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Register a new userKL-based Control of the Learning Schedule for Surrogate Black-Box Optimization
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Loshchilov Ilya
Publication date
2013
fields
Informatics Engineering
and research's language is
English
Authors
Ilya Loshchilov
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This paper investigates the control of an ML component within the Covariance Matrix Adaptation Evolution Strategy (CMA-ES) devoted to black-box optimization. The known CMA-ES weakness is its sample complexity, the number of evaluations of the objective function needed to approximate the global optimum. This weakness is commonly addressed through surrogate optimization, learning an estimate of the objective function a.k.a. surrogate model, and replacing most evaluations of the true objective function with the (inexpensive) evaluation of the surrogate model. This paper presents a principled control of the learning schedule (when to relearn the surrogate model), based on the Kullback-Leibler divergence of the current search distribution and the training distribution of the former surrogate model. The experimental validation of the proposed approach shows significant performance gains on a comprehensive set of ill-conditioned benchmark problems, compared to the best state of the art including the quasi-Newton high-precision BFGS method.
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The use of black-box optimization for the design of new biological sequences is an emerging research area with potentially revolutionary impact. The cost and latency of wet-lab experiments requires methods that find good sequences in few experimental rounds of large batches of sequences--a setting that off-the-shelf black-box optimization methods are ill-equipped to handle. We find that the performance of existing methods varies drastically across optimization tasks, posing a significant obstacle to real-world applications. To improve robustness, we propose Population-Based Black-Box Optimization (P3BO), which generates batches of sequences by sampling from an ensemble of methods. The number of sequences sampled from any method is proportional to the quality of sequences it previously proposed, allowing P3BO to combine the strengths of individual methods while hedging against their innate brittleness. Adapting the hyper-parameters of each of the methods online using evolutionary optimization further improves performance. Through extensive experiments on in-silico optimization tasks, we show that P3BO outperforms any single method in its population, proposing higher quality sequences as well as more diverse batches. As such, P3BO and Adaptive-P3BO are a crucial step towards deploying ML to real-world sequence design.
We study continuous action reinforcement learning problems in which it is crucial that the agent interacts with the environment only through safe policies, i.e.,~policies that do not take the agent to undesirable situations. We formulate these problems as constrained Markov decision processes (CMDPs) and present safe policy optimization algorithms that are based on a Lyapunov approach to solve them. Our algorithms can use any standard policy gradient (PG) method, such as deep deterministic policy gradient (DDPG) or proximal policy optimization (PPO), to train a neural network policy, while guaranteeing near-constraint satisfaction for every policy update by projecting either the policy parameter or the action onto the set of feasible solutions induced by the state-dependent linearized Lyapunov constraints. Compared to the existing constrained PG algorithms, ours are more data efficient as they are able to utilize both on-policy and off-policy data. Moreover, our action-projection algorithm often leads to less conservative policy updates and allows for natural integration into an end-to-end PG training pipeline. We evaluate our algorithms and compare them with the state-of-the-art baselines on several simulated (MuJoCo) tasks, as well as a real-world indoor robot navigation problem, demonstrating their effectiveness in terms of balancing performance and constraint satisfaction. Videos of the experiments can be found in the following link: https://drive.google.com/file/d/1pzuzFqWIE710bE2U6DmS59AfRzqK2Kek/view?usp=sharing.
The learning rate (LR) schedule is one of the most important hyper-parameters needing careful tuning in training DNNs. However, it is also one of the least automated parts of machine learning systems and usually costs significant manual effort and computing. Though there are pre-defined LR schedules and optimizers with adaptive LR, they introduce new hyperparameters that need to be tuned separately for different tasks/datasets. In this paper, we consider the question: Can we automatically tune the LR over the course of training without human involvement? We propose an efficient method, AutoLRS, which automatically optimizes the LR for each training stage by modeling training dynamics. AutoLRS aims to find an LR applied to every $tau$ steps that minimizes the resulted validation loss. We solve this black-box optimization on the fly by Bayesian optimization (BO). However, collecting training instances for BO requires a system to evaluate each LR queried by BOs acquisition function for $tau$ steps, which is prohibitively expensive in practice. Instead, we apply each candidate LR for only $taulltau$ steps and train an exponential model to predict the validation loss after $tau$ steps. This mutual-training process between BO and the loss-prediction model allows us to limit the training steps invested in the BO search. We demonstrate the advantages and the generality of AutoLRS through extensive experiments of training DNNs for tasks from diverse domains using different optimizers. The LR schedules auto-generated by AutoLRS lead to a speedup of $1.22times$, $1.43times$, and $1.5times$ when training ResNet-50, Transformer, and BERT, respectively, compared to the LR schedules in their original papers, and an average speedup of $1.31times$ over state-of-the-art heavily-tuned LR schedules.
Black-box optimization (BBO) has a broad range of applications, including automatic machine learning, engineering, physics, and experimental design. However, it remains a challenge for users to apply BBO methods to their problems at hand with existing software packages, in terms of applicability, performance, and efficiency. In this paper, we build OpenBox, an open-source and general-purpose BBO service with improved usability. The modular design behind OpenBox also facilitates flexible abstraction and optimization of basic BBO components that are common in other existing systems. OpenBox is distributed, fault-tolerant, and scalable. To improve efficiency, OpenBox further utilizes algorithm agnostic parallelization and transfer learning. Our experimental results demonstrate the effectiveness and efficiency of OpenBox compared to existing systems.
The pipeline optimization problem in machine learning requires simultaneous optimization of pipeline structures and parameter adaptation of their elements. Having an elegant way to express these structures can help lessen the complexity in the management and analysis of their performances together with the different choices of optimization strategies. With these issues in mind, we created the AutoMLPipeline (AMLP) toolkit which facilitates the creation and evaluation of complex machine learning pipeline structures using simple expressions. We use AMLP to find optimal pipeline signatures, datamine them, and use these datamined features to speed-up learning and prediction. We formulated a two-stage pipeline optimization with surrogate modeling in AMLP which outperforms other AutoML approaches with a 4-hour time budget in less than 5 minutes of AMLP computation time.
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