Existing regression models tend to fall short in both accuracy and uncertainty estimation when the label distribution is imbalanced. In this paper, we propose a probabilistic deep learning model, dubbed variational imbalanced regression (VIR), which not only performs well in imbalanced regression but naturally produces reasonable uncertainty estimation as a byproduct. Different from typical variational autoencoders assuming I.I.D. representations (a data point's representation is not directly affected by other data points), our VIR borrows data with similar regression labels to compute the latent representation's variational distribution; furthermore, different from deterministic regression models producing point estimates, VIR predicts the entire normal-inverse-gamma distributions and modulates the associated conjugate distributions to impose probabilistic reweighting on the imbalanced data, thereby providing better uncertainty estimation. Experiments in several real-world datasets show that our VIR can outperform state-of-the-art imbalanced regression models in terms of both accuracy and uncertainty estimation. Code will soon be available at //github.com/Wang-ML-Lab/variational-imbalanced-regression.
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ACM/IEEE第23屆模型驅動工程語言和系統國際會議，是模型驅動軟件和系統工程的首要會議系列，由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來，模型涵蓋了建模的各個方面，從語言和方法到工具和應用程序。模特的參加者來自不同的背景，包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇，參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會，并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。
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We develop a generative attention-based approach to modeling structured entities comprising different property types, such as numerical, categorical, string, and composite. This approach handles such heterogeneous data through a mixed continuous-discrete diffusion process over the properties. Our flexible framework can model entities with arbitrary hierarchical properties, enabling applications to structured Knowledge Base (KB) entities and tabular data. Our approach obtains state-of-the-art performance on a majority of cases across 15 datasets. In addition, experiments with a device KB and a nuclear physics dataset demonstrate the model's ability to learn representations useful for entity completion in diverse settings. This has many downstream use cases, including modeling numerical properties with high accuracy - critical for science applications, which also benefit from the model's inherent probabilistic nature.
Deep neural networks (DNNs) are vulnerable to adversarial perturbation, where an imperceptible perturbation is added to the image that can fool the DNNs. Diffusion-based adversarial purification focuses on using the diffusion model to generate a clean image against such adversarial attacks. Unfortunately, the generative process of the diffusion model is also inevitably affected by adversarial perturbation since the diffusion model is also a deep network where its input has adversarial perturbation. In this work, we propose MimicDiffusion, a new diffusion-based adversarial purification technique, that directly approximates the generative process of the diffusion model with the clean image as input. Concretely, we analyze the differences between the guided terms using the clean image and the adversarial sample. After that, we first implement MimicDiffusion based on Manhattan distance. Then, we propose two guidance to purify the adversarial perturbation and approximate the clean diffusion model. Extensive experiments on three image datasets including CIFAR-10, CIFAR-100, and ImageNet with three classifier backbones including WideResNet-70-16, WideResNet-28-10, and ResNet50 demonstrate that MimicDiffusion significantly performs better than the state-of-the-art baselines. On CIFAR-10, CIFAR-100, and ImageNet, it achieves 92.67\%, 61.35\%, and 61.53\% average robust accuracy, which are 18.49\%, 13.23\%, and 17.64\% higher, respectively. The code is available in the supplementary material.
Recent molecular communication (MC) research has integrated more detailed computational models to capture the dynamics of practical biophysical systems. This research focuses on developing realistic models for MC transceivers inspired by spheroids - three-dimensional cell aggregates commonly used in organ-on-chip experimental systems. Potential applications that can be used or modeled with spheroids include nutrient transport in an organ-on-chip system, the release of biomarkers or reception of drug molecules by a cancerous tumor site, or transceiver nanomachines participating in information exchange. In this paper, a simple diffusive MC system is considered where a spheroidal transmitter and receiver are in an unbounded fluid environment. These spheroidal antennas are modeled as porous media for diffusive signaling molecules, then their boundary conditions and effective diffusion coefficients are characterized. Further, for either a point source or spheroidal transmitter, Green's function for concentration (GFC) outside and inside the receiving spheroid is analytically derived and formulated in terms of an infinite series and confirmed by a particle-based simulator (PBS). The provided GFCs enable computation of the transmitted and received signals in the spheroidal communication system. This study shows that the porous structure of the receiving spheroid amplifies diffusion signals but also disperses them, thus there is a trade-off between porosity and information transmission rate. Also, the results reveal that the porous arrangement of the transmitting spheroid not only disperses the received signal but also attenuates it. System performance is also evaluated in terms of bit error rate (BER). Decreasing the porosity of the receiving spheroid is shown to enhance system performance. Conversely, reducing the porosity of the transmitting spheroid can adversely affect system performance.
