Graph Anomaly Detection with Noisy Labels by Reinforcement Learning

Graph anomaly detection (GAD) has been widely applied in many areas, e.g., fraud detection in finance and robot accounts in social networks. Existing methods are dedicated to identifying the outlier nodes that deviate from normal ones. While they heavily rely on high-quality annotation, which is hard to obtain in real-world scenarios, this could lead to severely degraded performance based on noisy labels. Thus, we are motivated to cut the edges of suspicious nodes to alleviate the impact of noise. However, it remains difficult to precisely identify the nodes with noisy labels. Moreover, it is hard to quantitatively evaluate the regret of cutting the edges, which may have either positive or negative influences. To this end, we propose a novel framework REGAD, i.e., REinforced Graph Anomaly Detector. Specifically, we aim to maximize the performance improvement (AUC) of a base detector by cutting noisy edges approximated through the nodes with high-confidence labels. (i) We design a tailored action and search space to train a policy network to carefully prune edges step by step, where only a few suspicious edges are prioritized in each step. (ii) We design a policy-in-the-loop mechanism to iteratively optimize the policy based on the feedback from base detector. The overall performance is evaluated by the cumulative rewards. Extensive experiments are conducted on three datasets under different anomaly ratios. The results indicate the superior performance of our proposed REGAD.

From Theory to Therapy: Reframing SBDD Model Evaluation via Practical Metrics

Recent advancements in structure-based drug design (SBDD) have significantly enhanced the efficiency and precision of drug discovery by generating molecules tailored to bind specific protein pockets. Despite these technological strides, their practical application in real-world drug development remains challenging due to the complexities of synthesizing and testing these molecules. The reliability of the Vina docking score, the current standard for assessing binding abilities, is increasingly questioned due to its susceptibility to overfitting. To address these limitations, we propose a comprehensive evaluation framework that includes assessing the similarity of generated molecules to known active compounds, introducing a virtual screening-based metric for practical deployment capabilities, and re-evaluating binding affinity more rigorously. Our experiments reveal that while current SBDD models achieve high Vina scores, they fall short in practical usability metrics, highlighting a significant gap between theoretical predictions and real-world applicability. Our proposed metrics and dataset aim to bridge this gap, enhancing the practical applicability of future SBDD models and aligning them more closely with the needs of pharmaceutical research and development.

Next-Generation Database Interfaces: A Survey of LLM-based Text-to-SQL

Generating accurate SQL according to natural language questions (text-to-SQL) is a long-standing problem since it is challenging in user question understanding, database schema comprehension, and SQL generation. Conventional text-to-SQL systems include human engineering and deep neural networks. Subsequently, pre-trained language models (PLMs) have been developed and utilized for text-to-SQL tasks, achieving promising performance. As modern databases become more complex and corresponding user questions more challenging, PLMs with limited comprehension capabilities can lead to incorrect SQL generation. This necessitates more sophisticated and tailored optimization methods, which, in turn, restricts the applications of PLM-based systems. Most recently, large language models (LLMs) have demonstrated significant abilities in natural language understanding as the model scale remains increasing. Therefore, integrating the LLM-based implementation can bring unique opportunities, challenges, and solutions to text-to-SQL research. In this survey, we present a comprehensive review of LLM-based text-to-SQL. Specifically, we propose a brief overview of the current challenges and the evolutionary process of text-to-SQL. Then, we provide a detailed introduction to the datasets and metrics designed to evaluate text-to-SQL systems. After that, we present a systematic analysis of recent advances in LLM-based text-to-SQL. Finally, we discuss the remaining challenges in this field and propose expectations for future directions.

