Invertible flow-based generative models are an effective method for learning to generate samples, while allowing for tractable likelihood computation and inference. However, the invertibility requirement restricts models to have the same latent dimensionality as the inputs. This imposes significant architectural, memory, and computational costs, making them more challenging to scale than other classes of generative models such as Variational Autoencoders (VAEs). We propose a generative model based on probability flows that does away with the bijectivity requirement on the model and only assumes injectivity. This also provides another perspective on regularized autoencoders (RAEs), with our final objectives resembling RAEs with specific regularizers that are derived by lower bounding the probability flow objective. We empirically demonstrate the promise of the proposed model, improving over VAEs and AEs in terms of sample quality.

We present an approximate inference method, based on a synergistic combination of R\'enyi $\alpha$-divergence variational inference (RDVI) and rejection sampling (RS). RDVI is based on minimization of R\'enyi $\alpha$-divergence $D_\alpha(p||q)$ between the true distribution $p(x)$ and a variational approximation $q(x)$; RS draws samples from a distribution $p(x) = \tilde{p}(x)/Z_{p}$ using a proposal $q(x)$, s.t. $Mq(x) \geq \tilde{p}(x), \forall x$. Our inference method is based on a crucial observation that $D_\infty(p||q)$ equals $\log M(\theta)$ where $M(\theta)$ is the optimal value of the RS constant for a given proposal $q_\theta(x)$. This enables us to develop a \emph{two-stage} hybrid inference algorithm. Stage-1 performs RDVI to learn $q_\theta$ by minimizing an estimator of $D_\alpha(p||q)$, and uses the learned $q_\theta$ to find an (approximately) optimal $\tilde{M}(\theta)$. Stage-2 performs RS using the constant $\tilde{M}(\theta)$ to improve the approximate distribution $q_\theta$ and obtain a sample-based approximation. We prove that this two-stage method allows us to learn considerably more accurate approximations of the target distribution as compared to RDVI. We demonstrate our method's efficacy via several experiments on synthetic and real datasets. For reproducibility, we provide the code for our method in the supplementary material.

It has been empirically observed that the flatness of minima obtained from training deep networks seems to correlate with better generalization. However, for deep networks with positively homogeneous activations, most measures of sharpness/flatness are not invariant to rescaling of the network parameters, corresponding to the same function. This means that the measure of flatness/sharpness can be made as small or as large as possible through rescaling, rendering the quantitative measures meaningless. In this paper we show that for deep networks with positively homogenous activations, these rescalings constitute equivalence relations, and that these equivalence relations induce a quotient manifold structure in the parameter space. Using this manifold structure and an appropriate metric, we propose a Hessian-based measure for flatness that is invariant to rescaling. We use this new measure to confirm the proposition that Large-Batch SGD minima are indeed sharper than Small-Batch SGD minima.

Learning to classify new categories based on just one or a few examples is a long-standing challenge in modern computer vision. In this work, we propose a simple yet effective method for few-shot (and one-shot) object recognition. Our approach is based on a modified auto-encoder, denoted delta-encoder, that learns to synthesize new samples for an unseen category just by seeing few examples from it. The synthesized samples are then used to train a classifier. The proposed approach learns to both extract transferable intra-class deformations, or "deltas", between same-class pairs of training examples, and to apply those deltas to the few provided examples of a novel class (unseen during training) in order to efficiently synthesize samples from that new class. The proposed method improves the state-of-the-art of one-shot object-recognition and performs comparably in the few-shot case.

Deep neural networks, trained with large amount of labeled data, can fail to generalize well when tested with examples from a target domain whose distribution differs from the training data distribution, referred as the source domain. It can be expensive or even infeasible to obtain required amount of labeled data in all possible domains. Unsupervised domain adaptation sets out to address this problem, aiming to learn a good predictive model for the target domain using labeled examples from the source domain but only unlabeled examples from the target domain. Domain alignment approaches this problem by matching the source and target feature distributions, and has been used as a key component in many state-of-the-art domain adaptation methods. However, matching the marginal feature distributions does not guarantee that the corresponding class conditional distributions will be aligned across the two domains. We propose co-regularized domain alignment for unsupervised domain adaptation, which constructs multiple diverse feature spaces and aligns source and target distributions in each of them individually, while encouraging that alignments agree with each other with regard to the class predictions on the unlabeled target examples. The proposed method is generic and can be used to improve any domain adaptation method which uses domain alignment. We instantiate it in the context of a recent state-of-the-art method and observe that it provides significant performance improvements on several domain adaptation benchmarks.

