One Model for One Graph: A New Perspective for Pretraining with Cross-domain Graphs

Graph Neural Networks (GNNs) have emerged as a powerful tool to capture intricate network patterns, achieving success across different domains. However, existing GNNs require careful domain-specific architecture designs and training from scratch on each dataset, leading to an expertise-intensive process with difficulty in generalizing across graphs from different domains. Therefore, it can be hard for practitioners to infer which GNN model can generalize well to graphs from their domains. To address this challenge, we propose a novel cross-domain pretraining framework, "one model for one graph," which overcomes the limitations of previous approaches that failed to use a single GNN to capture diverse graph patterns across domains with significant gaps. Specifically, we pretrain a bank of expert models, with each one corresponding to a specific dataset. When inferring to a new graph, gating functions choose a subset of experts to effectively integrate prior model knowledge while avoiding negative transfer. Extensive experiments consistently demonstrate the superiority of our proposed method on both link prediction and node classification tasks.

MolReFlect: Towards In-Context Fine-grained Alignments between Molecules and Texts

Molecule discovery is a pivotal research field, impacting everything from the medicines we take to the materials we use. Recently, Large Language Models (LLMs) have been widely adopted in molecule understanding and generation, yet the alignments between molecules and their corresponding captions remain a significant challenge. Previous endeavours often treat the molecule as a general SMILES string or molecular graph, neglecting the fine-grained alignments between the molecular sub-structures and the descriptive textual phrases, which are crucial for accurate and explainable predictions. In this case, we introduce MolReFlect, a novel teacher-student framework designed to contextually perform the molecule-caption alignments in a fine-grained way. Our approach initially leverages a larger teacher LLM to label the detailed alignments by directly extracting critical phrases from molecule captions or SMILES strings and implying them to corresponding sub-structures or characteristics. To refine these alignments, we propose In-Context Selective Reflection, which retrieves previous extraction results as context examples for teacher LLM to reflect and lets a smaller student LLM select from in-context reflection and previous extraction results. Finally, we enhance the learning process of the student LLM through Chain-of-Thought In-Context Molecule Tuning, integrating the fine-grained alignments and the reasoning processes within the Chain-of-Thought format. Our experimental results demonstrate that MolReFlect enables LLMs like Mistral-7B to significantly outperform the previous baselines, achieving SOTA performance on the ChEBI-20 dataset. This advancement not only enhances the generative capabilities of LLMs in the molecule-caption translation task, but also contributes to a more explainable framework.

LinRec: Linear Attention Mechanism for Long-term Sequential Recommender Systems

Transformer models have achieved remarkable success in sequential recommender systems (SRSs). However, computing the attention matrix in traditional dot-product attention mechanisms results in a quadratic complexity with sequence lengths, leading to high computational costs for long-term sequential recommendation. Motivated by the above observation, we propose a novel L2-Normalized Linear Attention for the Transformer-based Sequential Recommender Systems (LinRec), which theoretically improves efficiency while preserving the learning capabilities of the traditional dot-product attention. Specifically, by thoroughly examining the equivalence conditions of efficient attention mechanisms, we show that LinRec possesses linear complexity while preserving the property of attention mechanisms. In addition, we reveal its latent efficiency properties by interpreting the proposed LinRec mechanism through a statistical lens. Extensive experiments are conducted based on two public benchmark datasets, demonstrating that the combination of LinRec and Transformer models achieves comparable or even superior performance than state-of-the-art Transformer-based SRS models while significantly improving time and memory efficiency.

