This paper studies the problem of learning message propagation strategies for graph neural networks (GNNs). One of the challenges for graph neural networks is that of defining the propagation strategy. For instance, the choices of propagation steps are often specialized to a single graph and are not personalized to different nodes. To compensate for this, in this paper, we present learning to propagate, a general learning framework that not only learns the GNN parameters for prediction but more importantly, can explicitly learn the interpretable and personalized propagate strategies for different nodes and various types of graphs. We introduce the optimal propagation steps as latent variables to help find the maximum-likelihood estimation of the GNN parameters in a variational Expectation-Maximization (VEM) framework. Extensive experiments on various types of graph benchmarks demonstrate that our proposed framework can significantly achieve better performance compared with the state-of-the-art methods, and can effectively learn personalized and interpretable propagate strategies of messages in GNNs.

Change detection (CD) is a critical task in studying the dynamics of ecosystems and human activities using multi-temporal remote sensing images. While deep learning has shown promising results in CD tasks, it requires a large number of labeled and paired multi-temporal images to achieve high performance. Pairing and annotating large-scale multi-temporal remote sensing images is both expensive and time-consuming. To make deep learning-based CD techniques more practical and cost-effective, we propose an unsupervised single-temporal CD framework based on intra- and inter-image patch exchange (I3PE). The I3PE framework allows for training deep change detectors on unpaired and unlabeled single-temporal remote sensing images that are readily available in real-world applications. The I3PE framework comprises four steps: 1) intra-image patch exchange method is based on an object-based image analysis method and adaptive clustering algorithm, which generates pseudo-bi-temporal image pairs and corresponding change labels from single-temporal images by exchanging patches within the image; 2) inter-image patch exchange method can generate more types of land-cover changes by exchanging patches between images; 3) a simulation pipeline consisting of several image enhancement methods is proposed to simulate the radiometric difference between pre- and post-event images caused by different imaging conditions in real situations; 4) self-supervised learning based on pseudo-labels is applied to further improve the performance of the change detectors in both unsupervised and semi-supervised cases. Extensive experiments on two large-scale datasets demonstrate that I3PE outperforms representative unsupervised approaches and achieves F1 value improvements of 10.65% and 6.99% to the SOTA method. Moreover, I3PE can improve the performance of the ... (see the original article for full abstract)

We investigate the robustness and security issues from a novel and practical setting: a group of malicious clients has impacted the model during training by disguising their identities and acting as benign clients, and only revealing their adversary position after the training to conduct transferable adversarial attacks with their data, which is usually a subset of the data that FL system is trained with. Our aim is to offer a full understanding of the challenges the FL system faces in this practical setting across a spectrum of configurations. We notice that such an attack is possible, but the federated model is more robust compared with its centralized counterpart when the accuracy on clean images is comparable. Through our study, we hypothesized the robustness is from two factors: the decentralized training on distributed data and the averaging operation. We provide evidence from both the perspective of empirical experiments and theoretical analysis. Our work has implications for understanding the robustness of federated learning systems and poses a practical question for federated learning applications.

Molecular property prediction (MPP) is important in biomedical applications, which naturally suffers from a lack of labels, thus forming a few-shot learning problem. State-of-the-art approaches are usually based on gradient-based meta learning strategy, which ignore difference in model parameter and molecule's learning difficulty. To address above problems, we propose a novel hierarchical adaptation mechanism for few-shot MPP (HiMPP). The model follows a encoder-predictor framework. First, to make molecular representation property-adaptive, we selectively adapt encoder's parameter by designing a hypernetwork to modulate node embeddings during message propagation. Next, we make molecule-level adaptation by design another hypernetwork, which assigns larger propagating steps for harder molecules in predictor. In this way, molecular representation is transformed by HiMPP hierarchically from property-level to molecular level. Extensive results show that HiMPP obtains the state-of-the-art performance in few-shot MPP problems, and our proposed hierarchical adaptation mechanism is rational and effective.

Class incremental learning (CIL) is a challenging setting of continual learning, which learns a series of tasks sequentially. Each task consists of a set of unique classes. The key feature of CIL is that no task identifier (or task-id) is provided at test time for each test sample. Predicting the task-id for each test sample is a challenging problem. An emerging theoretically justified and effective approach is to train a task-specific model for each task in a shared network for all tasks based on a task-incremental learning (TIL) method to deal with forgetting. The model for each task in this approach is an out-of-distribution (OOD) detector rather than a conventional classifier. The OOD detector can perform both within-task (in-distribution (IND)) class prediction and OOD detection. The OOD detection capability is the key for task-id prediction during inference for each test sample. However, this paper argues that using a traditional OOD detector for task-id prediction is sub-optimal because additional information (e.g., the replay data and the learned tasks) available in CIL can be exploited to design a better and principled method for task-id prediction. We call the new method TPLR (Task-id Prediction based on Likelihood Ratio}). TPLR markedly outperforms strong CIL baselines.

