Abstract:Range-filtered approximate nearest neighbor search (RFANNS) is an important primitive for vector databases; it retrieves vectors that are similar to a query and satisfy a numerical range predicate, but existing RFANNS indexes expose vectors, attributes, and queries in plaintext. This assumption is unsuitable for outsourced vector databases, where sensitive data and queries must be protected from an honest-but-curious cloud server. To the best of our knowledge, this is the first study that systematically formulates and evaluates privacy-preserving RFANNS over outsourced encrypted vector databases. Our approach separates range localization from encrypted vector search: an authorized user maps the query range to a compact set of nodes in a local N-ary attribute tree, and the server searches only the corresponding proximity graph sub-indices over encrypted vectors. To reduce expensive encrypted comparisons, we use a filter-and-refine pipeline that first retrieves coarse candidates with approximate distance-comparison-preserving encryption and then reranks a small candidate set with exact distance-comparison encryption. We then analyze the computation, storage, communication, and leakage of the protocol. Experiments on four widely used vector datasets show that our method improves the QPS-Recall trade-off over representative secure adaptations of existing RFANNS approaches, scaling effectively to large datasets.
Abstract:Coreset selection reduces the cost of model training by replacing a large training set with a small representative subset. Existing gradient-approximation coreset methods such as CRAIG and cluster-based variants can preserve model accuracy. Still, their selection stages often rely on dense pairwise distances or large item-cluster bound matrices, leading to high time and memory costs on large datasets. This paper proposes KNNG-CS, a lightweight coreset selection method based on a $K$-nearest neighbor graph. KNNG-CS exploits local neighborhood structures to estimate the importance of each data item and greedily selects representative nodes without maintaining a quadratic distance matrix. The method requires only linear storage in the number of edges. Experiments on four real-world datasets show that KNNG-CS achieves accuracy comparable to representative gradient-approximation coreset methods, while reducing selection time by $2.3\times$-$41.2\times$ and peak memory to $0.3\%$-$7.5\%$ of the baselines.
Abstract:Range-filtering approximate nearest neighbor search (RFANNS) is a fundamental operation in modern vector databases. Given a query vector $q$ and a numerical range predicate, RFANNS returns the $k$-approximate nearest neighbors ($k$-ANN) of the query $q$ among the objects whose attributes satisfy the range predicate. However, existing RFANNS methods are not well suited to high-throughput GPU execution. CPU indexes offer limited parallel scalability, generic GPU filtering is highly selectivity-dependent, and GPU indexes built from locally optimized subgraphs can incur long search trajectories and redundant distance computations. To address these limitations, we present FROG, a GPU-oriented RFANNS index that replaces multiple locally optimal substructure building with a globally aware, vertex-centric design. It organizes diverse expansion neighbor candidates for each vertex in a GPU-friendly structure and rapidly identifies the expansion neighbors used for computation at query time. Moreover, GPU-oriented algorithms and implementations are developed for both index construction and query processing. Experiments on six datasets show that FROG improves mixed-selectivity query throughput by 14.7--37.7$\times$ over 44-core CPU baselines and 4.5--7.6$\times$ over the strongest GPU baseline. It also accelerates index construction by 2.4--14.8$\times$ over the GPU baseline.
Abstract:Approximate nearest neighbor (ANN) search with range filters has recently garnered significant attention. This paper delves into a generalized form of this problem, i.e., ANN search with exact range-range (RR) predicates on a range-valued attribute, named RR filtering ANN (RRANN). Specifically, given $n$ vectors in $\mathbb{R}^d$, each vector $v_i$ is associated with a numeric range $[l_i, r_i]$, symbolizing aspects like a price range or time interval. An RRANN query $(v_q, l_q, r_q)$ aims at finding $k$ vectors closest to $v_q$ within the vectors satisfying an arbitrary RR predicate defined between the query range $[l_q, r_q]$ and the object range $[l_i, r_i]$. The RR predicate remains unspecified, enabling user-defined conditions. It may encompass containment ($[l_i, r_i] \subseteq [l_q, r_q]$ or $[l_q, r_q] \subseteq [l_i, r_i]$), overlap ($l_i \le l_q \le r_i \le r_q$ or $l_q \le l_i \le r_q \le r_i$), or a disjunction of them. RRANN has broad applications in queries related to price ranges or time intervals, and it generalizes existing variants of ANN search with range filters. However, existing dedicated approaches for these problems lack the capacity to support queries with arbitrary RR predicates. Hence, we introduce a new approach, labeled multi-segment tree graph. It efficiently handles arbitrary RR predicates by avoiding traversal through non-predicate-satisfied nodes, and keeps equivalent index size and construction time to state-of-the-art methods for RFANN. Extensive experiments on real-world data demonstrate the efficacy of our approach in RRANN queries, achieving up to 12.5x speedups with the same accuracy as the baselines. Moreover, our approach attains comparable RFANN search performance and notably superior IFANN and TSANN search performance compared to the respective state-of-the-art approaches. Our code is available at https://github.com/FanEDG/MSTG.
