Recently, neural networks trained as optimizers under the "learning to learn" or meta-learning framework have been shown to be effective for a broad range of optimization tasks including derivative-free black-box function optimization. Recurrent neural networks (RNNs) trained to optimize a diverse set of synthetic non-convex differentiable functions via gradient descent have been effective at optimizing derivative-free black-box functions. In this work, we propose RNN-Opt: an approach for learning RNN-based optimizers for optimizing real-parameter single-objective continuous functions under limited budget constraints. Existing approaches utilize an observed improvement based meta-learning loss function for training such models. We propose training RNN-Opt by using synthetic non-convex functions with known (approximate) optimal values by directly using discounted regret as our meta-learning loss function. We hypothesize that a regret-based loss function mimics typical testing scenarios, and would therefore lead to better optimizers compared to optimizers trained only to propose queries that improve over previous queries. Further, RNN-Opt incorporates simple yet effective enhancements during training and inference procedures to deal with the following practical challenges: i) Unknown range of possible values for the black-box function to be optimized, and ii) Practical and domain-knowledge based constraints on the input parameters. We demonstrate the efficacy of RNN-Opt in comparison to existing methods on several synthetic as well as standard benchmark black-box functions along with an anonymized industrial constrained optimization problem.
Recent work on Physics-guided deep learning @cite_22 @cite_16 incorporates domain knowledge in the learning process via additional loss terms. Such approaches can be useful in our setting if the optimizer network is to be trained from scratch for a given application. However, the purpose of building a generic optimizer that can be transferred to new applications requires incorporating domain constraints in a posterior manner during inference time when the optimizer is suggesting query points. This is not only useful to adapt the same optimizer to a new application but also useful in another practical scenario of adapting to a new set of domain constraints for a given application. ThermalNet @cite_0 uses a deep Q-network as an optimizer and uses an LSTM predictor for combustion optimization of a boiler in a power plant but does not handle domain constraints. Similar to our approach, ChemOpt @cite_23 uses an RNN based optimizer for chemical reaction optimization but does not address aspects related to handling an unknown range for the function being optimized and incorporating domain constraints.
@cite_0 @cite_16 @cite_22 @cite_23
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Abstract This paper presents a combustion optimization system for coal-fired boilers that includes a trade-off between emissions control and boiler efficiency. Designing an optimizer for this nonlinear, multiple-input multiple-output problem is challenging. This paper describes the development of an integrated combustion optimization system called ThermalNet, which is based on a deep Q-network (DQN) and a long short-term memory (LSTM) module. ThermalNet is a highly automated system consisting of an LSTM–ConvNet predictor and a DQN optimizer. The LSTM–ConvNet extracts the features of boiler behavior from the distributed control system (DCS) operational data of a supercritical thermal plant. The DQN reinforcement learning optimizer contributes to the online development of policies based on static and dynamic states. ThermalNet establishes a sequence of control actions that both reduce emissions and simultaneously enhance fuel utilization. The internal structure of the DQN optimizer demonstrates a greater representation capacity than does the shallow multilayer optimizer. The presented experiments indicate the effectiveness of the proposed optimization system. The recent advances in deep neural networks have convincingly demonstrated high capability in learning vision models on large datasets. Nevertheless, collecting expert labeled datasets especially with pixel-level annotations is an extremely expensive process. An appealing alternative is to render synthetic data (e.g., computer games) and generate ground truth automatically. However, simply applying the models learnt on synthetic images may lead to high generalization error on real images due to domain shift. In this paper, we facilitate this issue from the perspectives of both visual appearance-level and representation-level domain adaptation. The former adapts source-domain images to appear as if drawn from the "style" in the target domain and the latter attempts to learn domain-invariant representations. Specifically, we present Fully Convolutional Adaptation Networks (FCAN), a novel deep architecture for semantic segmentation which combines Appearance Adaptation Networks (AAN) and Representation Adaptation Networks (RAN). AAN learns a transformation from one domain to the other in the pixel space and RAN is optimized in an adversarial learning manner to maximally fool the domain discriminator with the learnt source and target representations. Extensive experiments are conducted on the transfer from GTA5 (game videos) to Cityscapes (urban street scenes) on semantic segmentation and our proposal achieves superior results when comparing to state-of-the-art unsupervised adaptation techniques. More remarkably, we obtain a new record: mIoU of 47.5 on BDDS (drive-cam videos) in an unsupervised setting. The recent advances in deep neural networks have convincingly demonstrated high capability in learning vision models on large datasets. Nevertheless, collecting expert labeled datasets especially with pixel-level annotations is an extremely expensive process. An appealing alternative is to render synthetic data (e.g., computer games) and generate ground truth automatically. However, simply