We introduce a novel rule-based approach for handling regression problems. The new methodology carries elements from two frameworks: (i) it provides information about the uncertainty of the parameters of interest using Bayesian inference, and (ii) it allows the incorporation of expert knowledge through rule-based systems. The blending of those two different frameworks can be particularly beneficial for various domains (e.g. engineering), where, even though the significance of uncertainty quantification motivates a Bayesian approach, there is no simple way to incorporate researcher intuition into the model. We validate our models by applying them to synthetic applications: a simple linear regression problem and two more complex structures based on partial differential equations. Finally, we review the advantages of our methodology, which include the simplicity of the implementation, the uncertainty reduction due to the added information and, in some occasions, the derivation of better point predictions, and we address limitations, mainly from the computational complexity perspective, such as the difficulty in choosing an appropriate algorithm and the added computational burden.
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Unsupervised domain adaptation has recently emerged as an effective paradigm for generalizing deep neural networks to new target domains. However, there is still enormous potential to be tapped to reach the fully supervised performance. In this paper, we present a novel active learning strategy to assist knowledge transfer in the target domain, dubbed active domain adaptation. We start from an observation that energy-based models exhibit free energy biases when training (source) and test (target) data come from different distributions. Inspired by this inherent mechanism, we empirically reveal that a simple yet efficient energy-based sampling strategy sheds light on selecting the most valuable target samples than existing approaches requiring particular architectures or computation of the distances. Our algorithm, Energy-based Active Domain Adaptation (EADA), queries groups of targe data that incorporate both domain characteristic and instance uncertainty into every selection round. Meanwhile, by aligning the free energy of target data compact around the source domain via a regularization term, domain gap can be implicitly diminished. Through extensive experiments, we show that EADA surpasses state-of-the-art methods on well-known challenging benchmarks with substantial improvements, making it a useful option in the open world. Code is available at //github.com/BIT-DA/EADA.
Bayesian quadrature (BQ) is a method for solving numerical integration problems in a Bayesian manner, which allows users to quantify their uncertainty about the solution. The standard approach to BQ is based on a Gaussian process (GP) approximation of the integrand. As a result, BQ is inherently limited to cases where GP approximations can be done in an efficient manner, thus often prohibiting very high-dimensional or non-smooth target functions. This paper proposes to tackle this issue with a new Bayesian numerical integration algorithm based on Bayesian Additive Regression Trees (BART) priors, which we call BART-Int. BART priors are easy to tune and well-suited for discontinuous functions. We demonstrate that they also lend themselves naturally to a sequential design setting and that explicit convergence rates can be obtained in a variety of settings. The advantages and disadvantages of this new methodology are highlighted on a set of benchmark tests including the Genz functions, and on a Bayesian survey design problem.
Estimating the mask-wearing ratio in public places is important as it enables health authorities to promptly analyze and implement policies. Methods for estimating the mask-wearing ratio on the basis of image analysis have been reported. However, there is still a lack of comprehensive research on both methodologies and datasets. Most recent reports straightforwardly propose estimating the ratio by applying conventional object detection and classification methods. It is feasible to use regression-based approaches to estimate the number of people wearing masks, especially for congested scenes with tiny and occluded faces, but this has not been well studied. A large-scale and well-annotated dataset is still in demand. In this paper, we present two methods for ratio estimation that leverage either a detection-based or regression-based approach. For the detection-based approach, we improved the state-of-the-art face detector, RetinaFace, used to estimate the ratio. For the regression-based approach, we fine-tuned the baseline network, CSRNet, used to estimate the density maps for masked and unmasked faces. We also present the first large-scale dataset, the ``NFM dataset,'' which contains 581,108 face annotations extracted from 18,088 video frames in 17 street-view videos. Experiments demonstrated that the RetinaFace-based method has higher accuracy under various situations and that the CSRNet-based method has a shorter operation time thanks to its compactness.
Decision support systems have become increasingly popular in the domain of agriculture. With the development of automated machine learning, agricultural experts are now able to train, evaluate and make predictions using cutting edge machine learning (ML) models without the need for much ML knowledge. Although this automated approach has led to successful results in many scenarios, in certain cases (e.g., when few labeled datasets are available) choosing among different models with similar performance metrics is a difficult task. Furthermore, these systems do not commonly allow users to incorporate their domain knowledge that could facilitate the task of model selection, and to gain insight into the prediction system for eventual decision making. To address these issues, in this paper we present AHMoSe, a visual support system that allows domain experts to better understand, diagnose and compare different regression models, primarily by enriching model-agnostic explanations with domain knowledge. To validate AHMoSe, we describe a use case scenario in the viticulture domain, grape quality prediction, where the system enables users to diagnose and select prediction models that perform better. We also discuss feedback concerning the design of the tool from both ML and viticulture experts.
This paper presents an efficient reversible algorithm for linear regression, both with and without ridge regression. Our reversible algorithm matches the asymptotic time and space complexity of standard irreversible algorithms for this problem. Needed for this result is the expansion of the analysis of efficient reversible matrix multiplication to rectangular matrices and matrix inversion.
