In spatial regression models, spatial heterogeneity may be considered with either continuous or discrete specifications. The latter is related to delineation of spatially connected regions with homogeneous relationships between variables (spatial regimes). Although various regionalization algorithms have been proposed and studied in the field of spatial analytics, methods to optimize spatial regimes have been largely unexplored. In this paper, we propose two new algorithms for spatial regime delineation, two-stage K-Models and Regional-K-Models. We also extend the classic Automatic Zoning Procedure to spatial regression context. The proposed algorithms are applied to a series of synthetic datasets and two real-world datasets. Results indicate that all three algorithms achieve superior or comparable performance to existing approaches, while the two-stage K-Models algorithm largely outperforms existing approaches on model fitting, region reconstruction, and coefficient estimation. Our work enriches the spatial analytics toolbox to explore spatial heterogeneous processes.
There is an increasing interest in learning reward functions that model human intent and human preferences. However, many frameworks use blackbox learning methods that, while expressive, are difficult to interpret. We propose and evaluate a novel approach for learning expressive and interpretable reward functions from preferences using Differentiable Decision Trees (DDTs). Our experiments across several domains, including Cartpole, Visual Gridworld environments and Atari games, provide evidence that that the tree structure of our learned reward function is useful in determining the extent to which the reward function is aligned with human preferences. We experimentally demonstrate that using reward DDTs results in competitive performance when compared with larger capacity deep neural network reward functions. We also observe that the choice between soft and hard (argmax) output of reward DDT reveals a tension between wanting highly shaped rewards to ensure good RL performance, while also wanting simple, non-shaped rewards to afford interpretability.
The multiple-choice knapsack problem (MCKP) is a classic NP-hard combinatorial optimization problem. Motivated by several significant practical applications, this work investigates a novel variant of MCKP called data-driven chance-constrained multiple-choice knapsack problem (DDCCMCKP), where the item weight is a random variable with unknown probability distribution. We first present the problem formulation of DDCCMCKP, and then establish two benchmark sets. The first set contains synthetic instances, and the second set is devised to simulate a real-world application scenario of a certain telecommunication company. To solve DDCCMCKP, we propose a data-driven adaptive local search (DDALS) algorithm. The main merit of DDALS lies in evaluating solutions with chance constraints by data-driven methods, under the condition of unknown distributions and only historical sample data being available. The experimental results demonstrate the effectiveness of the proposed algorithm and show that it is superior to other baselines. Additionally, ablation experiments confirm the necessity of each component in the algorithm. Our proposed algorithm can serve as the baseline for future research, and the code and benchmark sets will be open-sourced to further promote research on this challenging problem.
Heterogeneity and comorbidity are two interwoven challenges associated with various healthcare problems that greatly hampered research on developing effective treatment and understanding of the underlying neurobiological mechanism. Very few studies have been conducted to investigate heterogeneous causal effects (HCEs) in graphical contexts due to the lack of statistical methods. To characterize this heterogeneity, we first conceptualize heterogeneous causal graphs (HCGs) by generalizing the causal graphical model with confounder-based interactions and multiple mediators. Such confounders with an interaction with the treatment are known as moderators. This allows us to flexibly produce HCGs given different moderators and explicitly characterize HCEs from the treatment or potential mediators on the outcome. We establish the theoretical forms of HCEs and derive their properties at the individual level in both linear and nonlinear models. An interactive structural learning is developed to estimate the complex HCGs and HCEs with confidence intervals provided. Our method is empirically justified by extensive simulations and its practical usefulness is illustrated by exploring causality among psychiatric disorders for trauma survivors.
Diffusion models have achieved state-of-the-art performance in generating many different kinds of data, including images, text, and videos. Despite their success, there has been limited research on how the underlying diffusion process and the final convergent prior can affect generative performance; this research has also been limited to continuous data types and a score-based diffusion framework. To fill this gap, we explore how different discrete diffusion kernels (which converge to different prior distributions) affect the performance of diffusion models for graphs. To this end, we developed a novel formulation of a family of discrete diffusion kernels which are easily adjustable to converge to different Bernoulli priors, and we study the effect of these different kernels on generative performance. We show that the quality of generated graphs is sensitive to the prior used, and that the optimal choice cannot be explained by obvious statistics or metrics, which challenges the intuitions which previous works have suggested.
Federated learning (FL) has been proposed to protect data privacy and virtually assemble the isolated data silos by cooperatively training models among organizations without breaching privacy and security. However, FL faces heterogeneity from various aspects, including data space, statistical, and system heterogeneity. For example, collaborative organizations without conflict of interest often come from different areas and have heterogeneous data from different feature spaces. Participants may also want to train heterogeneous personalized local models due to non-IID and imbalanced data distribution and various resource-constrained devices. Therefore, heterogeneous FL is proposed to address the problem of heterogeneity in FL. In this survey, we comprehensively investigate the domain of heterogeneous FL in terms of data space, statistical, system, and model heterogeneity. We first give an overview of FL, including its definition and categorization. Then, We propose a precise taxonomy of heterogeneous FL settings for each type of heterogeneity according to the problem setting and learning objective. We also investigate the transfer learning methodologies to tackle the heterogeneity in FL. We further present the applications of heterogeneous FL. Finally, we highlight the challenges and opportunities and envision promising future research directions toward new framework design and trustworthy approaches.
