Gaussian graphical models provide a powerful framework to reveal the conditional dependency structure between multivariate variables. The process of uncovering the conditional dependency network is known as structure learning. Bayesian methods can measure the uncertainty of conditional relationships and include prior information. However, frequentist methods are often preferred due to the computational burden of the Bayesian approach. Over the last decade, Bayesian methods have seen substantial improvements, with some now capable of generating accurate estimates of graphs up to a thousand variables in mere minutes. Despite these advancements, a comprehensive review or empirical comparison of all recent methods has not been conducted. This paper delves into a wide spectrum of Bayesian approaches used for structure learning and evaluates their efficacy through a simulation study. We also demonstrate how to apply Bayesian structure learning to a real-world data set and provide directions for future research. This study gives an exhaustive overview of this dynamic field for newcomers, practitioners, and experts.
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Traffic pattern prediction has emerged as a promising approach for efficiently managing and mitigating the impacts of event-driven bursty traffic in massive machine-type communication (mMTC) networks. However, achieving accurate predictions of bursty traffic remains a non-trivial task due to the inherent randomness of events, and these challenges intensify within live network environments. Consequently, there is a compelling imperative to design a lightweight and agile framework capable of assimilating continuously collected data from the network and accurately forecasting bursty traffic in mMTC networks. This paper addresses these challenges by presenting a machine learning-based framework tailored for forecasting bursty traffic in multi-channel slotted ALOHA networks. The proposed machine learning network comprises long-term short-term memory (LSTM) and a DenseNet with feed-forward neural network (FFNN) layers, where the residual connections enhance the training ability of the machine learning network in capturing complicated patterns. Furthermore, we develop a new low-complexity online prediction algorithm that updates the states of the LSTM network by leveraging frequently collected data from the mMTC network. Simulation results and complexity analysis demonstrate the superiority of our proposed algorithm in terms of both accuracy and complexity, making it well-suited for time-critical live scenarios. We evaluate the performance of the proposed framework in a network with a single base station and thousands of devices organized into groups with distinct traffic-generating characteristics. Comprehensive evaluations and simulations indicate that our proposed machine learning approach achieves a remarkable $52\%$ higher accuracy in long-term predictions compared to traditional methods, without imposing additional processing load on the system.
Comparative meta-analyses of groups of subjects by integrating multiple observational studies rely on estimated propensity scores (PSs) to mitigate covariate imbalances. However, PS estimation grapples with the theoretical and practical challenges posed by high-dimensional covariates. Motivated by an integrative analysis of breast cancer patients across seven medical centers, this paper tackles the challenges associated with integrating multiple observational datasets. The proposed inferential technique, called Bayesian Motif Submatrices for Covariates (B-MSC), addresses the curse of dimensionality by a hybrid of Bayesian and frequentist approaches. B-MSC uses nonparametric Bayesian "Chinese restaurant" processes to eliminate redundancy in the high-dimensional covariates and discover latent motifs or lower-dimensional structure. With these motifs as potential predictors, standard regression techniques can be utilized to accurately infer the PSs and facilitate covariate-balanced group comparisons. Simulations and meta-analysis of the motivating cancer investigation demonstrate the efficacy of the B-MSC approach to accurately estimate the propensity scores and efficiently address covariate imbalance when integrating observational health studies with high-dimensional covariates.
Deep neural classifiers tend to rely on spurious correlations between spurious attributes of inputs and targets to make predictions, which could jeopardize their generalization capability. Training classifiers robust to spurious correlations typically relies on annotations of spurious correlations in data, which are often expensive to get. In this paper, we tackle an annotation-free setting and propose a self-guided spurious correlation mitigation framework. Our framework automatically constructs fine-grained training labels tailored for a classifier obtained with empirical risk minimization to improve its robustness against spurious correlations. The fine-grained training labels are formulated with different prediction behaviors of the classifier identified in a novel spuriousness embedding space. We construct the space with automatically detected conceptual attributes and a novel spuriousness metric which measures how likely a class-attribute correlation is exploited for predictions. We demonstrate that training the classifier to distinguish different prediction behaviors reduces its reliance on spurious correlations without knowing them a priori and outperforms prior methods on five real-world datasets.
Foundation models have been transformational in machine learning fields such as natural language processing and computer vision. Similar success in atomic property prediction has been limited due to the challenges of training effective models across multiple chemical domains. To address this, we introduce Joint Multi-domain Pre-training (JMP), a supervised pre-training strategy that simultaneously trains on multiple datasets from different chemical domains, treating each dataset as a unique pre-training task within a multi-task framework. Our combined training dataset consists of $\sim$120M systems from OC20, OC22, ANI-1x, and Transition-1x. We evaluate performance and generalization by fine-tuning over a diverse set of downstream tasks and datasets including: QM9, rMD17, MatBench, QMOF, SPICE, and MD22. JMP demonstrates an average improvement of 59% over training from scratch, and matches or sets state-of-the-art on 34 out of 40 tasks. Our work highlights the potential of pre-training strategies that utilize diverse data to advance property prediction across chemical domains, especially for low-data tasks. Please visit //nima.sh/jmp for further information.
