LGJun 9, 2022
Towards Understanding Graph Neural Networks: An Algorithm Unrolling PerspectiveZepeng Zhang, Ziping Zhao
The graph neural network (GNN) has demonstrated its superior performance in various applications. The working mechanism behind it, however, remains mysterious. GNN models are designed to learn effective representations for graph-structured data, which intrinsically coincides with the principle of graph signal denoising (GSD). Algorithm unrolling, a "learning to optimize" technique, has gained increasing attention due to its prospects in building efficient and interpretable neural network architectures. In this paper, we introduce a class of unrolled networks built based on truncated optimization algorithms (e.g., gradient descent and proximal gradient descent) for GSD problems. They are shown to be tightly connected to many popular GNN models in that the forward propagations in these GNNs are in fact unrolled networks serving specific GSDs. Besides, the training process of a GNN model can be seen as solving a bilevel optimization problem with a GSD problem at the lower level. Such a connection brings a fresh view of GNNs, as we could try to understand their practical capabilities from their GSD counterparts, and it can also motivate designing new GNN models. Based on the algorithm unrolling perspective, an expressive model named UGDGNN, i.e., unrolled gradient descent GNN, is further proposed which inherits appealing theoretical properties. Extensive numerical simulations on seven benchmark datasets demonstrate that UGDGNN can achieve superior or competitive performance over the state-of-the-art models.
LGOct 3, 2022
ASGNN: Graph Neural Networks with Adaptive StructureZepeng Zhang, Songtao Lu, Zengfeng Huang et al.
The graph neural network (GNN) models have presented impressive achievements in numerous machine learning tasks. However, many existing GNN models are shown to be vulnerable to adversarial attacks, which creates a stringent need to build robust GNN architectures. In this work, we propose a novel interpretable message passing scheme with adaptive structure (ASMP) to defend against adversarial attacks on graph structure. Layers in ASMP are derived based on optimization steps that minimize an objective function that learns the node feature and the graph structure simultaneously. ASMP is adaptive in the sense that the message passing process in different layers is able to be carried out over dynamically adjusted graphs. Such property allows more fine-grained handling of the noisy (or perturbed) graph structure and hence improves the robustness. Convergence properties of the ASMP scheme are theoretically established. Integrating ASMP with neural networks can lead to a new family of GNN models with adaptive structure (ASGNN). Extensive experiments on semi-supervised node classification tasks demonstrate that the proposed ASGNN outperforms the state-of-the-art GNN architectures in terms of classification performance under various adversarial attacks.
LGAug 5, 2024
Algorithm-Informed Graph Neural Networks for Leakage Detection and Localization in Water Distribution NetworksZepeng Zhang, Olga Fink
Detecting and localizing leakages is a significant challenge for the efficient and sustainable management of water distribution networks (WDN). Leveraging the inherent graph structure of WDNs, recent approaches have used graph-based data-driven methods. However, these methods often learn shortcuts that work well with in-distribution data but fail to generalize to out-of-distribution data. To address this limitation and inspired by the perfect generalization ability of classical algorithms, we propose an algorithm-informed graph neural network (AIGNN). Recognizing that WDNs function as flow networks, incorporating max-flow information can be beneficial for inferring pressures. In the proposed framework, we first train AIGNN to emulate the Ford-Fulkerson algorithm for solving max-flow problems. This algorithmic knowledge is then transferred to address the pressure estimation problem in WDNs. Two AIGNNs are deployed, one to reconstruct pressure based on the current measurements, and another to predict pressure based on previous measurements. Leakages are detected and localized by comparing the outputs of the reconstructor and the predictor. By pretraining AIGNNs to reason like algorithms, they are expected to extract more task-relevant and generalizable features. Experimental results demonstrate that the proposed algorithm-informed approach achieves superior results with better generalization ability compared to GNNs that do not incorporate algorithmic knowledge.
LGOct 20, 2025Code
RINS-T: Robust Implicit Neural Solvers for Time Series Linear Inverse ProblemsKeivan Faghih Niresi, Zepeng Zhang, Olga Fink
Time series data are often affected by various forms of corruption, such as missing values, noise, and outliers, which pose significant challenges for tasks such as forecasting and anomaly detection. To address these issues, inverse problems focus on reconstructing the original signal from corrupted data by leveraging prior knowledge about its underlying structure. While deep learning methods have demonstrated potential in this domain, they often require extensive pretraining and struggle to generalize under distribution shifts. In this work, we propose RINS-T (Robust Implicit Neural Solvers for Time Series Linear Inverse Problems), a novel deep prior framework that achieves high recovery performance without requiring pretraining data. RINS-T leverages neural networks as implicit priors and integrates robust optimization techniques, making it resilient to outliers while relaxing the reliance on Gaussian noise assumptions. To further improve optimization stability and robustness, we introduce three key innovations: guided input initialization, input perturbation, and convex output combination techniques. Each of these contributions strengthens the framework's optimization stability and robustness. These advancements make RINS-T a flexible and effective solution for addressing complex real-world time series challenges. Our code is available at https://github.com/EPFL-IMOS/RINS-T.