Abstract:Large language models (LLMs) are increasingly used for semantic query processing over large corpora. A set of semantic operators derived from relational algebra has been proposed to provide a unified interface for expressing such queries, among which the semantic filter operator serves as a cornerstone. Given a table T with a natural language predicate e, for each tuple in the relation, the execution of a semantic filter proceeds by constructing an input prompt that combines the predicate e with its content, querying the LLM, and obtaining the binary decision. However, this tuple-by-tuple evaluation necessitates a complete linear scan of the table, incurring prohibitive latency and token costs. Although recent work has attempted to optimize semantic filtering, it still does not break the linear LLM invocation barriers. To address this, we propose Clustering-Sampling-Voting (CSV), a new framework that reduces LLM invocations to sublinear complexity while providing error guarantees. CSV embeds tuples into semantic clusters, samples a small subset for LLM evaluation, and infers cluster-level labels via two proposed voting strategies: UniVote, which aggregates labels uniformly, and SimVote, which weights votes by semantic similarity. Moreover, CSV triggers re-clustering on ambiguous clusters to ensure robustness across diverse datasets. The results conducted on real-world datasets demonstrate that CSV reduces the number of LLM calls by 1.28-355x compared to the state-of-the-art approaches, while maintaining comparable effectiveness in terms of Accuracy and F1 score.
Abstract:Nowadays, real-world data, including graph-structure data, often arrives in a streaming manner, which means that learning systems need to continuously acquire new knowledge without forgetting previously learned information. Although substantial existing works attempt to address catastrophic forgetting in graph machine learning, they are all based on training from scratch with streaming data. With the rise of pretrained models, an increasing number of studies have leveraged their strong generalization ability for continual learning. Therefore, in this work, we attempt to answer whether large language models (LLMs) can mitigate catastrophic forgetting in Graph Continual Learning (GCL). We first point out that current experimental setups for GCL have significant flaws, as the evaluation stage may lead to task ID leakage. Then, we evaluate the performance of LLMs in more realistic scenarios and find that even minor modifications can lead to outstanding results. Finally, based on extensive experiments, we propose a simple-yet-effective method, Simple Graph Continual Learning (SimGCL), that surpasses the previous state-of-the-art GNN-based baseline by around 20% under the rehearsal-free constraint. To facilitate reproducibility, we have developed an easy-to-use benchmark LLM4GCL for training and evaluating existing GCL methods. The code is available at: https://github.com/ZhixunLEE/LLM4GCL.




Abstract:Materials are the foundation of modern society, underpinning advancements in energy, electronics, healthcare, transportation, and infrastructure. The ability to discover and design new materials with tailored properties is critical to solving some of the most pressing global challenges. In recent years, the growing availability of high-quality materials data combined with rapid advances in Artificial Intelligence (AI) has opened new opportunities for accelerating materials discovery. Data-driven generative models provide a powerful tool for materials design by directly create novel materials that satisfy predefined property requirements. Despite the proliferation of related work, there remains a notable lack of up-to-date and systematic surveys in this area. To fill this gap, this paper provides a comprehensive overview of recent progress in AI-driven materials generation. We first organize various types of materials and illustrate multiple representations of crystalline materials. We then provide a detailed summary and taxonomy of current AI-driven materials generation approaches. Furthermore, we discuss the common evaluation metrics and summarize open-source codes and benchmark datasets. Finally, we conclude with potential future directions and challenges in this fast-growing field. The related sources can be found at https://github.com/ZhixunLEE/Awesome-AI-for-Materials-Generation.