Classic algorithms and machine learning systems like neural networks are both abundant in everyday life. While classic computer science algorithms are suitable for precise execution of exactly defined tasks such as finding the shortest path in a large graph, neural networks allow learning from data to predict the most likely answer in more complex tasks such as image classification, which cannot be reduced to an exact algorithm. To get the best of both worlds, this thesis explores combining both concepts leading to more robust, better performing, more interpretable, more computationally efficient, and more data efficient architectures. The thesis formalizes the idea of algorithmic supervision, which allows a neural network to learn from or in conjunction with an algorithm. When integrating an algorithm into a neural architecture, it is important that the algorithm is differentiable such that the architecture can be trained end-to-end and gradients can be propagated back through the algorithm in a meaningful way. To make algorithms differentiable, this thesis proposes a general method for continuously relaxing algorithms by perturbing variables and approximating the expectation value in closed form, i.e., without sampling. In addition, this thesis proposes differentiable algorithms, such as differentiable sorting networks, differentiable renderers, and differentiable logic gate networks. Finally, this thesis presents alternative training strategies for learning with algorithms.
Federated Learning (FL) is a decentralized machine-learning paradigm, in which a global server iteratively averages the model parameters of local users without accessing their data. User heterogeneity has imposed significant challenges to FL, which can incur drifted global models that are slow to converge. Knowledge Distillation has recently emerged to tackle this issue, by refining the server model using aggregated knowledge from heterogeneous users, other than directly averaging their model parameters. This approach, however, depends on a proxy dataset, making it impractical unless such a prerequisite is satisfied. Moreover, the ensemble knowledge is not fully utilized to guide local model learning, which may in turn affect the quality of the aggregated model. Inspired by the prior art, we propose a data-free knowledge distillation} approach to address heterogeneous FL, where the server learns a lightweight generator to ensemble user information in a data-free manner, which is then broadcasted to users, regulating local training using the learned knowledge as an inductive bias. Empirical studies powered by theoretical implications show that, our approach facilitates FL with better generalization performance using fewer communication rounds, compared with the state-of-the-art.
Graph Neural Networks (GNNs) have proven to be useful for many different practical applications. However, many existing GNN models have implicitly assumed homophily among the nodes connected in the graph, and therefore have largely overlooked the important setting of heterophily, where most connected nodes are from different classes. In this work, we propose a novel framework called CPGNN that generalizes GNNs for graphs with either homophily or heterophily. The proposed framework incorporates an interpretable compatibility matrix for modeling the heterophily or homophily level in the graph, which can be learned in an end-to-end fashion, enabling it to go beyond the assumption of strong homophily. Theoretically, we show that replacing the compatibility matrix in our framework with the identity (which represents pure homophily) reduces to GCN. Our extensive experiments demonstrate the effectiveness of our approach in more realistic and challenging experimental settings with significantly less training data compared to previous works: CPGNN variants achieve state-of-the-art results in heterophily settings with or without contextual node features, while maintaining comparable performance in homophily settings.
Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them infeasible to represent heterogeneous structures. In this paper, we present the Heterogeneous Graph Transformer (HGT) architecture for modeling Web-scale heterogeneous graphs. To model heterogeneity, we design node- and edge-type dependent parameters to characterize the heterogeneous attention over each edge, empowering HGT to maintain dedicated representations for different types of nodes and edges. To handle dynamic heterogeneous graphs, we introduce the relative temporal encoding technique into HGT, which is able to capture the dynamic structural dependency with arbitrary durations. To handle Web-scale graph data, we design the heterogeneous mini-batch graph sampling algorithm---HGSampling---for efficient and scalable training. Extensive experiments on the Open Academic Graph of 179 million nodes and 2 billion edges show that the proposed HGT model consistently outperforms all the state-of-the-art GNN baselines by 9%--21% on various downstream tasks.
Sufficient training data is normally required to train deeply learned models. However, the number of pedestrian images per ID in person re-identification (re-ID) datasets is usually limited, since manually annotations are required for multiple camera views. To produce more data for training deeply learned models, generative adversarial network (GAN) can be leveraged to generate samples for person re-ID. However, the samples generated by vanilla GAN usually do not have labels. So in this paper, we propose a virtual label called Multi-pseudo Regularized Label (MpRL) and assign it to the generated images. With MpRL, the generated samples will be used as supplementary of real training data to train a deep model in a semi-supervised learning fashion. Considering data bias between generated and real samples, MpRL utilizes different contributions from predefined training classes. The contribution-based virtual labels are automatically assigned to generated samples to reduce ambiguous prediction in training. Meanwhile, MpRL only relies on predefined training classes without using extra classes. Furthermore, to reduce over-fitting, a regularized manner is applied to MpRL to regularize the learning process. To verify the effectiveness of MpRL, two state-of-the-art convolutional neural networks (CNNs) are adopted in our experiments. Experiments demonstrate that by assigning MpRL to generated samples, we can further improve the person re-ID performance on three datasets i.e., Market-1501, DukeMTMCreID, and CUHK03. The proposed method obtains +6.29%, +6.30% and +5.58% improvements in rank-1 accuracy over a strong CNN baseline respectively, and outperforms the state-of-the- art methods.