applying the models learnt on synthetic images may lead to high generalization error on real images due to domain shift. In this paper, we facilitate this issue from the perspectives of both visual appearance-level and representation-level domain adaptation. The former adapts source-domain images to appear as if drawn from the "style" in the target domain and the latter attempts to learn domain-invariant representations. Specifically, we present Fully Convolutional Adaptation Networks (FCAN), a novel deep architecture for semantic segmentation which combines Appearance Adaptation Networks (AAN) and Representation Adaptation Networks (RAN). AAN learns a transformation from one domain to the other in the pixel space and RAN is optimized in an adversarial learning manner to maximally fool the domain discriminator with the learnt source and target representations. Extensive experiments are conducted on the transfer from GTA5 (game videos) to Cityscapes (urban street scenes) on semantic segmentation and our proposal achieves superior results when comparing to state-of-the-art unsupervised adaptation techniques. More remarkably, we obtain a new record: mIoU of 47.5 on BDDS (drive-cam videos) in an unsupervised setting. We introduce a new representation learning approach for domain adaptation, in which data at training and test time come from similar but different distributions. Our approach is directly inspired by the theory on domain adaptation suggesting that, for effective domain transfer to be achieved, predictions must be made based on features that cannot discriminate between the training (source) and test (target) domains. The approach implements this idea in the context of neural network architectures that are trained on labeled data from the source domain and unlabeled data from the target domain (no labeled target-domain data is necessary). As the training progresses, the approach promotes the emergence of features that are (i) discriminative for the main learning task on the source domain and (ii) indiscriminate with respect to the shift between the domains. We show that this adaptation behaviour can be achieved in almost any feed-forward model by augmenting it with few standard layers and a new gradient reversal layer. The resulting augmented architecture can be trained using standard backpropagation and stochastic gradient descent, and can thus be implemented with little effort using any of the deep learning packages. We demonstrate the success of our approach for two distinct classification problems (document sentiment analysis and image classification), where state-of-the-art domain adaptation performance on standard benchmarks is achieved. We also validate the approach for descriptor learning task in the context of person re-identification application. We introduce a new representation learning approach for domain adaptation, in which data at training and test time come from similar but different distributions. Our approach is directly inspired by the theory on domain adaptation suggesting that, for effective domain transfer to be achieved, predictions must be made based on features that cannot discriminate between the training (source) and test (target) domains. The approach implements this idea in the context of neural network architectures that are trained on labeled data from the source domain and unlabeled data from the target domain (no labeled target-domain data is necessary). As the training progresses, the approach promotes the emergence of features that are (i) discriminative for the main learning task on the source domain and (ii) indiscriminate with respect to the shift between the domains. We show that this adaptation behaviour can be achieved in almost any feed-forward model by augmenting it with few standard layers and a new gradient reversal layer. The resulting augmented architecture can be trained using standard backpropagation and stochastic gradient descent, and can thus be implemented with little effort using any of the deep learning packages. We demonstrate the success of our approach for two distinct classification problems (document sentiment analysis and image classification), where state-of-the-art domain adaptation performance on standard benchmarks is achieved. We also validate the approach for descriptor learning task in the context of person re-identification application. In spite of the compelling achievements that deep neural networks (DNNs) have made in medical image computing, these deep models often suffer from degraded performance when being applied to new test datasets with domain shift. In this paper, we present a novel unsupervised domain adaptation approach for segmentation tasks by designing semantic-aware generative adversarial networks (GANs). Specifically, we transform the test image into the appearance of source domain, with the semantic structural information being well preserved, which is achieved by imposing a nested adversarial learning in semantic label space. In this way, the segmentation DNN learned from the source domain is able to be directly generalized to the transformed test image, eliminating the need of training a new model for every new target dataset. Our domain adaptation procedure is unsupervised, without using any target domain labels. The adversarial learning of our network is guided by a GAN loss for mapping data distributions, a cycle-consistency loss for retaining pixel-level content, and a semantic-aware loss for enhancing structural information. We validated our method on two different chest X-ray public datasets for left right lung segmentation. Experimental results show that the segmentation performance of our unsupervised approach is highly competitive with the upper bound of supervised transfer learning. In this paper, we propose an approach to the domain adaptation, dubbed Second-or Higher-order Transfer of Knowledge (So-HoT), based on the mixture of alignments of second-or higher-order scatter statistics between the source and target domains. The human ability