Density ratio estimation (DRE) is a fundamental machine learning technique for comparing two probability distributions. However, existing methods struggle in high-dimensional settings, as it is difficult to accurately compare probability distributions based on finite samples. In this work we propose DRE-\infty, a divide-and-conquer approach to reduce DRE to a series of easier subproblems. Inspired by Monte Carlo methods, we smoothly interpolate between the two distributions via an infinite continuum of intermediate bridge distributions. We then estimate the instantaneous rate of change of the bridge distributions indexed by time (the "time score") -- a quantity defined analogously to data (Stein) scores -- with a novel time score matching objective. Crucially, the learned time scores can then be integrated to compute the desired density ratio. In addition, we show that traditional (Stein) scores can be used to obtain integration paths that connect regions of high density in both distributions, improving performance in practice. Empirically, we demonstrate that our approach performs well on downstream tasks such as mutual information estimation and energy-based modeling on complex, high-dimensional datasets.
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The increasing use of machine learning in high-stakes domains -- where people's livelihoods are impacted -- creates an urgent need for interpretable and fair algorithms. In these settings it is also critical for such algorithms to be accurate. With these needs in mind, we propose a mixed integer optimization (MIO) framework for learning optimal classification trees of fixed depth that can be conveniently augmented with arbitrary domain specific fairness constraints. We benchmark our method against the state-of-the-art approach for building fair trees on popular datasets; given a fixed discrimination threshold, our approach improves out-of-sample (OOS) accuracy by 2.3 percentage points on average and obtains a higher OOS accuracy on 88.9% of the experiments. We also incorporate various algorithmic fairness notions into our method, showcasing its versatile modeling power that allows decision makers to fine-tune the trade-off between accuracy and fairness.
The saddlepoint approximation gives an approximation to the density of a random variable in terms of its moment generating function. When the underlying random variable is itself the sum of $n$ unobserved i.i.d. terms, the basic classical result is that the relative error in the density is of order $1/n$. If instead the approximation is interpreted as a likelihood and maximised as a function of model parameters, the result is an approximation to the maximum likelihood estimate (MLE) that can be much faster to compute than the true MLE. This paper proves the analogous basic result for the approximation error between the saddlepoint MLE and the true MLE: subject to certain explicit identifiability conditions, the error has asymptotic size $O(1/n^2)$ for some parameters, and $O(1/n^{3/2})$ or $O(1/n)$ for others. In all three cases, the approximation errors are asymptotically negligible compared to the inferential uncertainty. The proof is based on a factorisation of the saddlepoint likelihood into an exact and approximate term, along with an analysis of the approximation error in the gradient of the log-likelihood. This factorisation also gives insight into alternatives to the saddlepoint approximation, including a new and simpler saddlepoint approximation, for which we derive analogous error bounds. As a corollary of our results, we also obtain the asymptotic size of the MLE error approximation when the saddlepoint approximation is replaced by the normal approximation.
Structural matrix-variate observations routinely arise in diverse fields such as multi-layer network analysis and brain image clustering. While data of this type have been extensively investigated with fruitful outcomes being delivered, the fundamental questions like its statistical optimality and computational limit are largely under-explored. In this paper, we propose a low-rank Gaussian mixture model (LrMM) assuming each matrix-valued observation has a planted low-rank structure. Minimax lower bounds for estimating the underlying low-rank matrix are established allowing a whole range of sample sizes and signal strength. Under a minimal condition on signal strength, referred to as the information-theoretical limit or statistical limit, we prove the minimax optimality of a maximum likelihood estimator which, in general, is computationally infeasible. If the signal is stronger than a certain threshold, called the computational limit, we design a computationally fast estimator based on spectral aggregation and demonstrate its minimax optimality. Moreover, when the signal strength is smaller than the computational limit, we provide evidences based on the low-degree likelihood ratio framework to claim that no polynomial-time algorithm can consistently recover the underlying low-rank matrix. Our results reveal multiple phase transitions in the minimax error rates and the statistical-to-computational gap. Numerical experiments confirm our theoretical findings. We further showcase the merit of our spectral aggregation method on the worldwide food trading dataset.
