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Register a new userConditioning by adaptive sampling for robust design
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We present a new method for design problems wherein the goal is to maximize or specify the value of one or more properties of interest. For example, in protein design, one may wish to find the protein sequence that maximizes fluorescence. We assume access to one or more, potentially black box, stochastic oracle predictive functions, each of which maps from input (e.g., protein sequences) design space to a distribution over a property of interest (e.g. protein fluorescence). At first glance, this problem can be framed as one of optimizing the oracle(s) with respect to the input. However, many state-of-the-art predictive models, such as neural networks, are known to suffer from pathologies, especially for data far from the training distribution. Thus we need to modulate the optimization of the oracle inputs with prior knowledge about what makes `realistic inputs (e.g., proteins that stably fold). Herein, we propose a new method to solve this problem, Conditioning by Adaptive Sampling, which yields state-of-the-art results on a protein fluorescence problem, as compared to other recently published approaches. Formally, our method achieves its success by using model-based adaptive sampling to estimate the conditional distribution of the input sequences given the desired properties.
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We present a probabilistic modeling framework and adaptive sampling algorithm wherein unsupervised generative models are combined with black box predictive models to tackle the problem of input design. In input design, one is given one or more stochastic oracle predictive functions, each of which maps from the input design space (e.g. DNA sequences or images) to a distribution over a property of interest (e.g. protein fluorescence or image content). Given such stochastic oracles, the problem is to find an input that is expected to maximize one or more properties, or to achieve a specified value of one or more properties, or any combination thereof. We demonstrate experimentally that our approach substantially outperforms other recently presented methods for tackling a specific version of this problem, namely, maximization when the oracle is assumed to be deterministic and unbiased. We also demonstrate that our method can tackle more gener
Robust loss minimization is an important strategy for handling robust learning issue on noisy labels. Current robust loss functions, however, inevitably involve hyperparameter(s) to be tuned, manually or heuristically through cross validation, which makes them fairly hard to be generally applied in practice. Besides, the non-convexity brought by the loss as well as the complicated network architecture makes it easily trapped into an unexpected solution with poor generalization capability. To address above issues, we propose a meta-learning method capable of adaptively learning hyperparameter in robust loss functions. Specifically, through mutual amelioration between robust loss hyperparameter and network parameters in our method, both of them can be simultaneously finely learned and coordinated to attain solutions with good generalization capability. Four kinds of SOTA robust loss functions are attempted to be integrated into our algorithm, and comprehensive experiments substantiate the general availability and effectiveness of the proposed method in both its accuracy and generalization performance, as compared with conventional hyperparameter tuning strategy, even with carefully tuned hyperparameters.
Neural Machine Translation (NMT) models often lack diversity in their generated translations, even when paired with search algorithm, like beam search. A challenge is that the diversity in translations are caused by the variability in the target language, and cannot be inferred from the source sentence alone. In this paper, we propose to explicitly model this one-to-many mapping by conditioning the decoder of a NMT model on a latent variable that represents the domain of target sentences. The domain is a discrete variable generated by a target encoder that is jointly trained with the NMT model. The predicted domain of target sentences are given as input to the decoder during training. At inference, we can generate diverse translations by decoding with different domains. Unlike our strongest baseline (Shen et al., 2019), our method can scale to any number of domains without affecting the performance or the training time. We assess the quality and diversity of translations generated by our model with several metrics, on three different datasets.
Program synthesis has emerged as a successful approach to the image parsing task. Most prior works rely on a two-step scheme involving supervised pretraining of a Seq2Seq model with synthetic programs followed by reinforcement learning (RL) for fine-tuning with real reference images. Fully unsupervised approaches promise to train the model directly on the target images without requiring curated pretraining datasets. However, they struggle with the inherent sparsity of meaningful programs in the search space. In this paper, we present the first unsupervised algorithm capable of parsing constructive solid geometry (CSG) images into context-free grammar (CFG) without pretraining via non-differentiable renderer. To tackle the emph{non-Markovian} sparse reward problem, we combine three key ingredients -- (i) a grammar-encoded tree LSTM ensuring program validity (ii) entropy regularization and (iii) sampling without replacement from the CFG syntax tree. Empirically, our algorithm recovers meaningful programs in large search spaces (up to $3.8 times 10^{28}$). Further, even though our approach is fully unsupervised, it generalizes better than supervised methods on the synthetic 2D CSG dataset. On the 2D computer aided design (CAD) dataset, our approach significantly outperforms the supervised pretrained model and is competitive to the refined model.
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.
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