Complete computation of turbulent combustion flow involves two separate steps: mapping reaction kinetics to low-dimensional manifolds and looking-up this approximate manifold during CFD run-time to estimate the thermo-chemical state variables. In our previous work, we showed that using a deep architecture to learn the two steps jointly, instead of separately, is 73% more accurate at estimating the source energy, a key state variable, compared to benchmarks and can be integrated within a DNS turbulent combustion framework. In their natural form, such deep architectures do not allow for uncertainty quantification of the quantities of interest: the source energy and key species source terms. In this paper, we expand on such architectures, specifically ChemTab, by introducing deep ensembles to approximate the posterior distribution of the quantities of interest. We investigate two strategies of creating these ensemble models: one that keeps the flamelet origin information (Flamelets strategy) and one that ignores the origin and considers all the data independently (Points strategy). To train these models we used flamelet data generated by the GRI--Mech 3.0 methane mechanism, which consists of 53 chemical species and 325 reactions. Our results demonstrate that the Flamelets strategy is superior in terms of the absolute prediction error for the quantities of interest, but is reliant on the types of flamelets used to train the ensemble. The Points strategy is best at capturing the variability of the quantities of interest, independent of the flamelet types. We conclude that, overall, ChemTab Deep Ensembles allows for a more accurate representation of the source energy and key species source terms, compared to the model without these modifications.
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Bayesian model comparison (BMC) offers a principled approach for assessing the relative merits of competing computational models and propagating uncertainty into model selection decisions. However, BMC is often intractable for the popular class of hierarchical models due to their high-dimensional nested parameter structure. To address this intractability, we propose a deep learning method for performing BMC on any set of hierarchical models which can be instantiated as probabilistic programs. Since our method enables amortized inference, it allows efficient re-estimation of posterior model probabilities and fast performance validation prior to any real-data application. In a series of extensive validation studies, we benchmark the performance of our method against the state-of-the-art bridge sampling method and demonstrate excellent amortized inference across all BMC settings. We then use our method to compare four hierarchical evidence accumulation models that have previously been deemed intractable for BMC due to partly implicit likelihoods. In this application, we corroborate evidence for the recently proposed L\'evy flight model of decision-making and show how transfer learning can be leveraged to enhance training efficiency. Reproducible code for all analyses is provided.
Over the past few decades, a number of methods have been proposed for causal effect estimation, yet few have been demonstrated to be effective in handling data with complex structures, such as images. To fill this gap, we propose a Causal Multi-task Deep Ensemble (CMDE) framework to learn both shared and group-specific information from the study population and prove its equivalence to a multi-task Gaussian process (GP) with coregionalization kernel a priori. Compared to multi-task GP, CMDE efficiently handles high-dimensional and multi-modal covariates and provides pointwise uncertainty estimates of causal effects. We evaluate our method across various types of datasets and tasks and find that CMDE outperforms state-of-the-art methods on a majority of these tasks.
Network binarization emerges as one of the most promising compression approaches offering extraordinary computation and memory savings by minimizing the bit-width. However, recent research has shown that applying existing binarization algorithms to diverse tasks, architectures, and hardware in realistic scenarios is still not straightforward. Common challenges of binarization, such as accuracy degradation and efficiency limitation, suggest that its attributes are not fully understood. To close this gap, we present BiBench, a rigorously designed benchmark with in-depth analysis for network binarization. We first carefully scrutinize the requirements of binarization in the actual production and define evaluation tracks and metrics for a comprehensive and fair investigation. Then, we evaluate and analyze a series of milestone binarization algorithms that function at the operator level and with extensive influence. Our benchmark reveals that 1) the binarized operator has a crucial impact on the performance and deployability of binarized networks; 2) the accuracy of binarization varies significantly across different learning tasks and neural architectures; 3) binarization has demonstrated promising efficiency potential on edge devices despite the limited hardware support. The results and analysis also lead to a promising paradigm for accurate and efficient binarization. We believe that BiBench will contribute to the broader adoption of binarization and serve as a foundation for future research.
Selecting exploratory actions that generate a rich stream of experience for better learning is a fundamental challenge in reinforcement learning (RL). An approach to tackle this problem consists in selecting actions according to specific policies for an extended period of time, also known as options. A recent line of work to derive such exploratory options builds upon the eigenfunctions of the graph Laplacian. Importantly, until now these methods have been mostly limited to tabular domains where (1) the graph Laplacian matrix was either given or could be fully estimated, (2) performing eigendecomposition on this matrix was computationally tractable, and (3) value functions could be learned exactly. Additionally, these methods required a separate option discovery phase. These assumptions are fundamentally not scalable. In this paper we address these limitations and show how recent results for directly approximating the eigenfunctions of the Laplacian can be leveraged to truly scale up options-based exploration. To do so, we introduce a fully online deep RL algorithm for discovering Laplacian-based options and evaluate our approach on a variety of pixel-based tasks. We compare to several state-of-the-art exploration methods and show that our approach is effective, general, and especially promising in non-stationary settings.
