Machine learning pipelines often rely on optimization procedures to make discrete decisions (e.g., sorting, picking closest neighbors, or shortest paths). Although these discrete decisions are easily computed, they break the back-propagation of computational graphs. In order to expand the scope of learning problems that can be solved in an end-to-end fashion, we propose a systematic method to transform optimizers into operations that are differentiable and never locally constant. Our approach relies on stochastically perturbed optimizers, and can be used readily together with existing solvers. Their derivatives can be evaluated efficiently, and smoothness tuned via the chosen noise amplitude. We also show how this framework can be connected to a family of losses developed in structured prediction, and give theoretical guarantees for their use in learning tasks. We demonstrate experimentally the performance of our approach on various tasks.
We present MT-DNN, an open-source natural language understanding (NLU) toolkit that makes it easy for researchers and developers to train customized deep learning models. Built upon PyTorch and Transformers, MT-DNN is designed to facilitate rapid customization for a broad spectrum of NLU tasks, using a variety of objectives (classification, regression, structured prediction) and text encoders (e.g., RNNs, BERT, RoBERTa, UniLM). A unique feature of MT-DNN is its built-in support for robust and transferable learning using the adversarial multi-task learning paradigm. To enable efficient production deployment, MT-DNN supports multi-task knowledge distillation, which can substantially compress a deep neural model without significant performance drop. We demonstrate the effectiveness of MT-DNN on a wide range of NLU applications across general and biomedical domains. The software and pre-trained models will be publicly available at https://github.com/namisan/mt-dnn.
Many sequence-to-sequence generation tasks, including machine translation and text-to-speech, can be posed as estimating the density of the output y given the input x: p(y|x). Given this interpretation, it is natural to evaluate sequence-to-sequence models using conditional log-likelihood on a test set. However, the goal of sequence-to-sequence generation (or structured prediction) is to find the best output y^ given an input x, and each task has its own downstream metric R that scores a model output by comparing against a set of references y*: R(y^, y* | x). While we hope that a model that excels in density estimation also performs well on the downstream metric, the exact correlation has not been studied for sequence generation tasks. In this paper, by comparing several density estimators on five machine translation tasks, we find that the correlation between rankings of models based on log-likelihood and BLEU varies significantly depending on the range of the model families being compared. First, log-likelihood is highly correlated with BLEU when we consider models within the same family (e.g. autoregressive models, or latent variable models with the same parameterization of the prior). However, we observe no correlation between rankings of models across different families: (1) among non-autoregressive latent variable models, a flexible prior distribution is better at density estimation but gives worse generation quality than a simple prior, and (2) autoregressive models offer the best translation performance overall, while latent variable models with a normalizing flow prior give the highest held-out log-likelihood across all datasets. Therefore, we recommend using a simple prior for the latent variable non-autoregressive model when fast generation speed is desired.
Uncertainty estimation is important for ensuring safety and robustness of AI systems. While most research in the area has focused on un-structured prediction tasks, limited work has investigated general uncertainty estimation approaches for structured prediction. Thus, this work aims to investigate uncertainty estimation for autoregressive structured prediction tasks within a single unified and interpretable probabilistic ensemble-based framework. We consider: uncertainty estimation for sequence data at the token-level and complete sequence-level; interpretations for, and applications of, various measures of uncertainty; and discuss both the theoretical and practical challenges associated with obtaining them. This work also provides baselines for token-level and sequence-level error detection, and sequence-level out-of-domain input detection on the WMT'14 English-French and WMT'17 English-German translation and LibriSpeech speech recognition datasets.
We derive an unbiased estimator for expectations over discrete random variables based on sampling without replacement, which reduces variance as it avoids duplicate samples. We show that our estimator can be derived as the Rao-Blackwellization of three different estimators. Combining our estimator with REINFORCE, we obtain a policy gradient estimator and we reduce its variance using a built-in control variate which is obtained without additional model evaluations. The resulting estimator is closely related to other gradient estimators. Experiments with a toy problem, a categorical Variational Auto-Encoder and a structured prediction problem show that our estimator is the only estimator that is consistently among the best estimators in both high and low entropy settings.