In countries where population census and sample survey data are limited, generating accurate subnational estimates of health and demographic indicators is challenging. Existing model-based geostatistical methods leverage covariate information and spatial smoothing to reduce the variability of estimates but often assume the survey design is ignorable, which may be inappropriate given the complex design of household surveys typically used in this context. On the other hand, small area estimation approaches common in the survey statistics literature do not incorporate both unit-level covariate information and spatial smoothing in a design-consistent way. We propose a new smoothed model-assisted estimator that accounts for survey design and leverages both unit-level covariates and spatial smoothing, bridging the survey statistics and model-based geostatistics perspectives. Under certain assumptions, the new estimator can be viewed as both design-consistent and model-consistent, offering potential benefits from both perspectives. We demonstrate our estimator's performance using both real and simulated data, comparing it with existing design-based and model-based estimators.
Tilt-series alignment is crucial to obtaining high-resolution reconstructions in cryo-electron tomography. Beam-induced local deformation of the sample is hard to estimate from the low-contrast sample alone, and often requires fiducial gold bead markers. The state-of-the-art approach for deformation estimation uses (semi-)manually labelled marker locations in projection data to fit the parameters of a polynomial deformation model. Manually-labelled marker locations are difficult to obtain when data are noisy or markers overlap in projection data. We propose an alternative mathematical approach for simultaneous marker localization and deformation estimation by extending a grid-free super-resolution algorithm first proposed in the context of single-molecule localization microscopy. Our approach does not require labelled marker locations; instead, we use an image-based loss where we compare the forward projection of markers with the observed data. We equip this marker localization scheme with an additional deformation estimation component and solve for a reduced number of deformation parameters. Using extensive numerical studies on marker-only samples, we show that our approach automatically finds markers and reliably estimates sample deformation without labelled marker data. We further demonstrate the applicability of our approach for a broad range of model mismatch scenarios, including experimental electron tomography data of gold markers on ice.
The additive hazards model specifies the effect of covariates on the hazard in an additive way, in contrast to the popular Cox model, in which it is multiplicative. As non-parametric model, it offers a very flexible way of modeling time-varying covariate effects. It is most commonly estimated by ordinary least squares. In this paper we consider the case where covariates are bounded, and derive the maximum likelihood estimator under the constraint that the hazard is non-negative for all covariate values in their domain. We describe an efficient algorithm to find the maximum likelihood estimator. The method is contrasted with the ordinary least squares approach in a simulation study, and the method is illustrated on a realistic data set.
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
Implicit probabilistic models are models defined naturally in terms of a sampling procedure and often induces a likelihood function that cannot be expressed explicitly. We develop a simple method for estimating parameters in implicit models that does not require knowledge of the form of the likelihood function or any derived quantities, but can be shown to be equivalent to maximizing likelihood under some conditions. Our result holds in the non-asymptotic parametric setting, where both the capacity of the model and the number of data examples are finite. We also demonstrate encouraging experimental results.
Data augmentation has been widely used for training deep learning systems for medical image segmentation and plays an important role in obtaining robust and transformation-invariant predictions. However, it has seldom been used at test time for segmentation and not been formulated in a consistent mathematical framework. In this paper, we first propose a theoretical formulation of test-time augmentation for deep learning in image recognition, where the prediction is obtained through estimating its expectation by Monte Carlo simulation with prior distributions of parameters in an image acquisition model that involves image transformations and noise. We then propose a novel uncertainty estimation method based on the formulated test-time augmentation. Experiments with segmentation of fetal brains and brain tumors from 2D and 3D Magnetic Resonance Images (MRI) showed that 1) our test-time augmentation outperforms a single-prediction baseline and dropout-based multiple predictions, and 2) it provides a better uncertainty estimation than calculating the model-based uncertainty alone and helps to reduce overconfident incorrect predictions.
This paper addresses the problem of viewpoint estimation of an object in a given image. It presents five key insights that should be taken into consideration when designing a CNN that solves the problem. Based on these insights, the paper proposes a network in which (i) The architecture jointly solves detection, classification, and viewpoint estimation. (ii) New types of data are added and trained on. (iii) A novel loss function, which takes into account both the geometry of the problem and the new types of data, is propose. Our network improves the state-of-the-art results for this problem by 9.8%.
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