Abstract:Graph Neural Networks (GNNs) have achieved great success in dealing with non-Euclidean graph-structured data and have been widely deployed in many real-world applications. However, their effectiveness is often jeopardized under class-imbalanced training sets. Most existing studies have analyzed class-imbalanced node classification from a supervised learning perspective, but they do not fully utilize the large number of unlabeled nodes in semi-supervised scenarios. We claim that the supervised signal is just the tip of the iceberg and a large number of unlabeled nodes have not yet been effectively utilized. In this work, we propose IceBerg, a debiased self-training framework to address the class-imbalanced and few-shot challenges for GNNs at the same time. Specifically, to figure out the Matthew effect and label distribution shift in self-training, we propose Double Balancing, which can largely improve the performance of existing baselines with just a few lines of code as a simple plug-and-play module. Secondly, to enhance the long-range propagation capability of GNNs, we disentangle the propagation and transformation operations of GNNs. Therefore, the weak supervision signals can propagate more effectively to address the few-shot issue. In summary, we find that leveraging unlabeled nodes can significantly enhance the performance of GNNs in class-imbalanced and few-shot scenarios, and even small, surgical modifications can lead to substantial performance improvements. Systematic experiments on benchmark datasets show that our method can deliver considerable performance gain over existing class-imbalanced node classification baselines. Additionally, due to IceBerg's outstanding ability to leverage unsupervised signals, it also achieves state-of-the-art results in few-shot node classification scenarios. The code of IceBerg is available at: https://github.com/ZhixunLEE/IceBerg.
Abstract:Query-driven learned estimators are accurate, flexible, and lightweight alternatives to traditional estimators in query optimization. However, existing query-driven approaches struggle with the Out-of-distribution (OOD) problem, where the test workload distribution differs from the training workload, leading to performancedegradation. In this paper, we present CardOOD, a general learning framework designed to construct robust query-driven cardinality estimators that are resilient against the OOD problem. Our framework focuses on offline training algorithms that develop one-off models from a static workload, suitable for model initialization and periodic retraining. In CardOOD, we extend classical transfer/robust learning techniques to train query-driven cardinalityestimators, and the algorithms fall into three categories: representation learning, data manipulation, and new learning strategies. As these learning techniques are originally evaluated in computervision tasks, we also propose a new learning algorithm that exploits the property of cardinality estimation. This algorithm, lying in the category of new learning strategy, models the partial order constraint of cardinalities by a self-supervised learning task. Comprehensive experimental studies demonstrate the efficacy of the algorithms of CardOOD in mitigating the OOD problem to varying extents. We further integrate CardOOD into PostgreSQL, showcasing its practical utility in query optimization.




Abstract:Recent advancements in large language model (LLM)-powered agents have shown that collective intelligence can significantly outperform individual capabilities, largely attributed to the meticulously designed inter-agent communication topologies. Though impressive in performance, existing multi-agent pipelines inherently introduce substantial token overhead, as well as increased economic costs, which pose challenges for their large-scale deployments. In response to this challenge, we propose an economical, simple, and robust multi-agent communication framework, termed $\texttt{AgentPrune}$, which can seamlessly integrate into mainstream multi-agent systems and prunes redundant or even malicious communication messages. Technically, $\texttt{AgentPrune}$ is the first to identify and formally define the \textit{communication redundancy} issue present in current LLM-based multi-agent pipelines, and efficiently performs one-shot pruning on the spatial-temporal message-passing graph, yielding a token-economic and high-performing communication topology. Extensive experiments across six benchmarks demonstrate that $\texttt{AgentPrune}$ \textbf{(I)} achieves comparable results as state-of-the-art topologies at merely $\$5.6$ cost compared to their $\$43.7$, \textbf{(II)} integrates seamlessly into existing multi-agent frameworks with $28.1\%\sim72.8\%\downarrow$ token reduction, and \textbf{(III)} successfully defend against two types of agent-based adversarial attacks with $3.5\%\sim10.8\%\uparrow$ performance boost.