How Do Large Language Models Understand Graph Patterns? A Benchmark for Graph Pattern Comprehension

Benchmarking the capabilities and limitations of large language models (LLMs) in graph-related tasks is becoming an increasingly popular and crucial area of research. Recent studies have shown that LLMs exhibit a preliminary ability to understand graph structures and node features. However, the potential of LLMs in graph pattern mining remains largely unexplored. This is a key component in fields such as computational chemistry, biology, and social network analysis. To bridge this gap, this work introduces a comprehensive benchmark to assess LLMs' capabilities in graph pattern tasks. We have developed a benchmark that evaluates whether LLMs can understand graph patterns based on either terminological or topological descriptions. Additionally, our benchmark tests the LLMs' capacity to autonomously discover graph patterns from data. The benchmark encompasses both synthetic and real datasets, and a variety of models, with a total of 11 tasks and 7 models. Our experimental framework is designed for easy expansion to accommodate new models and datasets. Our findings reveal that: (1) LLMs have preliminary abilities to understand graph patterns, with O1-mini outperforming in the majority of tasks; (2) Formatting input data to align with the knowledge acquired during pretraining can enhance performance; (3) The strategies employed by LLMs may differ from those used in conventional algorithms.

Sub-graph Based Diffusion Model for Link Prediction

Denoising Diffusion Probabilistic Models (DDPMs) represent a contemporary class of generative models with exceptional qualities in both synthesis and maximizing the data likelihood. These models work by traversing a forward Markov Chain where data is perturbed, followed by a reverse process where a neural network learns to undo the perturbations and recover the original data. There have been increasing efforts exploring the applications of DDPMs in the graph domain. However, most of them have focused on the generative perspective. In this paper, we aim to build a novel generative model for link prediction. In particular, we treat link prediction between a pair of nodes as a conditional likelihood estimation of its enclosing sub-graph. With a dedicated design to decompose the likelihood estimation process via the Bayesian formula, we are able to separate the estimation of sub-graph structure and its node features. Such designs allow our model to simultaneously enjoy the advantages of inductive learning and the strong generalization capability. Remarkably, comprehensive experiments across various datasets validate that our proposed method presents numerous advantages: (1) transferability across datasets without retraining, (2) promising generalization on limited training data, and (3) robustness against graph adversarial attacks.

SSD4Rec: A Structured State Space Duality Model for Efficient Sequential Recommendation

Sequential recommendation methods are crucial in modern recommender systems for their remarkable capability to understand a user's changing interests based on past interactions. However, a significant challenge faced by current methods (e.g., RNN- or Transformer-based models) is to effectively and efficiently capture users' preferences by modeling long behavior sequences, which impedes their various applications like short video platforms where user interactions are numerous. Recently, an emerging architecture named Mamba, built on state space models (SSM) with efficient hardware-aware designs, has showcased the tremendous potential for sequence modeling, presenting a compelling avenue for addressing the challenge effectively. Inspired by this, we propose a novel generic and efficient sequential recommendation backbone, SSD4Rec, which explores the seamless adaptation of Mamba for sequential recommendations. Specifically, SSD4Rec marks the variable- and long-length item sequences with sequence registers and processes the item representations with bidirectional Structured State Space Duality (SSD) blocks. This not only allows for hardware-aware matrix multiplication but also empowers outstanding capabilities in variable-length and long-range sequence modeling. Extensive evaluations on four benchmark datasets demonstrate that the proposed model achieves state-of-the-art performance while maintaining near-linear scalability with user sequence length. Our code is publicly available at https://github.com/ZhangYifeng1995/SSD4Rec.

MegaFake: A Theory-Driven Dataset of Fake News Generated by Large Language Models

The advent of large language models (LLMs) has revolutionized online content creation, making it much easier to generate high-quality fake news. This misuse threatens the integrity of our digital environment and ethical standards. Therefore, understanding the motivations and mechanisms behind LLM-generated fake news is crucial. In this study, we analyze the creation of fake news from a social psychology perspective and develop a comprehensive LLM-based theoretical framework, LLM-Fake Theory. We introduce a novel pipeline that automates the generation of fake news using LLMs, thereby eliminating the need for manual annotation. Utilizing this pipeline, we create a theoretically informed Machine-generated Fake news dataset, MegaFake, derived from the GossipCop dataset. We conduct comprehensive analyses to evaluate our MegaFake dataset. We believe that our dataset and insights will provide valuable contributions to future research focused on the detection and governance of fake news in the era of LLMs.

