Producing an accurate weather forecast and a reliable quantification of its uncertainty is an open scientific challenge. Ensemble forecasting is, so far, the most successful approach to produce relevant forecasts along with an estimation of their uncertainty. The main limitations of ensemble forecasting are the high computational cost and the difficulty to capture and quantify different sources of uncertainty, particularly those associated with model errors. In this work proof-of-concept model experiments are conducted to examine the performance of ANNs trained to predict a corrected state of the system and the state uncertainty using only a single deterministic forecast as input. We compare different training strategies: one based on a direct training using the mean and spread of an ensemble forecast as target, the other ones rely on an indirect training strategy using a deterministic forecast as target in which the uncertainty is implicitly learned from the data. For the last approach two alternative loss functions are proposed and evaluated, one based on the data observation likelihood and the other one based on a local estimation of the error. The performance of the networks is examined at different lead times and in scenarios with and without model errors. Experiments using the Lorenz'96 model show that the ANNs are able to emulate some of the properties of ensemble forecasts like the filtering of the most unpredictable modes and a state-dependent quantification of the forecast uncertainty. Moreover, ANNs provide a reliable estimation of the forecast uncertainty in the presence of model error.
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Current practices in metric evaluation focus on one single dataset, e.g., Newstest dataset in each year's WMT Metrics Shared Task. However, in this paper, we qualitatively and quantitatively show that the performances of metrics are sensitive to data. The ranking of metrics varies when the evaluation is conducted on different datasets. Then this paper further investigates two potential hypotheses, i.e., insignificant data points and the deviation of Independent and Identically Distributed (i.i.d) assumption, which may take responsibility for the issue of data variance. In conclusion, our findings suggest that when evaluating automatic translation metrics, researchers should take data variance into account and be cautious to claim the result on a single dataset, because it may leads to inconsistent results with most of other datasets.
The number of information systems (IS) studies dealing with explainable artificial intelligence (XAI) is currently exploding as the field demands more transparency about the internal decision logic of machine learning (ML) models. However, most techniques subsumed under XAI provide post-hoc-analytical explanations, which have to be considered with caution as they only use approximations of the underlying ML model. Therefore, our paper investigates a series of intrinsically interpretable ML models and discusses their suitability for the IS community. More specifically, our focus is on advanced extensions of generalized additive models (GAM) in which predictors are modeled independently in a non-linear way to generate shape functions that can capture arbitrary patterns but remain fully interpretable. In our study, we evaluate the prediction qualities of five GAMs as compared to six traditional ML models and assess their visual outputs for model interpretability. On this basis, we investigate their merits and limitations and derive design implications for further improvements.
We present a data-efficient framework for solving sequential decision-making problems which exploits the combination of reinforcement learning (RL) and latent variable generative models. The framework, called GenRL, trains deep policies by introducing an action latent variable such that the feed-forward policy search can be divided into two parts: (i) training a sub-policy that outputs a distribution over the action latent variable given a state of the system, and (ii) unsupervised training of a generative model that outputs a sequence of motor actions conditioned on the latent action variable. GenRL enables safe exploration and alleviates the data-inefficiency problem as it exploits prior knowledge about valid sequences of motor actions. Moreover, we provide a set of measures for evaluation of generative models such that we are able to predict the performance of the RL policy training prior to the actual training on a physical robot. We experimentally determine the characteristics of generative models that have most influence on the performance of the final policy training on two robotics tasks: shooting a hockey puck and throwing a basketball. Furthermore, we empirically demonstrate that GenRL is the only method which can safely and efficiently solve the robotics tasks compared to two state-of-the-art RL methods.