The asymptotically efficient online learning problem is investigated for stochastic censored regression models, which arise from various fields of learning and statistics but up to now still lacks comprehensive theoretical studies on the efficiency of the learning algorithms. For this, we propose a two-step online algorithm, where the first step focuses on achieving algorithm convergence, and the second step is dedicated to improving the estimation performance. Under a general excitation condition on the data, we show that our algorithm is strongly consistent and asymptotically normal by employing the stochastic Lyapunov function method and limit theories for martingales. Moreover, we show that the covariances of the estimates can achieve the Cramér-Rao(C-R) bound asymptotically, indicating that the performance of the proposed algorithm is the best possible that one can expect in general. Unlike most of the existing works, our results are obtained without resorting to the traditionally used but stringent conditions such as independent and identically distributed (i.i.d) assumption on the data, and thus our results do not exclude applications to stochastic dynamical systems with feedback. A numerical example is also provided to illustrate the superiority of the proposed online algorithm over the existing related ones in the literature. Keywords: stochastic dynamical systems, censored regression models, online learning, non-i.i.d data, cramér-Rao bound.

Due to limited budgets allocated for road maintenance projects in various countries, road management departments face difficulties in making scientific maintenance decisions. This paper aims to provide road management departments with more scientific decision tools and evidence. The framework proposed in this paper mainly has the following four innovative points: 1) Predicting pavement performance deterioration levels of road sections as decision basis rather than accurately predicting specific indicator values; 2) Determining maintenance route priorities based on multiple factors; 3) Making maintenance plan decisions by establishing deep reinforcement learning models to formulate predictive strategies based on past maintenance performance evaluations, while considering both technical and management indicators; 4) Determining repair section priorities according to actual and suggested repair effects. By resolving these four issues, the framework can make intelligent decisions regarding optimal maintenance plans and sections, taking into account limited funds and historical maintenance management experiences.

We consider the general class of time-homogeneous stochastic dynamical systems, both discrete and continuous, and study the problem of learning a representation of the state that faithfully captures its dynamics. This is instrumental to learn the transfer operator of the system, that in turn can be used for numerous tasks, such as forecasting and interpreting the system dynamics. We show that the search for a good representation can be cast as an optimization problem over neural networks. Our approach is supported by recent results in statistical learning theory, highlighting the role of approximation error and metric distortion in the context of transfer operator regression. The objective function we propose is associated with projection operators from the representation space to the data space, overcomes metric distortion, and can be empirically estimated from data. In the discrete time setting, we further derive a relaxed objective function that is differentiable and numerically well-conditioned. We compare our method against state-of-the-art approaches on different datasets, showing better performance across the board.

Control of surface texture in strip steel is essential to meet customer requirements during galvanizing and temper rolling processes. Traditional methods rely on post-production stylus measurements, while on-line techniques offer non-contact and real-time measurements of the entire strip. However, ensuring accurate measurement is imperative for their effective utilization in the manufacturing pipeline. Moreover, accurate on-line measurements enable real-time adjustments of manufacturing processing parameters during production, ensuring consistent quality and the possibility of closed-loop control of the temper mill. In this study, we leverage state-of-the-art machine learning models to enhance the transformation of on-line measurements into significantly a more accurate Ra surface roughness metric. By comparing a selection of data-driven approaches, including both deep learning and non-deep learning methods, to the close-form transformation, we evaluate their potential for improving surface texture control in temper strip steel manufacturing.

Liberalism-oriented political philosophy reasons that all individuals should be treated equally independently of their protected characteristics. Related work in machine learning has translated the concept of \emph{equal treatment} into terms of \emph{equal outcome} and measured it as \emph{demographic parity} (also called \emph{statistical parity}). Our analysis reveals that the two concepts of equal outcome and equal treatment diverge; therefore, demographic parity does not faithfully represent the notion of \emph{equal treatment}. We propose a new formalization for equal treatment by (i) considering the influence of feature values on predictions, such as computed by Shapley values decomposing predictions across its features, (ii) defining distributions of explanations, and (iii) comparing explanation distributions between populations with different protected characteristics. We show the theoretical properties of our notion of equal treatment and devise a classifier two-sample test based on the AUC of an equal treatment inspector. We study our formalization of equal treatment on synthetic and natural data. We release \texttt{explanationspace}, an open-source Python package with methods and tutorials.