Model-based reinforcement learning (RL) has shown great promise due to its sample efficiency, but still struggles with long-horizon sparse-reward tasks, especially in offline settings where the agent learns from a fixed dataset. We hypothesize that model-based RL agents struggle in these environments due to a lack of long-term planning capabilities, and that planning in a temporally abstract model of the environment can alleviate this issue. In this paper, we make two key contributions: 1) we introduce an offline model-based RL algorithm, IQL-TD-MPC, that extends the state-of-the-art Temporal Difference Learning for Model Predictive Control (TD-MPC) with Implicit Q-Learning (IQL); 2) we propose to use IQL-TD-MPC as a Manager in a hierarchical setting with any off-the-shelf offline RL algorithm as a Worker. More specifically, we pre-train a temporally abstract IQL-TD-MPC Manager to predict "intent embeddings", which roughly correspond to subgoals, via planning. We empirically show that augmenting state representations with intent embeddings generated by an IQL-TD-MPC manager significantly improves off-the-shelf offline RL agents' performance on some of the most challenging D4RL benchmark tasks. For instance, the offline RL algorithms AWAC, TD3-BC, DT, and CQL all get zero or near-zero normalized evaluation scores on the medium and large antmaze tasks, while our modification gives an average score over 40.

Machine learning-based design has gained traction in the sciences, most notably in the design of small molecules, materials, and proteins, with societal implications spanning drug development and manufacturing, plastic degradation, and carbon sequestration. When designing objects to achieve novel property values with machine learning, one faces a fundamental challenge: how to push past the frontier of current knowledge, distilled from the training data into the model, in a manner that rationally controls the risk of failure. If one trusts learned models too much in extrapolation, one is likely to design rubbish. In contrast, if one does not extrapolate, one cannot find novelty. Herein, we ponder how one might strike a useful balance between these two extremes. We focus in particular on designing proteins with novel property values, although much of our discussion addresses machine learning-based design more broadly.

Complex Named Entity Recognition (NER) is the task of detecting linguistically complex named entities in low-context text. In this paper, we present ACLM Attention-map aware keyword selection for Conditional Language Model fine-tuning), a novel data augmentation approach based on conditional generation to address the data scarcity problem in low-resource complex NER. ACLM alleviates the context-entity mismatch issue, a problem existing NER data augmentation techniques suffer from and often generates incoherent augmentations by placing complex named entities in the wrong context. ACLM builds on BART and is optimized on a novel text reconstruction or denoising task - we use selective masking (aided by attention maps) to retain the named entities and certain keywords in the input sentence that provide contextually relevant additional knowledge or hints about the named entities. Compared with other data augmentation strategies, ACLM can generate more diverse and coherent augmentations preserving the true word sense of complex entities in the sentence. We demonstrate the effectiveness of ACLM both qualitatively and quantitatively on monolingual, cross-lingual, and multilingual complex NER across various low-resource settings. ACLM outperforms all our neural baselines by a significant margin (1%-36%). In addition, we demonstrate the application of ACLM to other domains that suffer from data scarcity (e.g., biomedical). In practice, ACLM generates more effective and factual augmentations for these domains than prior methods. Code: https://github.com/Sreyan88/ACLM

This paper designs surrogate models with uncertainty quantification capabilities to improve the thermal performance of rib-turbulated internal cooling channels effectively. To construct the surrogate, we use the deep operator network (DeepONet) framework, a novel class of neural networks designed to approximate mappings between infinite-dimensional spaces using relatively small datasets. The proposed DeepONet takes an arbitrary continuous rib geometry with control points as input and outputs continuous detailed information about the distribution of pressure and heat transfer around the profiled ribs. The datasets needed to train and test the proposed DeepONet framework were obtained by simulating a 2D rib-roughened internal cooling channel. To accomplish this, we continuously modified the input rib geometry by adjusting the control points according to a simple random distribution with constraints, rather than following a predefined path or sampling method. The studied channel has a hydraulic diameter, Dh, of 66.7 mm, and a length-to-hydraulic diameter ratio, L/Dh, of 10. The ratio of rib center height to hydraulic diameter (e/Dh), which was not changed during the rib profile update, was maintained at a constant value of 0.048. The ribs were placed in the channel with a pitch-to-height ratio (P/e) of 10. In addition, we provide the proposed surrogates with effective uncertainty quantification capabilities. This is achieved by converting the DeepONet framework into a Bayesian DeepONet (B-DeepONet). B-DeepONet samples from the posterior distribution of DeepONet parameters using the novel framework of stochastic gradient replica-exchange MCMC.

