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 Data Mining


Mixture of Link Predictors on Graphs

Neural Information Processing Systems

Link prediction, which aims to forecast unseen connections in graphs, is a fundamental task in graph machine learning. Heuristic methods, leveraging a range of different pairwise measures such as common neighbors and shortest paths, often rival the performance of vanilla Graph Neural Networks (GNNs). Therefore, recent advancements in GNNs for link prediction (GNN4LP) have primarily focused on integrating one or a few types of pairwise information. In this work, we reveal that different node pairs within the same dataset necessitate varied pairwise information for accurate prediction and models that only apply the same pairwise information uniformly could achieve suboptimal performance. As a result, we propose a simple mixture of experts model Link-MoE for link prediction. Link-MoE utilizes various GNNs as experts and strategically selects the appropriate expert for each node pair based on various types of pairwise information. Experimental results across diverse real-world datasets demonstrate substantial performance improvement from Link-MoE. Notably, Link-MoE achieves a relative improvement of 18.71% on the MRR metric for the Pubmed dataset and 9.59% on the Hits@100 metric for the ogbl-ppa dataset, compared to the best baselines. The code is available at https://github.com/ml-ml/Link-MoE/.


Differentially Private Graph Diffusion with Applications in Personalized PageRanks

Neural Information Processing Systems

Graph diffusion, which iteratively propagates real-valued substances among the graph, is used in numerous graph/network-involved applications. However, releasing diffusion vectors may reveal sensitive linking information in the data such as transaction information in financial network data. Protecting the privacy of graph data is challenging due to its interconnected nature. This work proposes a novel graph diffusion framework with edge-level differential privacy guarantees by using noisy diffusion iterates. The algorithm injects Laplace noise per diffusion iteration and adopts a degree-based thresholding function to mitigate the high sensitivity induced by low-degree nodes. Our privacy loss analysis is based on Privacy Amplification by Iteration (PABI), which to our best knowledge, is the first effort that analyzes PABI with Laplace noise and provides relevant applications. We also introduce a novel -Wasserstein distance tracking method, which tightens the analysis of privacy leakage and makes PABI practically applicable. We evaluate this framework by applying it to Personalized Pagerank computation for ranking tasks. Experiments on real-world network data demonstrate the superiority of our method under stringent privacy conditions.


Covariance-Aware Private Mean Estimation Without Private Covariance Estimation Marco Gaboardi Department of Computer Science Department of Computer Science Boston University

Neural Information Processing Systems

Each of our estimators is based on a simple, general approach to designing differentially private mechanisms, but with novel technical steps to make the estimator private and sample-efficient. Our first estimator samples a point with approximately maximum Tukey depth using the exponential mechanism, but restricted to the set of points of large Tukey depth. Proving that this mechanism is private requires a novel analysis. Our second estimator perturbs the empirical mean of the data set with noise calibrated to the empirical covariance, without releasing the covariance itself. Its sample complexity guarantees hold more generally for subgaussian distributions, albeit with a slightly worse dependence on the privacy parameter. For both estimators, careful preprocessing of the data is required to satisfy differential privacy.



Interview with Ananya Joshi: Real-time monitoring for healthcare data

AIHub

In this interview series, we're meeting some of the AAAI/SIGAI Doctoral Consortium participants to find out more about their research. Ananya Joshi recently completed her PhD, where she developed a system that experts have used for the past two years to identify respiratory outbreaks (like COVID-19) in large-scale healthcare streams across the United States using her novel algorithms for ranking real-time events from large-scale time series data. In this interview, she tells us more about this project, how healthcare applications inspire basic AI research, and her future plans. When I started my PhD during the COVID-19 pandemic, there was an explosion in continuously-updated human health data. Still, it was difficult for people to figure out which data was important so that they could make decisions like increasing the number of hospital beds at the start of an outbreak or patching a serious data problem that would impact disease forecasting.


ALT: A Python Package for Lightweight Feature Representation in Time Series Classification

arXiv.org Machine Learning

We introduce ALT, an open-source Python package created for efficient and accurate time series classification (TSC). The package implements the adaptive law-based transformation (ALT) algorithm, which transforms raw time series data into a linearly separable feature space using variable-length shifted time windows. This adaptive approach enhances its predecessor, the linear law-based transformation (LLT), by effectively capturing patterns of varying temporal scales. The software is implemented for scalability, interpretability, and ease of use, achieving state-of-the-art performance with minimal computational overhead. Extensive benchmarking on real-world datasets demonstrates the utility of ALT for diverse TSC tasks in physics and related domains.