Denoising-Aware Contrastive Learning for Noisy Time Series

Time series self-supervised learning (SSL) aims to exploit unlabeled data for pre-training to mitigate the reliance on labels. Despite the great success in recent years, there is limited discussion on the potential noise in the time series, which can severely impair the performance of existing SSL methods. To mitigate the noise, the de facto strategy is to apply conventional denoising methods before model training. However, this pre-processing approach may not fully eliminate the effect of noise in SSL for two reasons: (i) the diverse types of noise in time series make it difficult to automatically determine suitable denoising methods; (ii) noise can be amplified after mapping raw data into latent space. In this paper, we propose denoising-aware contrastive learning (DECL), which uses contrastive learning objectives to mitigate the noise in the representation and automatically selects suitable denoising methods for every sample. Extensive experiments on various datasets verify the effectiveness of our method. The code is open-sourced.

Logical Reasoning with Relation Network for Inductive Knowledge Graph Completion

Inductive knowledge graph completion (KGC) aims to infer the missing relation for a set of newly-coming entities that never appeared in the training set. Such a setting is more in line with reality, as real-world KGs are constantly evolving and introducing new knowledge. Recent studies have shown promising results using message passing over subgraphs to embed newly-coming entities for inductive KGC. However, the inductive capability of these methods is usually limited by two key issues. (i) KGC always suffers from data sparsity, and the situation is even exacerbated in inductive KGC where new entities often have few or no connections to the original KG. (ii) Cold-start problem. It is over coarse-grained for accurate KG reasoning to generate representations for new entities by gathering the local information from few neighbors. To this end, we propose a novel iNfOmax RelAtion Network, namely NORAN, for inductive KG completion. It aims to mine latent relation patterns for inductive KG completion. Specifically, by centering on relations, NORAN provides a hyper view towards KG modeling, where the correlations between relations can be naturally captured as entity-independent logical evidence to conduct inductive KGC. Extensive experiment results on five benchmarks show that our framework substantially outperforms the state-of-the-art KGC methods.

Entity Alignment with Noisy Annotations from Large Language Models

Entity alignment (EA) aims to merge two knowledge graphs (KGs) by identifying equivalent entity pairs. While existing methods heavily rely on human-generated labels, it is prohibitively expensive to incorporate cross-domain experts for annotation in real-world scenarios. The advent of Large Language Models (LLMs) presents new avenues for automating EA with annotations, inspired by their comprehensive capability to process semantic information. However, it is nontrivial to directly apply LLMs for EA since the annotation space in real-world KGs is large. LLMs could also generate noisy labels that may mislead the alignment. To this end, we propose a unified framework, LLM4EA, to effectively leverage LLMs for EA. Specifically, we design a novel active learning policy to significantly reduce the annotation space by prioritizing the most valuable entities based on the entire inter-KG and intra-KG structure. Moreover, we introduce an unsupervised label refiner to continuously enhance label accuracy through in-depth probabilistic reasoning. We iteratively optimize the policy based on the feedback from a base EA model. Extensive experiments demonstrate the advantages of LLM4EA on four benchmark datasets in terms of effectiveness, robustness, and efficiency. Codes are available via https://github.com/chensyCN/llm4ea_official.

Cost-efficient Knowledge-based Question Answering with Large Language Models

Knowledge-based question answering (KBQA) is widely used in many scenarios that necessitate domain knowledge. Large language models (LLMs) bring opportunities to KBQA, while their costs are significantly higher and absence of domain-specific knowledge during pre-training. We are motivated to combine LLMs and prior small models on knowledge graphs (KGMs) for both inferential accuracy and cost saving. However, it remains challenging since accuracy and cost are not readily combined in the optimization as two distinct metrics. It is also laborious for model selection since different models excel in diverse knowledge. To this end, we propose Coke, a novel cost-efficient strategy for KBQA with LLMs, modeled as a tailored multi-armed bandit problem to minimize calls to LLMs within limited budgets. We first formulate the accuracy expectation with a cluster-level Thompson Sampling for either KGMs or LLMs. A context-aware policy is optimized to further distinguish the expert model subject to the question semantics. The overall decision is bounded by the cost regret according to historical expenditure on failures. Extensive experiments showcase the superior performance of Coke, which moves the Pareto frontier with up to 20.89% saving of GPT-4 fees while achieving a 2.74% higher accuracy on the benchmark datasets.