Projection-based reduced order models (PROMs) have shown promise in representing the behavior of multiscale systems using a small set of generalized (or latent) variables. Despite their success, PROMs can be susceptible to inaccuracies, even instabilities, due to the improper accounting of the interaction between the resolved and unresolved scales of the multiscale system (known as the closure problem). In the current work, we interpret closure as a multifidelity problem and use a multifidelity deep operator network (DeepONet) framework to address it. In addition, to enhance the stability and accuracy of the multifidelity-based closure, we employ the recently developed "in-the-loop" training approach from the literature on coupling physics and machine learning models. The resulting approach is tested on shock advection for the one-dimensional viscous Burgers equation and vortex merging using the two-dimensional Navier-Stokes equations. The numerical experiments show significant improvement of the predictive ability of the closure-corrected PROM over the un-corrected one both in the interpolative and the extrapolative regimes.

Given a (machine learning) classifier and a collection of unlabeled data, how can we efficiently identify misclassification patterns presented in this dataset? To address this problem, we propose a human-machine collaborative framework that consists of a team of human annotators and a sequential recommendation algorithm. The recommendation algorithm is conceptualized as a stochastic sampler that, in each round, queries the annotators a subset of samples for their true labels and obtains the feedback information on whether the samples are misclassified. The sampling mechanism needs to balance between discovering new patterns of misclassification (exploration) and confirming the potential patterns of classification (exploitation). We construct a determinantal point process, whose intensity balances the exploration-exploitation trade-off through the weighted update of the posterior at each round to form the generator of the stochastic sampler. The numerical results empirically demonstrate the competitive performance of our framework on multiple datasets at various signal-to-noise ratios.

Energy storage resources must consider both price uncertainties and their physical operating characteristics when participating in wholesale electricity markets. This is a challenging problem as electricity prices are highly volatile, and energy storage has efficiency losses, power, and energy constraints. This paper presents a novel, versatile, and transferable approach combining model-based optimization with a convolutional long short-term memory network for energy storage to respond to or bid into wholesale electricity markets. We test our proposed approach using historical prices from New York State, showing it achieves state-of-the-art results, achieving between 70% to near 90% profit ratio compared to perfect foresight cases, in both price response and wholesale market bidding setting with various energy storage durations. We also test a transfer learning approach by pre-training the bidding model using New York data and applying it to arbitrage in Queensland, Australia. The result shows transfer learning achieves exceptional arbitrage profitability with as little as three days of local training data, demonstrating its significant advantage over training from scratch in scenarios with very limited data availability.

Hamiltonian Monte Carlo (HMC) is a powerful algorithm to sample latent variables from Bayesian models. The advent of probabilistic programming languages (PPLs) frees users from writing inference algorithms and lets users focus on modeling. However, many models are difficult for HMC to solve directly, and often require tricks like model reparameterization. We are motivated by the fact that many of those models could be simplified by marginalization. We propose to use automatic marginalization as part of the sampling process using HMC in a graphical model extracted from a PPL, which substantially improves sampling from real-world hierarchical models.

Vine robots are a class of soft continuum robots that grow via tip eversion, allowing them to move their tip without relying on reaction forces from the environment. Constructed from compliant materials such as fabric and thin, flexible plastic, these robots are able to grow many times their original length with the use of fluidic pressure. They can be mechanically programmed/preformed to follow a desired path during growth by changing the structure of their body prior to deployment. We present a model for fabricating preformed vine robots with discrete bends. We apply this model across combinations of three fabrication methods and two materials. One fabrication method, taping folds into the robot body, is from the literature. The other two methods, welding folds and connecting fasteners embedded in the robot body, are novel. Measurements show the ability of the resulting vine robots to follow a desired path and show that fabrication method has a significant impact. Results include bend angles with as little as 0.12 degrees of error, and segment lengths with as low as 0.36 mm of error. The required growth pressure and average growth speed of these preformed vine robots ranged from 11.5 to 23.7kPA and 3.75 to 10 cm/s, respectively. These results validate the use of preformed vine robots for deployment along known paths, and serve as a guide for choosing a fabrication method and material combination based on the specific needs of the task.

Mobile and edge computing devices for always-on classification tasks require energy-efficient neural network architectures. In this paper we present several changes to neural architecture searches (NAS) that improve the chance of success in practical situations. Our search simultaneously optimizes for network accuracy, energy efficiency and memory usage. We benchmark the performance of our search on real hardware, but since running thousands of tests with real hardware is difficult we use a random forest model to roughly predict the energy usage of a candidate network. We present a search strategy that uses both Bayesian and regularized evolutionary search with particle swarms, and employs early-stopping to reduce the computational burden. Our search, evaluated on a sound-event classification dataset based upon AudioSet, results in an order of magnitude less energy per inference and a much smaller memory footprint than our baseline MobileNetV1/V2 implementations while slightly improving task accuracy. We also demonstrate how combining a 2D spectrogram with a convolution with many filters causes a computational bottleneck for audio classification and that alternative approaches reduce the computational burden but sacrifice task accuracy.