We propose and analyze a novel theoretical and algorithmic framework for structured prediction. While so far the term has referred to discrete output spaces, here we consider more general settings, such as manifolds or spaces of probability measures. We define structured prediction as a problem where the output space lacks a vectorial structure. We identify and study a large class of loss functions that implicitly defines a suitable geometry on the problem. The latter is the key to develop an algorithmic framework amenable to a sharp statistical analysis and yielding efficient computations. When dealing with output spaces with infinite cardinality, a suitable implicit formulation of the estimator is shown to be crucial.
The literature on structured prediction for NLP describes a rich collection of distributions and algorithms over sequences, segmentations, alignments, and trees; however, these algorithms are difficult to utilize in deep learning frameworks. We introduce Torch-Struct, a library for structured prediction designed to take advantage of and integrate with vectorized, auto-differentiation based frameworks. Torch-Struct includes a broad collection of probabilistic structures accessed through a simple and flexible distribution-based API that connects to any deep learning model. The library utilizes batched, vectorized operations and exploits auto-differentiation to produce readable, fast, and testable code. Internally, we also include a number of general-purpose optimizations to provide cross-algorithm efficiency. Experiments show significant performance gains over fast baselines and case-studies demonstrate the benefits of the library. Torch-Struct is available at https://github.com/harvardnlp/pytorch-struct.
Structured prediction requires manipulating a large number of combinatorial structures, e.g., dependency trees or alignments, either as latent or output variables. Recently, the SparseMAP method has been proposed as a differentiable, sparse alternative to maximum a posteriori (MAP) and marginal inference. SparseMAP returns a combination of a small number of structures, a desirable property in some downstream applications. However, SparseMAP requires a tractable MAP inference oracle. This excludes, e.g., loopy graphical models or factor graphs with logic constraints, which generally require approximate inference. In this paper, we introduce LP-SparseMAP, an extension of SparseMAP that addresses this limitation via a local polytope relaxation. LP-SparseMAP uses the flexible and powerful domain specific language of factor graphs for defining and backpropagating through arbitrary hidden structure, supporting coarse decompositions, hard logic constraints, and higher-order correlations. We derive the forward and backward algorithms needed for using LP-SparseMAP as a hidden or output layer. Experiments in three structured prediction tasks show benefits compared to SparseMAP and Structured SVM.
Active learning methods, like uncertainty sampling, combined with probabilistic prediction techniques have achieved success in various problems like image classification and text classification. For more complex multivariate prediction tasks, the relationships between labels play an important role in designing structured classifiers with better performance. However, computational time complexity limits prevalent probabilistic methods from effectively supporting active learning. Specifically, while non-probabilistic methods based on structured support vector machines can be tractably applied to predicting bipartite matchings, conditional random fields are intractable for these structures. We propose an adversarial approach for active learning with structured prediction domains that is tractable for matching. We evaluate this approach algorithmically in an important structured prediction problems: object tracking in videos. We demonstrate better accuracy and computational efficiency for our proposed method.
Considering the worst-case scenario, junction tree algorithm remains the most general solution for exact MAP inference with polynomial run-time guarantees. Unfortunately, its main tractability assumption requires the treewidth of a corresponding MRF to be bounded strongly limiting the range of admissible applications. In fact, many practical problems in the area of structured prediction require modelling of global dependencies by either directly introducing global factors or enforcing global constraints on the prediction variables. That, however, always results in a fully-connected graph making exact inference by means of this algorithm intractable. Previous work [1]-[4] focusing on the problem of loss-augmented inference has demonstrated how efficient inference can be performed on models with specific global factors representing non-decomposable loss functions within the training regime of SSVMs. In this paper, we extend the framework for an efficient exact inference proposed in in [3] by allowing much finer interactions between the energy of the core model and the sufficient statistics of the global terms with no additional computation costs. We demonstrate the usefulness of our method in several use cases, including one that cannot be handled by any of the previous approaches. Finally, we propose a new graph transformation technique via node cloning which ensures a polynomial run-time for solving our target problem independently of the form of a corresponding clique tree. This is important for the efficiency of the main algorithm and greatly improves upon the theoretical guarantees of the previous works.