Domain experts can play a crucial role in guiding data scientists to optimize machine learning models while ensuring contextual relevance for downstream use. However, in current workflows, such collaboration is challenging due to differing expertise, abstract documentation practices, and lack of access and visibility into low-level implementation artifacts. To address these challenges and enable domain expert participation, we introduce CellSync, a collaboration framework comprising (1) a Jupyter Notebook extension that continuously tracks changes to dataframes and model metrics and (2) a Large Language Model powered visualization dashboard that makes those changes interpretable to domain experts. Through CellSync's cell-level dataset visualization with code summaries, domain experts can interactively examine how individual data and modeling operations impact different data segments. The chat features enable data-centric conversations and targeted feedback to data scientists. Our preliminary evaluation shows that CellSync provides transparency and promotes critical discussions about the intents and implications of data operations.
Transformer architectures have facilitated the development of large-scale and general-purpose sequence models for prediction tasks in natural language processing and computer vision, e.g., GPT-3 and Swin Transformer. Although originally designed for prediction problems, it is natural to inquire about their suitability for sequential decision-making and reinforcement learning problems, which are typically beset by long-standing issues involving sample efficiency, credit assignment, and partial observability. In recent years, sequence models, especially the Transformer, have attracted increasing interest in the RL communities, spawning numerous approaches with notable effectiveness and generalizability. This survey presents a comprehensive overview of recent works aimed at solving sequential decision-making tasks with sequence models such as the Transformer, by discussing the connection between sequential decision-making and sequence modeling, and categorizing them based on the way they utilize the Transformer. Moreover, this paper puts forth various potential avenues for future research intending to improve the effectiveness of large sequence models for sequential decision-making, encompassing theoretical foundations, network architectures, algorithms, and efficient training systems. As this article has been accepted by the Frontiers of Computer Science, here is an early version, and the most up-to-date version can be found at //journal.hep.com.cn/fcs/EN/10.1007/s11704-023-2689-5
Graphs are used widely to model complex systems, and detecting anomalies in a graph is an important task in the analysis of complex systems. Graph anomalies are patterns in a graph that do not conform to normal patterns expected of the attributes and/or structures of the graph. In recent years, graph neural networks (GNNs) have been studied extensively and have successfully performed difficult machine learning tasks in node classification, link prediction, and graph classification thanks to the highly expressive capability via message passing in effectively learning graph representations. To solve the graph anomaly detection problem, GNN-based methods leverage information about the graph attributes (or features) and/or structures to learn to score anomalies appropriately. In this survey, we review the recent advances made in detecting graph anomalies using GNN models. Specifically, we summarize GNN-based methods according to the graph type (i.e., static and dynamic), the anomaly type (i.e., node, edge, subgraph, and whole graph), and the network architecture (e.g., graph autoencoder, graph convolutional network). To the best of our knowledge, this survey is the first comprehensive review of graph anomaly detection methods based on GNNs.
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
Deep reinforcement learning algorithms can perform poorly in real-world tasks due to the discrepancy between source and target environments. This discrepancy is commonly viewed as the disturbance in transition dynamics. Many existing algorithms learn robust policies by modeling the disturbance and applying it to source environments during training, which usually requires prior knowledge about the disturbance and control of simulators. However, these algorithms can fail in scenarios where the disturbance from target environments is unknown or is intractable to model in simulators. To tackle this problem, we propose a novel model-free actor-critic algorithm -- namely, state-conservative policy optimization (SCPO) -- to learn robust policies without modeling the disturbance in advance. Specifically, SCPO reduces the disturbance in transition dynamics to that in state space and then approximates it by a simple gradient-based regularizer. The appealing features of SCPO include that it is simple to implement and does not require additional knowledge about the disturbance or specially designed simulators. Experiments in several robot control tasks demonstrate that SCPO learns robust policies against the disturbance in transition dynamics.
We introduce a generic framework that reduces the computational cost of object detection while retaining accuracy for scenarios where objects with varied sizes appear in high resolution images. Detection progresses in a coarse-to-fine manner, first on a down-sampled version of the image and then on a sequence of higher resolution regions identified as likely to improve the detection accuracy. Built upon reinforcement learning, our approach consists of a model (R-net) that uses coarse detection results to predict the potential accuracy gain for analyzing a region at a higher resolution and another model (Q-net) that sequentially selects regions to zoom in. Experiments on the Caltech Pedestrians dataset show that our approach reduces the number of processed pixels by over 50% without a drop in detection accuracy. The merits of our approach become more significant on a high resolution test set collected from YFCC100M dataset, where our approach maintains high detection performance while reducing the number of processed pixels by about 70% and the detection time by over 50%.
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