Deep neural networks, trained with large amount of labeled data, can fail to generalize well when tested with examples from a target domain whose distribution differs from the training data distribution, referred as the source domain. It can be expensive or even infeasible to obtain required amount of labeled data in all possible domains. Unsupervised domain adaptation sets out to address this problem, aiming to learn a good predictive model for the target domain using labeled examples from the source domain but only unlabeled examples from the target domain. Domain alignment approaches this problem by matching the source and target feature distributions, and has been used as a key component in many state-of-the-art domain adaptation methods. However, matching the marginal feature distributions does not guarantee that the corresponding class conditional distributions will be aligned across the two domains. We propose co-regularized domain alignment for unsupervised domain adaptation, which constructs multiple diverse feature spaces and aligns source and target distributions in each of them individually, while encouraging that alignments agree with each other with regard to the class predictions on the unlabeled target examples. The proposed method is generic and can be used to improve any domain adaptation method which uses domain alignment. We instantiate it in the context of a recent state-of-the-art method and observe that it provides significant performance improvements on several domain adaptation benchmarks.

Learning to classify new categories based on just one or a few examples is a long-standing challenge in modern computer vision. In this work, we propose a simple yet effective method for few-shot (and one-shot) object recognition. Our approach is based on a modified auto-encoder, denoted delta-encoder, that learns to synthesize new samples for an unseen category just by seeing few examples from it. The synthesized samples are then used to train a classifier. The proposed approach learns to both extract transferable intra-class deformations, or "deltas", between same-class pairs of training examples, and to apply those deltas to the few provided examples of a novel class (unseen during training) in order to efficiently synthesize samples from that new class. The proposed method improves the state-of-the-art of one-shot object-recognition and performs comparably in the few-shot case.

Transfer learning, which allows a source task to affect the inductive bias of the target task, is widely used in computer vision. The typical way of conducting transfer learning with deep neural networks is to fine-tune a model pre-trained on the source task using data from the target task. In this paper, we propose an adaptive fine-tuning approach, called SpotTune, which finds the optimal fine-tuning strategy per instance for the target data. In SpotTune, given an image from the target task, a policy network is used to make routing decisions on whether to pass the image through the fine-tuned layers or the pre-trained layers. We conduct extensive experiments to demonstrate the effectiveness of the proposed approach. Our method outperforms the traditional fine-tuning approach on 12 out of 14 standard datasets.We also compare SpotTune with other state-of-the-art fine-tuning strategies, showing superior performance. On the Visual Decathlon datasets, our method achieves the highest score across the board without bells and whistles.

Developing accurate, transferable and computationally inexpensive machine learning models can rapidly accelerate the discovery and development of new materials. Some of the major challenges involved in developing such models are, (i) limited availability of materials data as compared to other fields, (ii) lack of universal descriptor of materials to predict its various properties. The limited availability of materials data can be addressed through transfer learning, while the generic representation was recently addressed by Xie and Grossman [1], where they developed a crystal graph convolutional neural network (CGCNN) that provides a unified representation of crystals. In this work, we develop a new model (MT-CGCNN) by integrating CGCNN with transfer learning based on multi-task (MT) learning. We demonstrate the effectiveness of MT-CGCNN by simultaneous prediction of various material properties such as Formation Energy, Band Gap and Fermi Energy for a wide range of inorganic crystals (46774 materials). MT-CGCNN is able to reduce the test error when employed on correlated properties by upto 8%. The model prediction has lower test error compared to CGCNN, even when the training data is reduced by 10%. We also demonstrate our model's better performance through prediction of end user scenario related to metal/non-metal classification. These results encourage further development of machine learning approaches which leverage multi-task learning to address the aforementioned challenges in the discovery of new materials. We make MT-CGCNN's source code available to encourage reproducible research.

Deep neural networks, trained with large amount of labeled data, can fail to generalize well when tested with examples from a \emph{target domain} whose distribution differs from the training data distribution, referred as the \emph{source domain}. It can be expensive or even infeasible to obtain required amount of labeled data in all possible domains. Unsupervised domain adaptation sets out to address this problem, aiming to learn a good predictive model for the target domain using labeled examples from the source domain but only unlabeled examples from the target domain. Domain alignment approaches this problem by matching the source and target feature distributions, and has been used as a key component in many state-of-the-art domain adaptation methods. However, matching the marginal feature distributions does not guarantee that the corresponding class conditional distributions will be aligned across the two domains. We propose co-regularized domain alignment for unsupervised domain adaptation, which constructs multiple diverse feature spaces and aligns source and target distributions in each of them individually, while encouraging that alignments agree with each other with regard to the class predictions on the unlabeled target examples. The proposed method is generic and can be used to improve any domain adaptation method which uses domain alignment. We instantiate it in the context of a recent state-of-the-art method and observe that it provides significant performance improvements on several domain adaptation benchmarks.