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Computational design problems arise in a number of settings, from synthetic biology to computer architectures. In this paper, we aim to solve data-driven model-based optimization (MBO) problems, where the goal is to find a design input that maximizes an unknown objective function provided access to only a static dataset of prior experiments. Such data-driven optimization procedures are the only practical methods in many real-world domains where active data collection is expensive (e.g., when optimizing over proteins) or dangerous (e.g., when optimizing over aircraft designs). Typical methods for MBO that optimize the design against a learned model suffer from distributional shift: it is easy to find a design that "fools" the model into predicting a high value. To overcome this, we propose conservative objective models (COMs), a method that learns a model of the objective function that lower bounds the actual value of the ground-truth objective on out-of-distribution inputs, and uses it for optimization. Structurally, COMs resemble adversarial training methods used to overcome adversarial examples. COMs are simple to implement and outperform a number of existing methods on a wide range of MBO problems, including optimizing protein sequences, robot morphologies, neural network weights, and superconducting materials.

We propose a general and scalable approximate sampling strategy for probabilistic models with discrete variables. Our approach uses gradients of the likelihood function with respect to its discrete inputs to propose updates in a Metropolis-Hastings sampler. We show empirically that this approach outperforms generic samplers in a number of difficult settings including Ising models, Potts models, restricted Boltzmann machines, and factorial hidden Markov models. We also demonstrate the use of our improved sampler for training deep energy-based models on high dimensional discrete data. This approach outperforms variational auto-encoders and existing energy-based models. Finally, we give bounds showing that our approach is near-optimal in the class of samplers which propose local updates.

We study the impact of neural networks in text classification. Our focus is on training deep neural networks with proper weight initialization and greedy layer-wise pretraining. Results are compared with 1-layer neural networks and Support Vector Machines. We work with a dataset of labeled messages from the Twitter microblogging service and aim to predict weather conditions. A feature extraction procedure specific for the task is proposed, which applies dimensionality reduction using Latent Semantic Analysis. Our results show that neural networks outperform Support Vector Machines with Gaussian kernels, noticing performance gains from introducing additional hidden layers with nonlinearities. The impact of using Nesterov's Accelerated Gradient in backpropagation is also studied. We conclude that deep neural networks are a reasonable approach for text classification and propose further ideas to improve performance.

We consider the exploration-exploitation trade-off in reinforcement learning and we show that an agent imbued with a risk-seeking utility function is able to explore efficiently, as measured by regret. The parameter that controls how risk-seeking the agent is can be optimized exactly, or annealed according to a schedule. We call the resulting algorithm K-learning and show that the corresponding K-values are optimistic for the expected Q-values at each state-action pair. The K-values induce a natural Boltzmann exploration policy for which the `temperature' parameter is equal to the risk-seeking parameter. This policy achieves an expected regret bound of $\tilde O(L^{3/2} \sqrt{S A T})$, where $L$ is the time horizon, $S$ is the number of states, $A$ is the number of actions, and $T$ is the total number of elapsed time-steps. This bound is only a factor of $L$ larger than the established lower bound. K-learning can be interpreted as mirror descent in the policy space, and it is similar to other well-known methods in the literature, including Q-learning, soft-Q-learning, and maximum entropy policy gradient, and is closely related to optimism and count based exploration methods. K-learning is simple to implement, as it only requires adding a bonus to the reward at each state-action and then solving a Bellman equation. We conclude with a numerical example demonstrating that K-learning is competitive with other state-of-the-art algorithms in practice.

Deep reinforcement learning has recently shown many impressive successes. However, one major obstacle towards applying such methods to real-world problems is their lack of data-efficiency. To this end, we propose the Bottleneck Simulator: a model-based reinforcement learning method which combines a learned, factorized transition model of the environment with rollout simulations to learn an effective policy from few examples. The learned transition model employs an abstract, discrete (bottleneck) state, which increases sample efficiency by reducing the number of model parameters and by exploiting structural properties of the environment. We provide a mathematical analysis of the Bottleneck Simulator in terms of fixed points of the learned policy, which reveals how performance is affected by four distinct sources of error: an error related to the abstract space structure, an error related to the transition model estimation variance, an error related to the transition model estimation bias, and an error related to the transition model class bias. Finally, we evaluate the Bottleneck Simulator on two natural language processing tasks: a text adventure game and a real-world, complex dialogue response selection task. On both tasks, the Bottleneck Simulator yields excellent performance beating competing approaches.