to learn from few labeled samples is a recurring motivation in the literature for domain adaptation. Towards this end, we investigate the supervised target scenario for which few labeled target training samples per category exist. Specifically, we utilize two CNN streams: the source and target networks fused at the classifier level. Features from the fully connected layers fc7 of each network are used to compute second-or even higher-order scatter tensors, one per network stream per class. As the source and target distributions are somewhat different despite being related, we align the scatters of the two network streams of the same class (within-class scatters) to a desired degree with our bespoke loss while maintaining good separation of the between-class scatters. We train the entire network in end-to-end fashion. We provide evaluations on the standard Office benchmark (visual domains) and RGB-D combined with Caltech256 (depth-to-rgb transfer). We attain state-of-the-art results. Numerous algorithms have been proposed for transferring knowledge from a label-rich domain (source) to a label-scarce domain (target). Most of them are proposed for closed-set scenario, where the source and the target domain completely share the class of their samples. However, in practice, a target domain can contain samples of classes that are not shared by the source domain. We call such classes the “unknown class” and algorithms that work well in the open set situation are very practical. However, most existing distribution matching methods for domain adaptation do not work well in this setting because unknown target samples should not be aligned with the source. In this paper, we propose a method for an open set domain adaptation scenario, which utilizes adversarial training. This approach allows to extract features that separate unknown target from known target samples. During training, we assign two options to the feature generator: aligning target samples with source known ones or rejecting them as unknown target ones. Our method was extensively evaluated and outperformed other methods with a large margin in most settings. 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. Feature learning with deep models has achieved impressive results for both data representation and classification for various vision tasks. Deep feature learning, however, typically requires a large amount of training data, which may not be feasible for some application domains. Transfer learning can be one of the approaches to alleviate this problem by transferring data from data-rich source domain to data-scarce target domain. Existing transfer learning methods typically perform one-shot transfer learning and often ignore the specific properties that the transferred data must satisfy. To address these issues, we introduce a constrained deep transfer feature learning method to perform simultaneous transfer learning and feature learning by performing transfer learning in a progressively improving feature space iteratively in order to better narrow the gap between the target domain and the source domain for effective transfer of the data from the source domain to target domain. Furthermore, we propose to exploit the target domain knowledge and incorporate such prior knowledge as a constraint during transfer learning to ensure that the transferred data satisfies certain properties of the target domain. To demonstrate the effectiveness of the proposed constrained deep transfer feature learning method, we apply it to thermal feature learning for eye detection by transferring from the visible domain. We also applied the proposed method for cross-view facial expression recognition as a second application. The experimental results demonstrate the effectiveness of the proposed method for both applications. In this paper, we propose a new framework called domain adaptation machine (DAM) for the multiple source domain adaption problem. Under this framework, we learn a robust decision function (referred to as target classifier) for label prediction of instances from the target domain by leveraging a set of base classifiers which are prelearned by using labeled instances either from the source domains or from the source domains and the target domain. With the base classifiers, we propose a new domain-dependent regularizer based on smoothness assumption, which enforces that the target classifier shares similar decision values with the relevant base classifiers on the unlabeled instances from the target domain. This newly proposed regularizer can be readily incorporated into many kernel methods (e.g., support vector machines (SVM), support vector regression, and least-squares SVM (LS-SVM)). For domain adaptation, we also develop two new domain adaptation methods referred to as FastDAM and UniverDAM. In FastDAM, we introduce our proposed domain-dependent regularizer into LS-SVM as well as employ a sparsity regularizer to learn a sparse target classifier with the support vectors only from the target domain, which thus makes the label prediction on any test instance very fast. In UniverDAM, we additionally make use of the instances from the source domains as Universum to further enhance the generalization ability of the target classifier. We evaluate our two methods on the challenging TRECIVD 2005 dataset for the large-scale video concept detection task as well as on the 20 newsgroups and email spam datasets for document retrieval. Comprehensive experiments demonstrate that FastDAM and UniverDAM outperform the existing multiple source domain adaptation methods for the two applications. Despite superior training outcomes, adaptive optimization methods such as Adam, Adagrad or RMSprop have been found to generalize poorly compared to Stochastic gradient descent (SGD). These methods tend to perform well in the initial portion of training but are outperformed by SGD at later stages of training. We investigate a hybrid strategy that begins training with an adaptive method and switches to SGD when