A completely randomized experiment allows us to estimate the causal effect by the difference in the averages of the outcome under the treatment and control. But, difference-in-means type estimators behave poorly if the potential outcomes have a heavy-tail, or contain a few extreme observations or outliers. We study an alternative estimator by Rosenbaum that estimates the causal effect by inverting a randomization test using ranks. We study the asymptotic properties of this estimator and develop a framework to compare the efficiencies of different estimators of the treatment effect in the setting of randomized experiments. In particular, we show that the Rosenbaum estimator has variance that is asymptotically, in the worst case, at most about 1.16 times the variance of the difference-in-means estimator, and can be much smaller when the potential outcomes are not light-tailed. We further derive a consistent estimator of the asymptotic standard error for the Rosenbaum estimator which immediately yields a readily computable confidence interval for the treatment effect, thereby alleviating the expensive numerical calculations needed to implement the original proposal of Rosenbaum. Further, we propose a regression adjusted version of the Rosenbaum estimator to incorporate additional covariate information in randomization inference. We prove gain in efficiency by this regression adjustment method under a linear regression model. Finally, we illustrate through simulations that, unlike the difference-in-means based estimators, either unadjusted or regression adjusted, these rank-based estimators are efficient and robust against heavy-tailed distributions, contamination, and various model misspecifications.
This paper deals with the grouped variable selection problem. A widely used strategy is to equip the loss function with a sparsity-promoting penalty. Existing methods include the group Lasso, group SCAD, and group MCP. The group Lasso solves a convex optimization problem but is plagued by underestimation bias. The group SCAD and group MCP avoid the estimation bias but require solving a non-convex optimization problem that suffers from local optima. In this work, we propose an alternative method based on the generalized minimax concave (GMC) penalty, which is a folded concave penalty that can maintain the convexity of the objective function. We develop a new method for grouped variable selection in linear regression, the group GMC, that generalizes the strategy of the original GMC estimator. We present an efficient algorithm for computing the group GMC estimator. We also prove properties of the solution path to guide its numerical computation and tuning parameter selection in practice. We establish error bounds for both the group GMC and original GMC estimators. A rich set of simulation studies and a real data application indicate that the proposed group GMC approach outperforms existing methods in several different aspects under a wide array of scenarios.
Heatmap-based methods dominate in the field of human pose estimation by modelling the output distribution through likelihood heatmaps. In contrast, regression-based methods are more efficient but suffer from inferior performance. In this work, we explore maximum likelihood estimation (MLE) to develop an efficient and effective regression-based methods. From the perspective of MLE, adopting different regression losses is making different assumptions about the output density function. A density function closer to the true distribution leads to a better regression performance. In light of this, we propose a novel regression paradigm with Residual Log-likelihood Estimation (RLE) to capture the underlying output distribution. Concretely, RLE learns the change of the distribution instead of the unreferenced underlying distribution to facilitate the training process. With the proposed reparameterization design, our method is compatible with off-the-shelf flow models. The proposed method is effective, efficient and flexible. We show its potential in various human pose estimation tasks with comprehensive experiments. Compared to the conventional regression paradigm, regression with RLE bring 12.4 mAP improvement on MSCOCO without any test-time overhead. Moreover, for the first time, especially on multi-person pose estimation, our regression method is superior to the heatmap-based methods. Our code is available at //github.com/Jeff-sjtu/res-loglikelihood-regression
Inferring missing facts in temporal knowledge graphs (TKGs) is a fundamental and challenging task. Previous works have approached this problem by augmenting methods for static knowledge graphs to leverage time-dependent representations. However, these methods do not explicitly leverage multi-hop structural information and temporal facts from recent time steps to enhance their predictions. Additionally, prior work does not explicitly address the temporal sparsity and variability of entity distributions in TKGs. We propose the Temporal Message Passing (TeMP) framework to address these challenges by combining graph neural networks, temporal dynamics models, data imputation and frequency-based gating techniques. Experiments on standard TKG tasks show that our approach provides substantial gains compared to the previous state of the art, achieving a 10.7% average relative improvement in Hits@10 across three standard benchmarks. Our analysis also reveals important sources of variability both within and across TKG datasets, and we introduce several simple but strong baselines that outperform the prior state of the art in certain settings.
Molecular graph generation is a fundamental problem for drug discovery and has been attracting growing attention. The problem is challenging since it requires not only generating chemically valid molecular structures but also optimizing their chemical properties in the meantime. Inspired by the recent progress in deep generative models, in this paper we propose a flow-based autoregressive model for graph generation called GraphAF. GraphAF combines the advantages of both autoregressive and flow-based approaches and enjoys: (1) high model flexibility for data density estimation; (2) efficient parallel computation for training; (3) an iterative sampling process, which allows leveraging chemical domain knowledge for valency checking. Experimental results show that GraphAF is able to generate 68% chemically valid molecules even without chemical knowledge rules and 100% valid molecules with chemical rules. The training process of GraphAF is two times faster than the existing state-of-the-art approach GCPN. After fine-tuning the model for goal-directed property optimization with reinforcement learning, GraphAF achieves state-of-the-art performance on both chemical property optimization and constrained property optimization.
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