Humans often demonstrate diverse behaviors due to their personal preferences, for instance related to their individual execution style or personal margin for safety. In this paper, we consider the problem of integrating such preferences into trajectory planning for robotic manipulators. We first learn reward functions that represent the user path and motion preferences from kinesthetic demonstration. We then use a discrete-time trajectory optimization scheme to produce trajectories that adhere to both task requirements and user preferences. We go beyond the state of art by designing a feature set that captures the fundamental preferences in a manipulation task, such as timing of the motion. We further demonstrate that our method is capable of generalizing such preferences to new scenarios. We implement our algorithm on a Franka Emika 7-DoF robot arm, and validate the functionality and flexibility of our approach in a user study. The results show that non-expert users are able to teach the robot their preferences with just a few iterations of feedback.
The symmetric Nonnegative Matrix Factorization (NMF), a special but important class of the general NMF, has found numerous applications in data analysis such as various clustering tasks. Unfortunately, designing fast algorithms for the symmetric NMF is not as easy as for its nonsymmetric counterpart, since the latter admits the splitting property that allows state-of-the-art alternating-type algorithms. To overcome this issue, we first split the decision variable and transform the symmetric NMF to a penalized nonsymmetric one, paving the way for designing efficient alternating-type algorithms. We then show that solving the penalized nonsymmetric reformulation returns a solution to the original symmetric NMF. Moreover, we design a family of alternating-type algorithms and show that they all admit strong convergence guarantee: the generated sequence of iterates is convergent and converges at least sublinearly to a critical point of the original symmetric NMF. Finally, we conduct experiments on both synthetic data and real image clustering to support our theoretical results and demonstrate the performance of the alternating-type algorithms.
Parametric time-dependent systems are of a crucial importance in modeling real phenomena, often characterized by non-linear behaviors too. Those solutions are typically difficult to generalize in a sufficiently wide parameter space while counting on limited computational resources available. As such, we present a general two-stages deep learning framework able to perform that generalization with low computational effort in time. It consists in a separated training of two pipe-lined predictive models. At first, a certain number of independent neural networks are trained with data-sets taken from different subsets of the parameter space. Successively, a second predictive model is specialized to properly combine the first-stage guesses and compute the right predictions. Promising results are obtained applying the framework to incompressible Navier-Stokes equations in a cavity (Rayleigh-Bernard cavity), obtaining a 97% reduction in the computational time comparing with its numerical resolution for a new value of the Grashof number.
Unsupervised domain adaptation has recently emerged as an effective paradigm for generalizing deep neural networks to new target domains. However, there is still enormous potential to be tapped to reach the fully supervised performance. In this paper, we present a novel active learning strategy to assist knowledge transfer in the target domain, dubbed active domain adaptation. We start from an observation that energy-based models exhibit free energy biases when training (source) and test (target) data come from different distributions. Inspired by this inherent mechanism, we empirically reveal that a simple yet efficient energy-based sampling strategy sheds light on selecting the most valuable target samples than existing approaches requiring particular architectures or computation of the distances. Our algorithm, Energy-based Active Domain Adaptation (EADA), queries groups of targe data that incorporate both domain characteristic and instance uncertainty into every selection round. Meanwhile, by aligning the free energy of target data compact around the source domain via a regularization term, domain gap can be implicitly diminished. Through extensive experiments, we show that EADA surpasses state-of-the-art methods on well-known challenging benchmarks with substantial improvements, making it a useful option in the open world. Code is available at //github.com/BIT-DA/EADA.
Sequential recommendation as an emerging topic has attracted increasing attention due to its important practical significance. Models based on deep learning and attention mechanism have achieved good performance in sequential recommendation. Recently, the generative models based on Variational Autoencoder (VAE) have shown the unique advantage in collaborative filtering. In particular, the sequential VAE model as a recurrent version of VAE can effectively capture temporal dependencies among items in user sequence and perform sequential recommendation. However, VAE-based models suffer from a common limitation that the representational ability of the obtained approximate posterior distribution is limited, resulting in lower quality of generated samples. This is especially true for generating sequences. To solve the above problem, in this work, we propose a novel method called Adversarial and Contrastive Variational Autoencoder (ACVAE) for sequential recommendation. Specifically, we first introduce the adversarial training for sequence generation under the Adversarial Variational Bayes (AVB) framework, which enables our model to generate high-quality latent variables. Then, we employ the contrastive loss. The latent variables will be able to learn more personalized and salient characteristics by minimizing the contrastive loss. Besides, when encoding the sequence, we apply a recurrent and convolutional structure to capture global and local relationships in the sequence. Finally, we conduct extensive experiments on four real-world datasets. The experimental results show that our proposed ACVAE model outperforms other state-of-the-art methods.
We study how to generate captions that are not only accurate in describing an image but also discriminative across different images. The problem is both fundamental and interesting, as most machine-generated captions, despite phenomenal research progresses in the past several years, are expressed in a very monotonic and featureless format. While such captions are normally accurate, they often lack important characteristics in human languages - distinctiveness for each caption and diversity for different images. To address this problem, we propose a novel conditional generative adversarial network for generating diverse captions across images. Instead of estimating the quality of a caption solely on one image, the proposed comparative adversarial learning framework better assesses the quality of captions by comparing a set of captions within the image-caption joint space. By contrasting with human-written captions and image-mismatched captions, the caption generator effectively exploits the inherent characteristics of human languages, and generates more discriminative captions. We show that our proposed network is capable of producing accurate and diverse captions across images.
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