Normalizing Flows (NFs) are able to model complicated distributions p(y) with strong inter-dimensional correlations and high multimodality by transforming a simple base density p(z) through an invertible neural network under the change of variables formula. Such behavior is desirable in multivariate structured prediction tasks, where handcrafted per-pixel loss-based methods inadequately capture strong correlations between output dimensions. We present a study of conditional normalizing flows (CNFs), a class of NFs where the base density to output space mapping is conditioned on an input x, to model conditional densities p(y|x). CNFs are efficient in sampling and inference, they can be trained with a likelihood-based objective, and CNFs, being generative flows, do not suffer from mode collapse or training instabilities. We provide an effective method to train continuous CNFs for binary problems and in particular, we apply these CNFs to super-resolution and vessel segmentation tasks demonstrating competitive performance on standard benchmark datasets in terms of likelihood and conventional metrics.
The (variational) graph auto-encoder and its variants have been popularly used for representation learning on graph-structured data. While the encoder is often a powerful graph convolutional network, the decoder reconstructs the graph structure by only considering two nodes at a time, thus ignoring possible interactions among edges. On the other hand, structured prediction, which considers the whole graph simultaneously, is computationally expensive. In this paper, we utilize the well-known triadic closure property which is exhibited in many real-world networks. We propose the triad decoder, which considers and predicts the three edges involved in a local triad together. The triad decoder can be readily used in any graph-based auto-encoder. In particular, we incorporate this to the (variational) graph auto-encoder. Experiments on link prediction, node clustering and graph generation show that the use of triads leads to more accurate prediction, clustering and better preservation of the graph characteristics.
Unsupervised domain adaptation aims to address the problem of classifying unlabeled samples from the target domain whilst labeled samples are only available from the source domain and the data distributions are different in these two domains. As a result, classifiers trained from labeled samples in the source domain suffer from significant performance drop when directly applied to the samples from the target domain. To address this issue, different approaches have been proposed to learn domain-invariant features or domain-specific classifiers. In either case, the lack of labeled samples in the target domain can be an issue which is usually overcome by pseudo-labeling. Inaccurate pseudo-labeling, however, could result in catastrophic error accumulation during learning. In this paper, we propose a novel selective pseudo-labeling strategy based on structured prediction. The idea of structured prediction is inspired by the fact that samples in the target domain are well clustered within the deep feature space so that unsupervised clustering analysis can be used to facilitate accurate pseudo-labeling. Experimental results on four datasets (i.e. Office-Caltech, Office31, ImageCLEF-DA and Office-Home) validate our approach outperforms contemporary state-of-the-art methods.
AI Safety is a major concern in many deep learning applications such as autonomous driving. Given a trained deep learning model, an important natural problem is how to reliably verify the model's prediction. In this paper, we propose a novel framework -- deep verifier networks (DVN) to verify the inputs and outputs of deep discriminative models with deep generative models. Our proposed model is based on conditional variational auto-encoders with disentanglement constraints. We give both intuitive and theoretical justifications of the model. Our verifier network is trained independently with the prediction model, which eliminates the need of retraining the verifier network for a new model. We test the verifier network on out-of-distribution detection and adversarial example detection problems, as well as anomaly detection problems in structured prediction tasks such as image caption generation. We achieve state-of-the-art results in all of these problems.
Detecting the semantic types of data columns in relational tables is important for various data preparation and information retrieval tasks such as data cleaning, schema matching, data discovery, and semantic search. However, existing detection approaches either perform poorly with dirty data, support only a limited number of semantic types, fail to incorporate the table context of columns or rely on large sample sizes for training data. We introduce Sato, a hybrid machine learning model to automatically detect the semantic types of columns in tables, exploiting the signals from the context as well as the column values. Sato combines a deep learning model trained on a large-scale table corpus with topic modeling and structured prediction to achieve support-weighted and macro average F1 scores of 0.925 and 0.735, respectively, exceeding the state-of-the-art performance by a significant margin. We extensively analyze the overall and per-type performance of Sato, discussing how individual modeling components, as well as feature categories, contribute to its performance.
