Adaptive Informative Path Planning with Multimodal Sensing

Adaptive Informative Path Planning (AIPP) problems model an agent tasked with obtaining information subject to resource constraints in unknown, partially observable environments. Existing work on AIPP has focused on representing observations about the world as a result of agent movement. We formulate the more general setting where the agent may choose between different sensors at the cost of some energy, in addition to traversing the environment to gather information. We call this problem AIPPMS (MS for Multimodal Sensing). AIPPMS requires reasoning jointly about the effects of sensing and movement in terms of both energy expended and information gained. We frame AIPPMS as a Partially Observable Markov Decision Process (POMDP) and solve it with online planning. Our approach is based on the Partially Observable Monte Carlo Planning framework with modifications to ensure constraint feasibility and a heuristic rollout policy tailored for AIPPMS. We evaluate our method on two domains: a simulated search-and-rescue scenario and a challenging extension to the classic RockSample problem. We find that our approach outperforms a classic AIPP algorithm that is modified for AIPPMS, as well as online planning using a random rollout policy.Comment: First two authors contributed equally; International Conference on Automated Planning and Scheduling (ICAPS) 202

Accelerating Bayesian Optimization for Biological Sequence Design with Denoising Autoencoders

Bayesian optimization (BayesOpt) is a gold standard for query-efficient continuous optimization. However, its adoption for drug design has been hindered by the discrete, high-dimensional nature of the decision variables. We develop a new approach (LaMBO) which jointly trains a denoising autoencoder with a discriminative multi-task Gaussian process head, allowing gradient-based optimization of multi-objective acquisition functions in the latent space of the autoencoder. These acquisition functions allow LaMBO to balance the explore-exploit tradeoff over multiple design rounds, and to balance objective tradeoffs by optimizing sequences at many different points on the Pareto frontier. We evaluate LaMBO on two small-molecule design tasks, and introduce new tasks optimizing \emph{in silico} and \emph{in vitro} properties of large-molecule fluorescent proteins. In our experiments LaMBO outperforms genetic optimizers and does not require a large pretraining corpus, demonstrating that BayesOpt is practical and effective for biological sequence design.Comment: ICML 2022. Code available at https://github.com/samuelstanton/lamb