A Survey on Archetypal Analysis

arXiv.org Machine Learning

Archetypal analysis (AA) was originally proposed in 1994 by Adele Cutler and Leo Breiman as a computational procedure to extract the distinct aspects called archetypes in observations with each observational record approximated as a mixture (i.e., convex combination) of these archetypes. AA thereby provides straightforward, interpretable, and explainable representations for feature extraction and dimensionality reduction, facilitating the understanding of the structure of high-dimensional data with wide applications throughout the sciences. However, AA also faces challenges, particularly as the associated optimization problem is non-convex. This survey provides researchers and data mining practitioners an overview of methodologies and opportunities that AA has to offer surveying the many applications of AA across disparate fields of science, as well as best practices for modeling data using AA and limitations. The survey concludes by explaining important future research directions concerning AA.


Predictive Multiplicity in Survival Models: A Method for Quantifying Model Uncertainty in Predictive Maintenance Applications

arXiv.org Machine Learning

In many applications, especially those involving prediction, models may yield near-optimal performance yet significantly disagree on individual-level outcomes. This phenomenon, known as predictive multiplicity, has been formally defined in binary, probabilistic, and multi-target classification, and undermines the reliability of predictive systems. However, its implications remain unexplored in the context of survival analysis, which involves estimating the time until a failure or similar event while properly handling censored data. We frame predictive multiplicity as a critical concern in survival-based models and introduce formal measures -- ambiguity, discrepancy, and obscurity -- to quantify it. This is particularly relevant for downstream tasks such as maintenance scheduling, where precise individual risk estimates are essential. Understanding and reporting predictive multiplicity helps build trust in models deployed in high-stakes environments. We apply our methodology to benchmark datasets from predictive maintenance, extending the notion of multiplicity to survival models. Our findings show that ambiguity steadily increases, reaching up to 40-45% of observations; discrepancy is lower but exhibits a similar trend; and obscurity remains mild and concentrated in a few models. These results demonstrate that multiple accurate survival models may yield conflicting estimations of failure risk and degradation progression for the same equipment. This highlights the need to explicitly measure and communicate predictive multiplicity to ensure reliable decision-making in process health management.


An Incremental Non-Linear Manifold Approximation Method

arXiv.org Machine Learning

Analyzing high-dimensional data presents challenges due to the "curse of dimensionality'', making computations intensive. Dimension reduction techniques, categorized as linear or non-linear, simplify such data. Non-linear methods are particularly essential for efficiently visualizing and processing complex data structures in interactive and graphical applications. This research develops an incremental non-linear dimension reduction method using the Geometric Multi-Resolution Analysis (GMRA) framework for streaming data. The proposed method enables real-time data analysis and visualization by incrementally updating the cluster map, PCA basis vectors, and wavelet coefficients. Numerical experiments show that the incremental GMRA accurately represents non-linear manifolds even with small initial samples and aligns closely with batch GMRA, demonstrating efficient updates and maintaining the multiscale structure. The findings highlight the potential of Incremental GMRA for real-time visualization and interactive graphics applications that require adaptive high-dimensional data representations.


Riemannian Optimization on Relaxed Indicator Matrix Manifold

arXiv.org Machine Learning

The indicator matrix plays an important role in machine learning, but optimizing it is an NP-hard problem. We propose a new relaxation of the indicator matrix and prove that this relaxation forms a manifold, which we call the Relaxed Indicator Matrix Manifold (RIM manifold). Based on Riemannian geometry, we develop a Riemannian toolbox for optimization on the RIM manifold. Specifically, we provide several methods of Retraction, including a fast Retraction method to obtain geodesics. We point out that the RIM manifold is a generalization of the double stochastic manifold, and it is much faster than existing methods on the double stochastic manifold, which has a complexity of \( \mathcal{O}(n^3) \), while RIM manifold optimization is \( \mathcal{O}(n) \) and often yields better results. We conducted extensive experiments, including image denoising, with millions of variables to support our conclusion, and applied the RIM manifold to Ratio Cut, we provide a rigorous convergence proof and achieve clustering results that outperform the state-of-the-art methods. Our Code in \href{https://github.com/Yuan-Jinghui/Riemannian-Optimization-on-Relaxed-Indicator-Matrix-Manifold}{here}.