Deep ensembles have recently gained popularity in the deep learning community for their conceptual simplicity and efficiency. However, maintaining functional diversity between ensemble members that are independently trained with gradient descent is challenging. This can lead to pathologies when adding more ensemble members, such as a saturation of the ensemble performance, which converges to the performance of a single model. Moreover, this does not only affect the quality of its predictions, but even more so the uncertainty estimates of the ensemble, and thus its performance on out-of-distribution data. We hypothesize that this limitation can be overcome by discouraging different ensemble members from collapsing to the same function. To this end, we introduce a kernelized repulsive term in the update rule of the deep ensembles. We show that this simple modification not only enforces and maintains diversity among the members but, even more importantly, transforms the maximum a posteriori inference into proper Bayesian inference. Namely, we show that the training dynamics of our proposed repulsive ensembles follow a Wasserstein gradient flow of the KL divergence with the true posterior. We study repulsive terms in weight and function space and empirically compare their performance to standard ensembles and Bayesian baselines on synthetic and real-world prediction tasks.
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Score-based methods represented as stochastic differential equations on a continuous time domain have recently proven successful as a non-adversarial generative model. Training such models relies on denoising score matching, which can be seen as multi-scale denoising autoencoders. Here, we augment the denoising score-matching framework to enable representation learning without any supervised signal. GANs and VAEs learn representations by directly transforming latent codes to data samples. In contrast, the introduced diffusion based representation learning relies on a new formulation of the denoising score-matching objective and thus encodes information needed for denoising. We illustrate how this difference allows for manual control of the level of details encoded in the representation. Using the same approach, we propose to learn an infinite-dimensional latent code which achieves improvements of state-of-the-art models on semi-supervised image classification. As a side contribution, we show how adversarial training in score-based models can improve sample quality and improve sampling speed using a new approximation of the prior at smaller noise scales.
Learning vector autoregressive models from multivariate time series is conventionally approached through least squares or maximum likelihood estimation. These methods typically assume a fully connected model which provides no direct insight to the model structure and may lead to highly noisy estimates of the parameters. Because of these limitations, there has been an increasing interest towards methods that produce sparse estimates through penalized regression. However, such methods are computationally intensive and may become prohibitively time-consuming when the number of variables in the model increases. In this paper we adopt an approximate Bayesian approach to the learning problem by combining fractional marginal likelihood and pseudo-likelihood. We propose a novel method, PLVAR, that is both faster and produces more accurate estimates than the state-of-the-art methods based on penalized regression. We prove the consistency of the PLVAR estimator and demonstrate the attractive performance of the method on both simulated and real-world data.
We present two methods to reduce the complexity of Bayesian network (BN) classifiers. First, we introduce quantization-aware training using the straight-through gradient estimator to quantize the parameters of BNs to few bits. Second, we extend a recently proposed differentiable tree-augmented naive Bayes (TAN) structure learning approach by also considering the model size. Both methods are motivated by recent developments in the deep learning community, and they provide effective means to trade off between model size and prediction accuracy, which is demonstrated in extensive experiments. Furthermore, we contrast quantized BN classifiers with quantized deep neural networks (DNNs) for small-scale scenarios which have hardly been investigated in the literature. We show Pareto optimal models with respect to model size, number of operations, and test error and find that both model classes are viable options.
This paper presents an approach for improving navigation in dynamic and interactive environments, which won the 1st place in the iGibson Interactive Navigation Challenge 2021. While the last few years have produced impressive progress on PointGoal Navigation in static environments, relatively little effort has been made on more realistic dynamic environments. The iGibson Challenge proposed two new navigation tasks, Interactive Navigation and Social Navigation, which add displaceable obstacles and moving pedestrians into the simulator environment. Our approach to study these problems uses two key ideas. First, we employ large-scale reinforcement learning by leveraging the Habitat simulator, which supports high performance parallel computing for both simulation and synchronized learning. Second, we employ a new data augmentation technique that adds more dynamic objects into the environment, which can also be combined with traditional image-based augmentation techniques to boost the performance further. Lastly, we achieve sim-to-sim transfer from Habitat to the iGibson simulator, and demonstrate that our proposed methods allow us to train robust agents in dynamic environments with interactive objects or moving humans. Video link: //www.youtube.com/watch?v=HxUX2HeOSE4
Local decision rules are commonly understood to be more explainable, due to the local nature of the patterns involved. With numerical optimization methods such as gradient boosting, ensembles of local decision rules can gain good predictive performance on data involving global structure. Meanwhile, machine learning models are being increasingly used to solve problems in high-stake domains including healthcare and finance. Here, there is an emerging consensus regarding the need for practitioners to understand whether and how those models could perform robustly in the deployment environments, in the presence of distributional shifts. Past research on local decision rules has focused mainly on maximizing discriminant patterns, without due consideration of robustness against distributional shifts. In order to fill this gap, we propose a new method to learn and ensemble local decision rules, that are robust both in the training and deployment environments. Specifically, we propose to leverage causal knowledge by regarding the distributional shifts in subpopulations and deployment environments as the results of interventions on the underlying system. We propose two regularization terms based on causal knowledge to search for optimal and stable rules. Experiments on both synthetic and benchmark datasets show that our method is effective and robust against distributional shifts in multiple environments.
Counterfactual explanations are usually generated through heuristics that are sensitive to the search's initial conditions. The absence of guarantees of performance and robustness hinders trustworthiness. In this paper, we take a disciplined approach towards counterfactual explanations for tree ensembles. We advocate for a model-based search aiming at "optimal" explanations and propose efficient mixed-integer programming approaches. We show that isolation forests can be modeled within our framework to focus the search on plausible explanations with a low outlier score. We provide comprehensive coverage of additional constraints that model important objectives, heterogeneous data types, structural constraints on the feature space, along with resource and actionability restrictions. Our experimental analyses demonstrate that the proposed search approach requires a computational effort that is orders of magnitude smaller than previous mathematical programming algorithms. It scales up to large data sets and tree ensembles, where it provides, within seconds, systematic explanations grounded on well-defined models solved to optimality.
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.
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.
We propose a novel regularizer to improve the training of Generative Adversarial Networks (GANs). The motivation is that when the discriminator D spreads out its model capacity in the right way, the learning signals given to the generator G are more informative and diverse. These in turn help G to explore better and discover the real data manifold while avoiding large unstable jumps due to the erroneous extrapolation made by D. Our regularizer guides the rectifier discriminator D to better allocate its model capacity, by encouraging the binary activation patterns on selected internal layers of D to have a high joint entropy. Experimental results on both synthetic data and real datasets demonstrate improvements in stability and convergence speed of the GAN training, as well as higher sample quality. The approach also leads to higher classification accuracies in semi-supervised learning.
Recently, ensemble has been applied to deep metric learning to yield state-of-the-art results. Deep metric learning aims to learn deep neural networks for feature embeddings, distances of which satisfy given constraint. In deep metric learning, ensemble takes average of distances learned by multiple learners. As one important aspect of ensemble, the learners should be diverse in their feature embeddings. To this end, we propose an attention-based ensemble, which uses multiple attention masks, so that each learner can attend to different parts of the object. We also propose a divergence loss, which encourages diversity among the learners. The proposed method is applied to the standard benchmarks of deep metric learning and experimental results show that it outperforms the state-of-the-art methods by a significant margin on image retrieval tasks.
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