appropriate. Concretely, we propose SWATS, a simple strategy which switches from Adam to SGD when a triggering condition is satisfied. The condition we propose relates to the projection of Adam steps on the gradient subspace. By design, the monitoring process for this condition adds very little overhead and does not increase the number of hyperparameters in the optimizer. We report experiments on several standard benchmarks such as: ResNet, SENet, DenseNet and PyramidNet for the CIFAR-10 and CIFAR-100 data sets, ResNet on the tiny-ImageNet data set and language modeling with recurrent networks on the PTB and WT2 data sets. The results show that our strategy is capable of closing the generalization gap between SGD and Adam on a majority of the tasks. Domain adaptation allows knowledge from a source domain to be transferred to a different but related target domain. Intuitively, discovering a good feature representation across domains is crucial. In this paper, we first propose to find such a representation through a new learning method, transfer component analysis (TCA), for domain adaptation. TCA tries to learn some transfer components across domains in a reproducing kernel Hilbert space using maximum mean miscrepancy. In the subspace spanned by these transfer components, data properties are preserved and data distributions in different domains are close to each other. As a result, with the new representations in this subspace, we can apply standard machine learning methods to train classifiers or regression models in the source domain for use in the target domain. Furthermore, in order to uncover the knowledge hidden in the relations between the data labels from the source and target domains, we extend TCA in a semisupervised learning setting, which encodes label information into transfer components learning. We call this extension semisupervised TCA. The main contribution of our work is that we propose a novel dimensionality reduction framework for reducing the distance between domains in a latent space for domain adaptation. We propose both unsupervised and semisupervised feature extraction approaches, which can dramatically reduce the distance between domain distributions by projecting data onto the learned transfer components. Finally, our approach can handle large datasets and naturally lead to out-of-sample generalization. The effectiveness and efficiency of our approach are verified by experiments on five toy datasets and two real-world applications: cross-domain indoor WiFi localization and cross-domain text classification. The recent success of deep neural networks relies on massive amounts of labeled data. For a target task where labeled data is unavailable, domain adaptation can transfer a learner from a different source domain. In this paper, we propose a new approach to domain adaptation in deep networks that can simultaneously learn adaptive classifiers and transferable features from labeled data in the source domain and unlabeled data in the target domain. We relax a shared-classifier assumption made by previous methods and assume that the source classifier and target classifier differ by a residual function. We enable classifier adaptation by plugging several layers into the deep network to explicitly learn the residual function with reference to the target classifier. We embed features of multiple layers into reproducing kernel Hilbert spaces (RKHSs) and match feature distributions for feature adaptation. The adaptation behaviors can be achieved in most feed-forward models by extending them with new residual layers and loss functions, which can be trained efficiently using standard back-propagation. Empirical evidence exhibits that the approach outperforms state of art methods on standard domain adaptation datasets. We present an adversarial domain adaptation based deep learning approach for automatic tumor segmentation from T2-weighted MRI. Our approach is composed of two steps: (i) a tumor-aware unsupervised cross-domain adaptation (CT to MRI), followed by (ii) semi-supervised tumor segmentation using Unet trained with synthesized and limited number of original MRIs. We introduced a novel target specific loss, called tumor-aware loss, for unsupervised cross-domain adaptation that helps to preserve tumors on synthesized MRIs produced from CT images. In comparison, state-of-the art adversarial networks trained without our tumor-aware loss produced MRIs with ill-preserved or missing tumors. All networks were trained using labeled CT images from 377 patients with non-small cell lung cancer obtained from the Cancer Imaging Archive and unlabeled T2w MRIs from a completely unrelated cohort of 6 patients with pre-treatment and 36 on-treatment scans. Next, we combined 6 labeled pre-treatment MRI scans with the synthesized MRIs to boost tumor segmentation accuracy through semi-supervised learning. Semi-supervised training of cycle-GAN produced a segmentation accuracy of 0.66 computed using Dice Score Coefficient (DSC). Our method trained with only synthesized MRIs produced an accuracy of 0.74 while the same method trained in semi-supervised setting produced the best accuracy of 0.80 on test. Our results show that tumor-aware adversarial domain adaptation helps to achieve reasonably accurate cancer segmentation from limited MRI data by leveraging large CT datasets. It is difficult to apply machine learning to new domains because often we lack labeled problem instances. In this paper, we provide a solution to this problem that leverages domain knowledge in the form of affinities between input features and classes. For example, in a baseball vs. hockey text classification problem, even without any labeled data, we know that the presence of the word puck is a strong indicator of hockey. We refer to this type of domain knowledge as a labeled feature. In this paper, we propose a method for training discriminative probabilistic models with labeled features and unlabeled instances. Unlike previous approaches that use labeled features to create labeled