For many data-processing applications, a comprehensive set of efficient operations for the management of priority values is required. Indexed priority queues are particularly promising to satisfy this requirement by design. In this work, we report the design and analysis of an efficient indexed priority queue with a comprehensive set of operations. In particular, $\mathtt{insert}$, $\mathtt{delete}$ and $\mathtt{decrease}$ all run in expected $O(\log^{*}{n})$ time, while $\mathtt{increase}$ is conjectured by means of Monte Carlo simulations to run in expected $O(\log\log{n})$ time. The space complexity as well as the time complexity for the construction of the empty heap data structure is $O(n)$. For certain massive computational problems, such as specific analyses of extremely large graphs and (chemical) simulations, this heap system may exhibit considerable utility.
The partially observable constrained optimization problems (POCOPs) impede data-driven optimization techniques since an infeasible solution of POCOPs can provide little information about the objective as well as the constraints. We endeavor to design an efficient and provable method for expensive POCOPs under the framework of constrained Bayesian optimization. Our method consists of two key components. Firstly, we present an improved design of the acquisition functions that introduces balanced exploration during optimization. We rigorously study the convergence properties of this design to demonstrate its effectiveness. Secondly, we propose a Gaussian process embedding different likelihoods as the surrogate model for a partially observable constraint. This model leads to a more accurate representation of the feasible regions compared to traditional classification-based models. Our proposed method is empirically studied on both synthetic and real-world problems. The results demonstrate the competitiveness of our method for solving POCOPs.
The past decade has witnessed a plethora of works that leverage the power of visualization (VIS) to interpret machine learning (ML) models. The corresponding research topic, VIS4ML, keeps growing at a fast pace. To better organize the enormous works and shed light on the developing trend of VIS4ML, we provide a systematic review of these works through this survey. Since data quality greatly impacts the performance of ML models, our survey focuses specifically on summarizing VIS4ML works from the data perspective. First, we categorize the common data handled by ML models into five types, explain the unique features of each type, and highlight the corresponding ML models that are good at learning from them. Second, from the large number of VIS4ML works, we tease out six tasks that operate on these types of data (i.e., data-centric tasks) at different stages of the ML pipeline to understand, diagnose, and refine ML models. Lastly, by studying the distribution of 143 surveyed papers across the five data types, six data-centric tasks, and their intersections, we analyze the prospective research directions and envision future research trends.
Causal Machine Learning (CausalML) is an umbrella term for machine learning methods that formalize the data-generation process as a structural causal model (SCM). This allows one to reason about the effects of changes to this process (i.e., interventions) and what would have happened in hindsight (i.e., counterfactuals). We categorize work in \causalml into five groups according to the problems they tackle: (1) causal supervised learning, (2) causal generative modeling, (3) causal explanations, (4) causal fairness, (5) causal reinforcement learning. For each category, we systematically compare its methods and point out open problems. Further, we review modality-specific applications in computer vision, natural language processing, and graph representation learning. Finally, we provide an overview of causal benchmarks and a critical discussion of the state of this nascent field, including recommendations for future work.
Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree. Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.
The difficulty of deploying various deep learning (DL) models on diverse DL hardwares has boosted the research and development of DL compilers in the community. Several DL compilers have been proposed from both industry and academia such as Tensorflow XLA and TVM. Similarly, the DL compilers take the DL models described in different DL frameworks as input, and then generate optimized codes for diverse DL hardwares as output. However, none of the existing survey has analyzed the unique design of the DL compilers comprehensively. In this paper, we perform a comprehensive survey of existing DL compilers by dissecting the commonly adopted design in details, with emphasis on the DL oriented multi-level IRs, and frontend/backend optimizations. Specifically, we provide a comprehensive comparison among existing DL compilers from various aspects. In addition, we present detailed analysis of the multi-level IR design and compiler optimization techniques. Finally, several insights are highlighted as the potential research directions of DL compiler. This is the first survey paper focusing on the unique design of DL compiler, which we hope can pave the road for future research towards the DL compiler.
The design of deep graph models still remains to be investigated and the crucial part is how to explore and exploit the knowledge from different hops of neighbors in an efficient way. In this paper, we propose a novel RNN-like deep graph neural network architecture by incorporating AdaBoost into the computation of network; and the proposed graph convolutional network called AdaGCN~(AdaBoosting Graph Convolutional Network) has the ability to efficiently extract knowledge from high-order neighbors and integrate knowledge from different hops of neighbors into the network in an AdaBoost way. We also present the architectural difference between AdaGCN and existing graph convolutional methods to show the benefits of our proposal. Finally, extensive experiments demonstrate the state-of-the-art prediction performance and the computational advantage of our approach AdaGCN.
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