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Generative Semi-supervised Graph Anomaly Detection

Neural Information Processing Systems

This work considers a practical semi-supervised graph anomaly detection (GAD) scenario, where part of the nodes in a graph are known to be normal, contrasting to the extensively explored unsupervised setting with a fully unlabeled graph. We reveal that having access to the normal nodes, even just a small percentage of normal nodes, helps enhance the detection performance of existing unsupervised GAD methods when they are adapted to the semi-supervised setting. However, their utilization of these normal nodes is limited. In this paper we propose a novel Generative GAD approach (namely GGAD) for the semi-supervised scenario to better exploit the normal nodes. The key idea is to generate pseudo anomaly nodes, referred to as outlier nodes, for providing effective negative node samples in training a discriminative one-class classifier. The main challenge here lies in the lack of ground truth information about real anomaly nodes. To address this challenge, GGAD is designed to leverage two important priors about the anomaly nodes - asymmetric local affinity and egocentric closeness - to generate reliable outlier nodes that assimilate anomaly nodes in both graph structure and feature representations. Comprehensive experiments on six real-world GAD datasets are performed to establish a benchmark for semi-supervised GAD and show that GGAD substantially outperforms state-of-the-art unsupervised and semi-supervised GAD methods with varying numbers of training normal nodes. Code is available at https://github.com/mala-lab/GGAD.


Star-Agents: Automatic Data Optimization with LLM Agents for Instruction Tuning

Neural Information Processing Systems

The efficacy of large language models (LLMs) on downstream tasks usually hinges on instruction tuning, which relies critically on the quality of training data. Unfortunately, collecting high-quality and diverse data is both expensive and timeconsuming. To mitigate this issue, we propose a novel Star-Agents framework, which automates the enhancement of data quality across datasets through multiagent collaboration and assessment. The framework adopts a three-pronged strategy. It initially generates diverse instruction data with multiple LLM agents through a bespoke sampling method. Subsequently, the generated data undergo a rigorous evaluation using a dual-model method that assesses both difficulty and quality. Finaly, the above process evolves in a dynamic refinement phase, where more effective LLMs are prioritized, enhancing the overall data quality. Our empirical studies, including instruction tuning experiments with models such as Pythia and LLaMA, demonstrate the effectiveness of the proposed framework. Optimized datasets have achieved substantial improvements, with an average increase of 12% and notable gains in specific metrics, such as a 40% improvement in Fermi, as evidenced by benchmarks like MT-bench, Vicuna bench, and WizardLM testset.


TaskBench: Benchmarking Large Language Models for Task Automation

Neural Information Processing Systems

In recent years, the remarkable progress of large language models (LLMs) has sparked interest in task automation, which involves decomposing complex tasks described by user instructions into sub-tasks and invoking external tools to execute them, playing a central role in autonomous agents. However, there is a lack of systematic and standardized benchmarks to promote the development of LLMs in task automation.


Encoder

Neural Information Processing Systems

Deep learning-based methods significantly advance the exploration of associations among triple-wise biological entities (e.g., drug-target protein-adverse reaction), thereby facilitating drug discovery and safeguarding human health. However, existing researches only focus on entity-centric information mapping and aggregation, neglecting the crucial role of potential association patterns among different entities. To address the above limitation, we propose a novel association pattern-aware fusion method for biological entity relationship prediction, which effectively integrates the related association pattern information into entity representation learning. Additionally, to enhance the missing information of the low-order message passing, we devise a bind-relation module that considers the strong bind of low-order entity associations. Extensive experiments conducted on three biological datasets quantitatively demonstrate that the proposed method achieves about 4%-23% hit@1 improvements compared with state-of-the-art baselines. Furthermore, the interpretability of association patterns is elucidated in detail, thus revealing the intrinsic biological mechanisms and promoting it to be deployed in real-world scenarios.


LAM3D: Large Image-Point-Cloud Alignment Model for 3D Reconstruction from Single Image 2

Neural Information Processing Systems

Large Reconstruction Models have made significant strides in the realm of automated 3D content generation from single or multiple input images. Despite their success, these models often produce 3D meshes with geometric inaccuracies, stemming from the inherent challenges of deducing 3D shapes solely from image data. In this work, we introduce a novel framework, the Large Image and Point Cloud Alignment Model (LAM3D), which utilizes 3D point cloud data to enhance the fidelity of generated 3D meshes. Our methodology begins with the development of a point-cloud-based network that effectively generates precise and meaningful latent tri-planes, laying the groundwork for accurate 3D mesh reconstruction. Building upon this, our Image-Point-Cloud Feature Alignment technique processes a single input image, aligning to the latent tri-planes to imbue image features with robust 3D information.