pseudo-instances, we use labeled features directly to constrain the model's predictions on unlabeled instances. We express these soft constraints using generalized expectation (GE) criteria --- terms in a parameter estimation objective function that express preferences on values of a model expectation. In this paper we train multinomial logistic regression models using GE criteria, but the method we develop is applicable to other discriminative probabilistic models. The complete objective function also includes a Gaussian prior on parameters, which encourages generalization by spreading parameter weight to unlabeled features. Experimental results on text classification data sets show that this method outperforms heuristic approaches to training classifiers with labeled features. Experiments with human annotators show that it is more beneficial to spend limited annotation time labeling features rather than labeling instances. For example, after only one minute of labeling features, we can achieve 80 accuracy on the ibm vs. mac text classification problem using GE-FL, whereas ten minutes labeling documents results in an accuracy of only 77 Current Domain Adaptation (DA) methods based on deep architectures assume that the source samples arise from a single distribution. However, in practice most datasets can be regarded as mixtures of multiple domains. In these cases exploiting single-source DA methods for learning target classifiers may lead to sub-optimal, if not poor, results. In addition, in many applications it is difficult to manually provide the domain labels for all source data points, i.e. latent domains should be automatically discovered. This paper introduces a novel Convolutional Neural Network (CNN) architecture which (i) automatically discovers latent domains in visual datasets and (ii) exploits this information to learn robust target classifiers. Our approach is based on the introduction of two main components, which can be embedded into any existing CNN architecture: (i) a side branch that automatically computes the assignment of a source sample to a latent domain and (ii) novel layers that exploit domain membership information to appropriately align the distribution of the CNN internal feature representations to a reference distribution. We test our approach on publicly-available datasets, showing that it outperforms state-of-the-art multi-source DA methods by a large margin. Abstract In the past years, data-driven approaches such as deep learning have been widely applied on machinery signal processing to develop intelligent fault diagnosis systems. In real-world applications, domain shift problem usually occurs where the distribution of the labeled training data, denoted as source domain, is different from that of the unlabeled testing data, known as target domain. That results in serious diagnosis performance degradation. This paper proposes a novel domain adaptation method for rolling bearing fault diagnosis based on deep learning techniques. A deep convolutional neural network is used as the main architecture. The multi-kernel maximum mean discrepancies (MMD) between the two domains in multiple layers are minimized to adapt the learned representations from supervised learning in the source domain to be applied in the target domain. The domain-invariant features can be efficiently extracted in this way, and the cross-domain testing performance can be significantly improved. Experiments on two rolling bearing datasets are carried out to validate the effectiveness of the domain adaptation approach. Comparisons with other approaches and related works demonstrate the superiority of the proposed method. The experimental results of this study suggest the proposed domain adaptation method offers a new and promising tool for intelligent fault diagnosis. We present a framework, which we call Molecule Deep @math -Networks (MolDQN), for molecule optimization by combining domain knowledge of chemistry and state-of-the-art reinforcement learning techniques (prioritized experience replay, double @math -learning, and randomized value functions). We directly define modifications on molecules, thereby ensuring 100 chemical validity. Further, we operate without pre-training on any dataset to avoid possible bias from the choice of that set. As a result, our model outperforms several other state-of-the-art algorithms by having a higher success rate of acquiring molecules with better properties. Inspired by problems faced during medicinal chemistry lead optimization, we extend our model with multi-objective reinforcement learning, which maximizes drug-likeness while maintaining similarity to the original molecule. We further show the path through chemical space to achieve optimization for a molecule to understand how the model works. Convolutional networks (ConvNets) have achieved great successes in various challenging vision tasks. However, the performance of ConvNets would degrade when encountering the domain shift. The domain adaptation is more significant while challenging in the field of biomedical image analysis, where cross-modality data have largely different distributions. Given that annotating the medical data is especially expensive, the supervised transfer learning approaches are not quite optimal. In this paper, we propose an unsupervised domain adaptation framework with adversarial learning for cross-modality biomedical image segmentations. Specifically, our model is based on a dilated fully convolutional network for pixel-wise prediction. Moreover, we build a plug-and-play domain adaptation module (DAM) to map the target input to features which are aligned with source domain feature space. A domain critic module (DCM) is set up for discriminating the feature space of both domains. We optimize the DAM and DCM via an adversarial loss without using any target domain label. Our proposed method is validated by adapting a ConvNet trained with MRI images to unpaired CT data for cardiac structures segmentations, and achieved very promising results.