graph autoencoders (GAEs) have gained significant attention for their efficiency and scalability. Typically, GAEs take incomplete graphs as input and predict missing elements, such as masked nodes or edges. While effective, our experimental investigation reveals that traditional node or edge masking paradigms primarily capture low-frequency signals in the graph and fail to learn the expressive structural information. To address these issues, we propose Graph Positional Autoencoders (GraphPAE), which employs a dual-path architecture to reconstruct both node features and positions. Specifically, the feature path uses positional encoding to enhance the message-passing processing, improving GAE's ability to predict the corrupted information. The position path, on the other hand, leverages node representations to refine positions and approximate eigenvectors, thereby enabling the encoder to learn diverse frequency information. We conduct extensive experiments to verify the effectiveness of GraphPAE, including heterophilic node classification, graph property prediction, and transfer learning. The results demonstrate that GraphPAE achieves state-of-the-art performance and consistently outperforms baselines by a large margin.

HeTGB: A Comprehensive Benchmark for Heterophilic Text-Attributed Graphs

Graph neural networks (GNNs) have demonstrated success in modeling relational data primarily under the assumption of homophily. However, many real-world graphs exhibit heterophily, where linked nodes belong to different categories or possess diverse attributes. Additionally, nodes in many domains are associated with textual descriptions, forming heterophilic text-attributed graphs (TAGs). Despite their significance, the study of heterophilic TAGs remains underexplored due to the lack of comprehensive benchmarks. To address this gap, we introduce the Heterophilic Text-attributed Graph Benchmark (HeTGB), a novel benchmark comprising five real-world heterophilic graph datasets from diverse domains, with nodes enriched by extensive textual descriptions. HeTGB enables systematic evaluation of GNNs, pre-trained language models (PLMs) and co-training methods on the node classification task. Through extensive benchmarking experiments, we showcase the utility of text attributes in heterophilic graphs, analyze the challenges posed by heterophilic TAGs and the limitations of existing models, and provide insights into the interplay between graph structures and textual attributes. We have publicly released HeTGB with baseline implementations to facilitate further research in this field.