Accurately classifying malignancy of lesions detected in a screening scan plays a critical role in reducing false positives. Through extracting and analyzing a large numbers of quantitative image features, radiomics holds great potential to differentiate the malignant tumors from benign ones. Since not all radiomic features contribute to an effective classifying model, selecting an optimal feature subset is critical. This work proposes a new multi-objective based feature selection (MO-FS) algorithm that considers both sensitivity and specificity simultaneously as the objective functions during the feature selection. In MO-FS, we developed a modified entropy based termination criterion (METC) to stop the algorithm automatically rather than relying on a preset number of generations. We also designed a solution selection methodology for multi-objective learning using the evidential reasoning approach (SMOLER) to automatically select the optimal solution from the Pareto-optimal set. Furthermore, an adaptive mutation operation was developed to generate the mutation probability in MO-FS automatically. The MO-FS was evaluated for classifying lung nodule malignancy in low-dose CT and breast lesion malignancy in digital breast tomosynthesis. Compared with other commonly used feature selection methods, the experimental results for both lung nodule and breast lesion malignancy classification demonstrated that the feature set by selected MO-FS achieved better classification performance.

We propose a new method of estimation in topic models, that is not a variation on the existing simplex finding algorithms, and that estimates the number of topics K from the observed data. We derive new finite sample minimax lower bounds for the estimation of A, as well as new upper bounds for our proposed estimator. We describe the scenarios where our estimator is minimax adaptive. Our finite sample analysis is valid for any number of documents (n), individual document length (N_i), dictionary size (p) and number of topics (K), and both p and K are allowed to increase with n, a situation not handled well by previous analyses. We complement our theoretical results with a detailed simulation study. We illustrate that the new algorithm is faster and more accurate than the current ones, although we start out with a computational and theoretical disadvantage of not knowing the correct number of topics K, while we provide the competing methods with the correct value in our simulations.

Existing methods for interactive image retrieval have demonstrated the merit of integrating user feedback, improving retrieval results. However, most current systems rely on restricted forms of user feedback, such as binary relevance responses, or feedback based on a fixed set of relative attributes, which limits their impact. In this paper, we introduce a new approach to interactive image search that enables users to provide feedback via natural language, allowing for more natural and effective interaction. We formulate the task of dialog-based interactive image retrieval as a reinforcement learning problem, and reward the dialog system for improving the rank of the target image during each dialog turn. To avoid the cumbersome and costly process of collecting human-machine conversations as the dialog system learns, we train our system with a user simulator, which is itself trained to describe the differences between target and candidate images. The efficacy of our approach is demonstrated in a footwear retrieval application. Extensive experiments on both simulated and real-world data show that 1) our proposed learning framework achieves better accuracy than other supervised and reinforcement learning baselines and 2) user feedback based on natural language rather than pre-specified attributes leads to more effective retrieval results, and a more natural and expressive communication interface.

We study the problem of learning a latent variable model from a stream of data. Latent variable models are popular in practice because they can explain observed data in terms of unobserved concepts. These models have been traditionally studied in the offline setting. In the online setting, on the other hand, the online EM is arguably the most popular algorithm for learning latent variable models. Although the online EM is computationally efficient, it typically converges to a local optimum. In this work, we develop a new online learning algorithm for latent variable models, which we call SpectralLeader. SpectralLeader always converges to the global optimum, and we derive a sublinear upper bound on its $n$-step regret in the bag-of-words model. In both synthetic and real-world experiments, we show that SpectralLeader performs similarly to or better than the online EM with tuned hyper-parameters.

Deep reinforcement learning (RL) methods generally engage in exploratory behavior through noise injection in the action space. An alternative is to add noise directly to the agent's parameters, which can lead to more consistent exploration and a richer set of behaviors. Methods such as evolutionary strategies use parameter perturbations, but discard all temporal structure in the process and require significantly more samples. Combining parameter noise with traditional RL methods allows to combine the best of both worlds. We demonstrate that both off- and on-policy methods benefit from this approach through experimental comparison of DQN, DDPG, and TRPO on high-dimensional discrete action environments as well as continuous control tasks. Our results show that RL with parameter noise learns more efficiently than traditional RL with action space noise and evolutionary strategies individually.