Configurable Mirror Descent: Towards a Unification of Decision Making

Decision-making problems, categorized as single-agent, e.g., Atari, cooperative multi-agent, e.g., Hanabi, competitive multi-agent, e.g., Hold'em poker, and mixed cooperative and competitive, e.g., football, are ubiquitous in the real world. Various methods are proposed to address the specific decision-making problems. Despite the successes in specific categories, these methods typically evolve independently and cannot generalize to other categories. Therefore, a fundamental question for decision-making is: \emph{Can we develop \textbf{a single algorithm} to tackle \textbf{ALL} categories of decision-making problems?} There are several main challenges to address this question: i) different decision-making categories involve different numbers of agents and different relationships between agents, ii) different categories have different solution concepts and evaluation measures, and iii) there lacks a comprehensive benchmark covering all the categories. This work presents a preliminary attempt to address the question with three main contributions. i) We propose the generalized mirror descent (GMD), a generalization of MD variants, which considers multiple historical policies and works with a broader class of Bregman divergences. ii) We propose the configurable mirror descent (CMD) where a meta-controller is introduced to dynamically adjust the hyper-parameters in GMD conditional on the evaluation measures. iii) We construct the \textsc{GameBench} with 15 academic-friendly games across different decision-making categories. Extensive experiments demonstrate that CMD achieves empirically competitive or better outcomes compared to baselines while providing the capability of exploring diverse dimensions of decision making.

Self-adaptive PSRO: Towards an Automatic Population-based Game Solver

Policy-Space Response Oracles (PSRO) as a general algorithmic framework has achieved state-of-the-art performance in learning equilibrium policies of two-player zero-sum games. However, the hand-crafted hyperparameter value selection in most of the existing works requires extensive domain knowledge, forming the main barrier to applying PSRO to different games. In this work, we make the first attempt to investigate the possibility of self-adaptively determining the optimal hyperparameter values in the PSRO framework. Our contributions are three-fold: (1) Using several hyperparameters, we propose a parametric PSRO that unifies the gradient descent ascent (GDA) and different PSRO variants. (2) We propose the self-adaptive PSRO (SPSRO) by casting the hyperparameter value selection of the parametric PSRO as a hyperparameter optimization (HPO) problem where our objective is to learn an HPO policy that can self-adaptively determine the optimal hyperparameter values during the running of the parametric PSRO. (3) To overcome the poor performance of online HPO methods, we propose a novel offline HPO approach to optimize the HPO policy based on the Transformer architecture. Experiments on various two-player zero-sum games demonstrate the superiority of SPSRO over different baselines.

Modality-Aware Integration with Large Language Models for Knowledge-based Visual Question Answering

Knowledge-based visual question answering (KVQA) has been extensively studied to answer visual questions with external knowledge, e.g., knowledge graphs (KGs). While several attempts have been proposed to leverage large language models (LLMs) as an implicit knowledge source, it remains challenging since LLMs may generate hallucinations. Moreover, multiple knowledge sources, e.g., images, KGs and LLMs, cannot be readily aligned for complex scenarios. To tackle these, we present a novel modality-aware integration with LLMs for KVQA (MAIL). It carefully leverages multimodal knowledge for both image understanding and knowledge reasoning. Specifically, (i) we propose a two-stage prompting strategy with LLMs to densely embody the image into a scene graph with detailed visual features; (ii) We construct a coupled concept graph by linking the mentioned entities with external facts. (iii) A tailored pseudo-siamese graph medium fusion is designed for sufficient multimodal fusion. We utilize the shared mentioned entities in two graphs as mediums to bridge a tight inter-modal exchange, while maximally preserving insightful intra-modal learning by constraining the fusion within mediums. Extensive experiments on two benchmark datasets show the superiority of MAIL with 24x less resources.