We propose the Graph2Graph Transformer architecture for conditioning on and predicting arbitrary graphs, and apply it to the challenging task of transition-based dependency parsing. After proposing two novel Transformer models of transition-based dependency parsing as strong baselines, we show that adding the proposed mechanisms for conditioning on and predicting graphs of Graph2Graph Transformer results in significant improvements, both with and without BERT pre-training. The novel baselines and their integration with Graph2Graph Transformer significantly outperform the state-of-the-art in traditional transition-based dependency parsing on both English Penn Treebank, and 13 languages of Universal Dependencies Treebanks. Graph2Graph Transformer can be integrated with many previous structured prediction methods, making it easy to apply to a wide range of NLP tasks.
Deep energy-based models are powerful, but pose challenges for learning and inference (Belanger and McCallum, 2016). Tu and Gimpel (2018) developed an efficient framework for energy-based models by training "inference networks" to approximate structured inference instead of using gradient descent. However, their alternating optimization approach suffers from instabilities during training, requiring additional loss terms and careful hyperparameter tuning. In this paper, we contribute several strategies to stabilize and improve this joint training of energy functions and inference networks for structured prediction. We design a compound objective to jointly train both cost-augmented and test-time inference networks along with the energy function. We propose joint parameterizations for the inference networks that encourage them to capture complementary functionality during learning. We empirically validate our strategies on two sequence labeling tasks, showing easier paths to strong performance than prior work, as well as further improvements with global energy terms.
Inferring the most likely configuration for a subset of variables of a joint distribution given the remaining ones - which we refer to as co-generation - is an important challenge that is computationally demanding for all but the simplest settings. This task has received a considerable amount of attention, particularly for classical ways of modeling distributions like structured prediction. In contrast, almost nothing is known about this task when considering recently proposed techniques for modeling high-dimensional distributions, particularly generative adversarial nets (GANs). Therefore, in this paper, we study the occurring challenges for co-generation with GANs. To address those challenges we develop an annealed importance sampling based Hamiltonian Monte Carlo co-generation algorithm. The presented approach significantly outperforms classical gradient based methods on a synthetic and on the CelebA and LSUN datasets.
For joint inference over multiple variables, a variety of structured prediction techniques have been developed to model correlations among variables and thereby improve predictions. However, many classical approaches suffer from one of two primary drawbacks: they either lack the ability to model high-order correlations among variables while maintaining computationally tractable inference, or they do not allow to explicitly model known correlations. To address this shortcoming, we introduce `Graph Structured Prediction Energy Networks,' for which we develop inference techniques that allow to both model explicit local and implicit higher-order correlations while maintaining tractability of inference. We apply the proposed method to tasks from the natural language processing and computer vision domain and demonstrate its general utility.
Gait event detection of the initial contact and toe off is essential for running gait analysis, allowing the derivation of parameters such as stance time. Heuristic-based methods exist to estimate these key gait events from tibial accelerometry. However, these methods are tailored to very specific acceleration profiles, which may offer complications when dealing with larger data sets and inherent biological variability. Therefore, this paper investigates whether a structured machine learning approach can achieve a more accurate prediction of running gait event timings from tibial accelerometry. Force-based event detection acted as the criterion measure in order to assess the accuracy, repeatability and sensitivity of the predicted gait events. A heuristic method and two structured machine learning methods were employed to derive initial contact, toe off and stance time from tibial acceleration signals. Both a structured perceptron model (median absolute error of stance time estimation: 10.00 $\pm$ 8.73 ms) and a structured recurrent neural network model (median absolute error of stance time estimation: 6.50 $\pm$ 5.74 ms) significantly outperformed the existing heuristic approach (median absolute error of stance time estimation: 11.25 $\pm$ 9.52 ms) on data from 93 rearfoot runners. Thus, results indicate that a structured recurrent neural network machine learning model offers the most accurate and consistent estimation of the gait events and its derived stance time during level overground running. The machine learning methods seem less affected by intra- and inter-subject variation within the data, allowing for accurate and efficient automated data output during rearfoot overground running. Furthermore offering possibilities for real-time monitoring and biofeedback during prolonged measurements, even outside the laboratory.