Joint Universal Adversarial Perturbations with Interpretations

Deep neural networks (DNNs) have significantly boosted the performance of many challenging tasks. Despite the great development, DNNs have also exposed their vulnerability. Recent studies have shown that adversaries can manipulate the predictions of DNNs by adding a universal adversarial perturbation (UAP) to benign samples. On the other hand, increasing efforts have been made to help users understand and explain the inner working of DNNs by highlighting the most informative parts (i.e., attribution maps) of samples with respect to their predictions. Moreover, we first empirically find that such attribution maps between benign and adversarial examples have a significant discrepancy, which has the potential to detect universal adversarial perturbations for defending against adversarial attacks. This finding motivates us to further investigate a new research problem: whether there exist universal adversarial perturbations that are able to jointly attack DNNs classifier and its interpretation with malicious desires. It is challenging to give an explicit answer since these two objectives are seemingly conflicting. In this paper, we propose a novel attacking framework to generate joint universal adversarial perturbations (JUAP), which can fool the DNNs model and misguide the inspection from interpreters simultaneously. Comprehensive experiments on various datasets demonstrate the effectiveness of the proposed method JUAP for joint attacks. To the best of our knowledge, this is the first effort to study UAP for jointly attacking both DNNs and interpretations.

A Survey of Mamba

Deep learning, as a vital technique, has sparked a notable revolution in artificial intelligence. As the most representative architecture, Transformers have empowered numerous advanced models, especially the large language models that comprise billions of parameters, becoming a cornerstone in deep learning. Despite the impressive achievements, Transformers still face inherent limitations, particularly the time-consuming inference resulting from the quadratic computation complexity of attention calculation. Recently, a novel architecture named Mamba, drawing inspiration from classical state space models, has emerged as a promising alternative for building foundation models, delivering comparable modeling abilities to Transformers while preserving near-linear scalability concerning sequence length. This has sparked an increasing number of studies actively exploring Mamba's potential to achieve impressive performance across diverse domains. Given such rapid evolution, there is a critical need for a systematic review that consolidates existing Mamba-empowered models, offering a comprehensive understanding of this emerging model architecture. In this survey, we therefore conduct an in-depth investigation of recent Mamba-associated studies, covering from three main aspects: the advancements of Mamba-based models, the techniques of adapting Mamba to diverse data, and the applications where Mamba can excel. Specifically, we first recall the foundational knowledge of various representative deep learning models and the details of Mamba as preliminaries. Then, to showcase the significance of Mamba, we comprehensively review the related studies focusing on Mamba models' architecture design, data adaptability, and applications. Finally, we present an discussion of current limitations and explore various promising research directions to provide deeper insights for future investigations.

Multi-Level Querying using A Knowledge Pyramid

This paper addresses the need for improved precision in existing Retrieval-Augmented Generation (RAG) methods that primarily focus on enhancing recall. We propose a multi-layer knowledge pyramid approach within the RAG framework to achieve a better balance between precision and recall. The knowledge pyramid consists of three layers: Ontologies, Knowledge Graphs (KGs), and chunk-based raw text. We employ cross-layer augmentation techniques for comprehensive knowledge coverage and dynamic updates of the Ontology schema and instances. To ensure compactness, we utilize cross-layer filtering methods for knowledge condensation in KGs. Our approach, named PolyRAG, follows a waterfall model for retrieval, starting from the top of the pyramid and progressing down until a confident answer is obtained. We introduce two benchmarks for domain-specific knowledge retrieval, one in the academic domain and the other in the financial domain. The effectiveness of the methods has been validated through comprehensive experiments by outperforming 19 SOTA methods. An encouraging observation is that the proposed method has augmented the GPT-4, providing 395\% F1 gain by improving its performance from 0.1636 to 0.8109.