Explicit Eigenvalue Regularization Improves Sharpness-Aware Minimization

Neural Information Processing Systems

Sharpness-Aware Minimization (SAM) has attracted significant attention for its effectiveness in improving generalization across various tasks. However, its underlying principles remain poorly understood. In this work, we analyze SAM's training dynamics using the maximum eigenvalue of the Hessian as a measure of sharpness and propose a third-order stochastic differential equation (SDE), which reveals that the dynamics are driven by a complex mixture of second-and thirdorder terms. We show that alignment between the perturbation vector and the top eigenvector is crucial for SAM's effectiveness in regularizing sharpness, but find that this alignment is often inadequate in practice, which limits SAM's efficiency. Building on these insights, we introduce Eigen-SAM, an algorithm that explicitly aims to regularize the top Hessian eigenvalue by aligning the perturbation vector with the leading eigenvector. We validate the effectiveness of our theory and the practical advantages of our proposed approach through comprehensive experiments.


Wisdom of the Crowd Voting: Truthful Aggregation of Voter Information and Preferences

Neural Information Processing Systems

We consider two-alternative elections where voters' preferences depend on a state variable that is not directly observable. Each voter receives a private signal that is correlated to the state variable. Voters may be "contingent" with different preferences in different states; or predetermined with the same preference in every state. In this setting, even if every voter is a contingent voter, agents voting according to their private information need not result in the adoption of the universally preferred alternative, because the signals can be systematically biased. We present an easy-to-deploy mechanism that elicits and aggregates the private signals from the voters, and outputs the alternative that is favored by the majority. In particular, voters truthfully reporting their signals forms a strong Bayes Nash equilibrium (where no coalition of voters can deviate and receive a better outcome).


Stochastic Amortization: A Unified Approach to Accelerate Feature and Data Attribution

Neural Information Processing Systems

Many tasks in explainable machine learning, such as data valuation and feature attribution, perform expensive computation for each data point and are intractable for large datasets. These methods require efficient approximations, and although amortizing the process by learning a network to directly predict the desired output is a promising solution, training such models with exact labels is often infeasible. We therefore explore training amortized models with noisy labels, and we find that this is inexpensive and surprisingly effective. Through theoretical analysis of the label noise and experiments with various models and datasets, we show that this approach tolerates high noise levels and significantly accelerates several feature attribution and data valuation methods, often yielding an order of magnitude speedup over existing approaches.


Revisiting Score Propagation in Graph Out-of-Distribution Detection

Neural Information Processing Systems

The field of graph learning has been substantially advanced by the development of deep learning models, in particular graph neural networks. However, one salient yet largely under-explored challenge is detecting Out-of-Distribution (OOD) nodes on graphs. Prevailing OOD detection techniques developed in other domains like computer vision, do not cater to the interconnected nature of graphs. This work aims to fill this gap by exploring the potential of a simple yet effective method - OOD score propagation, which propagates OOD scores among neighboring nodes along the graph structure. This post hoc solution can be easily integrated with existing OOD scoring functions, showcasing its excellent flexibility and effectiveness in most scenarios. However, the conditions under which score propagation proves beneficial remain not fully elucidated. Our study meticulously derives these conditions and, inspired by this discovery, introduces an innovative edge augmentation strategy with theoretical guarantee. Empirical evaluations affirm the superiority of our proposed method, outperforming strong OOD detection baselines in various scenarios and settings.


Ordering-Based Causal Discovery for Linear and Nonlinear Relations

Neural Information Processing Systems

Identifying causal relations from purely observational data typically requires additional assumptions on relations and/or noise. Most current methods restrict their analysis to datasets that are assumed to have pure linear or nonlinear relations, which is often not reflective of real-world datasets that contain a combination of both. This paper presents CaPS, an ordering-based causal discovery algorithm that effectively handles linear and nonlinear relations. CaPS introduces a novel identification criterion for topological ordering and incorporates the concept of "parent score" during the post-processing optimization stage. These scores quantify the strength of the average causal effect, helping to accelerate the pruning process and correct inaccurate predictions in the pruning step. Experimental results demonstrate that our proposed solutions outperform state-of-the-art baselines on synthetic data with varying ratios of linear and nonlinear relations. The results obtained from real-world data also support the competitiveness of CaPS. Code and datasets are available at https://github.com/E2real/CaPS.