Evaluation of keyword spotting (KWS) systems that detect keywords in speech is a challenging task under realistic privacy constraints. The KWS is designed to only collect data when the keyword is present, limiting the availability of hard samples that may contain false negatives, and preventing direct estimation of model recall from production data. Alternatively, complementary data collected from other sources may not be fully representative of the real application. In this work, we propose an evaluation technique which we call AB/BA analysis. Our framework evaluates a candidate KWS model B against a baseline model A, using cross-dataset offline decoding for relative recall estimation, without requiring negative examples. Moreover, we propose a formulation with assumptions that allow estimation of relative false positive rate between models with low variance even when the number of false positives is small. Finally, we propose to leverage machine-generated soft labels, in a technique we call Semi-Supervised AB/BA analysis, that improves the analysis time, privacy, and cost. Experiments with both simulation and real data show that AB/BA analysis is successful at measuring recall improvement in conjunction with the trade-off in relative false positive rate.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
Due to their increasing spread, confidence in neural network predictions became more and more important. However, basic neural networks do not deliver certainty estimates or suffer from over or under confidence. Many researchers have been working on understanding and quantifying uncertainty in a neural network's prediction. As a result, different types and sources of uncertainty have been identified and a variety of approaches to measure and quantify uncertainty in neural networks have been proposed. This work gives a comprehensive overview of uncertainty estimation in neural networks, reviews recent advances in the field, highlights current challenges, and identifies potential research opportunities. It is intended to give anyone interested in uncertainty estimation in neural networks a broad overview and introduction, without presupposing prior knowledge in this field. A comprehensive introduction to the most crucial sources of uncertainty is given and their separation into reducible model uncertainty and not reducible data uncertainty is presented. The modeling of these uncertainties based on deterministic neural networks, Bayesian neural networks, ensemble of neural networks, and test-time data augmentation approaches is introduced and different branches of these fields as well as the latest developments are discussed. For a practical application, we discuss different measures of uncertainty, approaches for the calibration of neural networks and give an overview of existing baselines and implementations. Different examples from the wide spectrum of challenges in different fields give an idea of the needs and challenges regarding uncertainties in practical applications. Additionally, the practical limitations of current methods for mission- and safety-critical real world applications are discussed and an outlook on the next steps towards a broader usage of such methods is given.
The Bayesian paradigm has the potential to solve core issues of deep neural networks such as poor calibration and data inefficiency. Alas, scaling Bayesian inference to large weight spaces often requires restrictive approximations. In this work, we show that it suffices to perform inference over a small subset of model weights in order to obtain accurate predictive posteriors. The other weights are kept as point estimates. This subnetwork inference framework enables us to use expressive, otherwise intractable, posterior approximations over such subsets. In particular, we implement subnetwork linearized Laplace: We first obtain a MAP estimate of all weights and then infer a full-covariance Gaussian posterior over a subnetwork. We propose a subnetwork selection strategy that aims to maximally preserve the model's predictive uncertainty. Empirically, our approach is effective compared to ensembles and less expressive posterior approximations over full networks.
This paper focuses on the expected difference in borrower's repayment when there is a change in the lender's credit decisions. Classical estimators overlook the confounding effects and hence the estimation error can be magnificent. As such, we propose another approach to construct the estimators such that the error can be greatly reduced. The proposed estimators are shown to be unbiased, consistent, and robust through a combination of theoretical analysis and numerical testing. Moreover, we compare the power of estimating the causal quantities between the classical estimators and the proposed estimators. The comparison is tested across a wide range of models, including linear regression models, tree-based models, and neural network-based models, under different simulated datasets that exhibit different levels of causality, different degrees of nonlinearity, and different distributional properties. Most importantly, we apply our approaches to a large observational dataset provided by a global technology firm that operates in both the e-commerce and the lending business. We find that the relative reduction of estimation error is strikingly substantial if the causal effects are accounted for correctly.
Ensembles over neural network weights trained from different random initialization, known as deep ensembles, achieve state-of-the-art accuracy and calibration. The recently introduced batch ensembles provide a drop-in replacement that is more parameter efficient. In this paper, we design ensembles not only over weights, but over hyperparameters to improve the state of the art in both settings. For best performance independent of budget, we propose hyper-deep ensembles, a simple procedure that involves a random search over different hyperparameters, themselves stratified across multiple random initializations. Its strong performance highlights the benefit of combining models with both weight and hyperparameter diversity. We further propose a parameter efficient version, hyper-batch ensembles, which builds on the layer structure of batch ensembles and self-tuning networks. The computational and memory costs of our method are notably lower than typical ensembles. On image classification tasks, with MLP, LeNet, and Wide ResNet 28-10 architectures, our methodology improves upon both deep and batch ensembles.
Many tasks in natural language processing can be viewed as multi-label classification problems. However, most of the existing models are trained with the standard cross-entropy loss function and use a fixed prediction policy (e.g., a threshold of 0.5) for all the labels, which completely ignores the complexity and dependencies among different labels. In this paper, we propose a meta-learning method to capture these complex label dependencies. More specifically, our method utilizes a meta-learner to jointly learn the training policies and prediction policies for different labels. The training policies are then used to train the classifier with the cross-entropy loss function, and the prediction policies are further implemented for prediction. Experimental results on fine-grained entity typing and text classification demonstrate that our proposed method can obtain more accurate multi-label classification results.
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