CVSep 30, 2025Code
GeoLink: Empowering Remote Sensing Foundation Model with OpenStreetMap DataLubian Bai, Xiuyuan Zhang, Siqi Zhang et al.
Integrating ground-level geospatial data with rich geographic context, like OpenStreetMap (OSM), into remote sensing (RS) foundation models (FMs) is essential for advancing geospatial intelligence and supporting a broad spectrum of tasks. However, modality gap between RS and OSM data, including differences in data structure, content, and spatial granularity, makes effective synergy highly challenging, and most existing RS FMs focus on imagery alone. To this end, this study presents GeoLink, a multimodal framework that leverages OSM data to enhance RS FM during both the pretraining and downstream task stages. Specifically, GeoLink enhances RS self-supervised pretraining using multi-granularity learning signals derived from OSM data, guided by cross-modal spatial correlations for information interaction and collaboration. It also introduces image mask-reconstruction to enable sparse input for efficient pretraining. For downstream tasks, GeoLink generates both unimodal and multimodal fine-grained encodings to support a wide range of applications, from common RS interpretation tasks like land cover classification to more comprehensive geographic tasks like urban function zone mapping. Extensive experiments show that incorporating OSM data during pretraining enhances the performance of the RS image encoder, while fusing RS and OSM data in downstream tasks improves the FM's adaptability to complex geographic scenarios. These results underscore the potential of multimodal synergy in advancing high-level geospatial artificial intelligence. Moreover, we find that spatial correlation plays a crucial role in enabling effective multimodal geospatial data integration. Code, checkpoints, and using examples are released at https://github.com/bailubin/GeoLink_NeurIPS2025
LGSep 25, 2025
From Physics to Machine Learning and Back: Part II - Learning and Observational Bias in PHMOlga Fink, Ismail Nejjar, Vinay Sharma et al.
Prognostics and Health Management ensures the reliability, safety, and efficiency of complex engineered systems by enabling fault detection, anticipating equipment failures, and optimizing maintenance activities throughout an asset lifecycle. However, real-world PHM presents persistent challenges: sensor data is often noisy or incomplete, available labels are limited, and degradation behaviors and system interdependencies can be highly complex and nonlinear. Physics-informed machine learning has emerged as a promising approach to address these limitations by embedding physical knowledge into data-driven models. This review examines how incorporating learning and observational biases through physics-informed modeling and data strategies can guide models toward physically consistent and reliable predictions. Learning biases embed physical constraints into model training through physics-informed loss functions and governing equations, or by incorporating properties like monotonicity. Observational biases influence data selection and synthesis to ensure models capture realistic system behavior through virtual sensing for estimating unmeasured states, physics-based simulation for data augmentation, and multi-sensor fusion strategies. The review then examines how these approaches enable the transition from passive prediction to active decision-making through reinforcement learning, which allows agents to learn maintenance policies that respect physical constraints while optimizing operational objectives. This closes the loop between model-based predictions, simulation, and actual system operation, empowering adaptive decision-making. Finally, the review addresses the critical challenge of scaling PHM solutions from individual assets to fleet-wide deployment. Fast adaptation methods including meta-learning and few-shot learning are reviewed alongside domain generalization techniques ...
LGNov 20, 2024
Domain Adaptive Unfolded Graph Neural NetworksZepeng Zhang, Olga Fink
Over the last decade, graph neural networks (GNNs) have made significant progress in numerous graph machine learning tasks. In real-world applications, where domain shifts occur and labels are often unavailable for a new target domain, graph domain adaptation (GDA) approaches have been proposed to facilitate knowledge transfer from the source domain to the target domain. Previous efforts in tackling distribution shifts across domains have mainly focused on aligning the node embedding distributions generated by the GNNs in the source and target domains. However, as the core part of GDA approaches, the impact of the underlying GNN architecture has received limited attention. In this work, we explore this orthogonal direction, i.e., how to facilitate GDA with architectural enhancement. In particular, we consider a class of GNNs that are designed explicitly based on optimization problems, namely unfolded GNNs (UGNNs), whose training process can be represented as bi-level optimization. Empirical and theoretical analyses demonstrate that when transferring from the source domain to the target domain, the lower-level objective value generated by the UGNNs significantly increases, resulting in an increase in the upper-level objective as well. Motivated by this observation, we propose a simple yet effective strategy called cascaded propagation (CP), which is guaranteed to decrease the lower-level objective value. The CP strategy is widely applicable to general UGNNs, and we evaluate its efficacy with three representative UGNN architectures. Extensive experiments on five real-world datasets demonstrate that the UGNNs integrated with CP outperform state-of-the-art GDA baselines.