This paper provides a simulated laboratory for making use of Reinforcement Learning (RL) for chemical discovery. Since RL is fairly data intensive, training agents `on-the-fly' by taking actions in the real world is infeasible and possibly dangerous. Moreover, chemical processing and discovery involves challenges which are not commonly found in RL benchmarks and therefore offer a rich space to work in. We introduce a set of highly customizable and open-source RL environments, ChemGymRL, based on the standard Open AI Gym template. ChemGymRL supports a series of interconnected virtual chemical benches where RL agents can operate and train. The paper introduces and details each of these benches using well-known chemical reactions as illustrative examples, and trains a set of standard RL algorithms in each of these benches. Finally, discussion and comparison of the performances of several standard RL methods are provided in addition to a list of directions for future work as a vision for the further development and usage of ChemGymRL.

We study the problem of Inverse Reinforcement Learning (IRL) with an average-reward criterion. The goal is to recover an unknown policy and a reward function when the agent only has samples of states and actions from an experienced agent. Previous IRL methods assume that the expert is trained in a discounted environment, and the discount factor is known. This work alleviates this assumption by proposing an average-reward framework with efficient learning algorithms. We develop novel stochastic first-order methods to solve the IRL problem under the average-reward setting, which requires solving an Average-reward Markov Decision Process (AMDP) as a subproblem. To solve the subproblem, we develop a Stochastic Policy Mirror Descent (SPMD) method under general state and action spaces that needs $\mathcal{{O}}(1/\varepsilon)$ steps of gradient computation. Equipped with SPMD, we propose the Inverse Policy Mirror Descent (IPMD) method for solving the IRL problem with a $\mathcal{O}(1/\varepsilon^2)$ complexity. To the best of our knowledge, the aforementioned complexity results are new in IRL. Finally, we corroborate our analysis with numerical experiments using the MuJoCo benchmark and additional control tasks.

In recent years, large language models (LMs) have achieved remarkable progress across various natural language processing tasks. As pre-training and fine-tuning are costly and might negatively impact model performance, it is desired to efficiently adapt an existing model to different conditions such as styles, sentiments or narratives, when facing different audiences or scenarios. However, efficient adaptation of a language model to diverse conditions remains an open challenge. This work is inspired by the observation that text conditions are often associated with selection of certain words in a context. Therefore we introduce LM-Switch, a theoretically grounded, lightweight and simple method for generative language model conditioning. We begin by investigating the effect of conditions in Hidden Markov Models (HMMs), and establish a theoretical connection with language model. Our finding suggests that condition shifts in HMMs are associated with linear transformations in word embeddings. LM-Switch is then designed to deploy a learnable linear factor in the word embedding space for language model conditioning. We show that LM-Switch can model diverse tasks, and achieves comparable or better performance compared with state-of-the-art baselines in LM detoxification and generation control, despite requiring no more than 1% of parameters compared with baselines and little extra time overhead compared with base LMs. It is also able to learn from as few as a few sentences or one document. Moreover, a learned LM-Switch can be transferred to other LMs of different sizes, achieving a detoxification performance similar to the best baseline. We will make our code available to the research community following publication.

We present an approach for autonomous sensor control for information gathering under partially observable, dynamic and sparsely sampled environments that maximizes information about entities present in that space. We describe our approach for the task of Radio-Frequency (RF) spectrum monitoring, where the goal is to search for and track unknown, dynamic signals in the environment. To this end, we extend the Deep Anticipatory Network (DAN) Reinforcement Learning (RL) framework by (1) improving exploration in sparse, non-stationary environments using a novel information gain reward, and (2) scaling up the control space and enabling the monitoring of complex, dynamic activity patterns using hybrid convolutional-recurrent neural layers. We also extend this problem to situations in which sampling from the intended RF spectrum/field is limited and propose a model-based version of the original RL algorithm that fine-tunes the controller via a model that is iteratively improved from the limited field sampling. Results in simulated RF environments of differing complexity show that our system outperforms the standard DAN architecture and is more flexible and robust than baseline expert-designed agents. We also show that it is adaptable to non-stationary emission environments.

Conformal prediction is a widely used method to quantify the uncertainty of a classifier under the assumption of exchangeability (e.g., IID data). We generalize conformal prediction to the Hidden Markov Model (HMM) framework where the assumption of exchangeability is not valid. The key idea of the proposed method is to partition the non-exchangeable Markovian data from the HMM into exchangeable blocks by exploiting the de Finetti's Theorem for Markov Chains discovered by Diaconis and Freedman (1980). The permutations of the exchangeable blocks are viewed as randomizations of the observed Markovian data from the HMM. The proposed method provably retains all desirable theoretical guarantees offered by the classical conformal prediction framework in both exchangeable and Markovian settings. In particular, while the lack of exchangeability introduced by Markovian samples constitutes a violation of a crucial assumption for classical conformal prediction, the proposed method views it as an advantage that can be exploited to improve the performance further. Detailed numerical and empirical results that complement the theoretical conclusions are provided to illustrate the practical feasibility of the proposed method.

In recent years, smart meters have been widely adopted by electricity suppliers to improve the management of the smart grid system. These meters usually collect energy consumption data at a very low frequency (every 30min), enabling utilities to bill customers more accurately. To provide more personalized recommendations, the next step is to detect the appliances owned by customers, which is a challenging problem, due to the very-low meter reading frequency. Even though the appliance detection problem can be cast as a time series classification problem, with many such classifiers having been proposed in the literature, no study has applied and compared them on this specific problem. This paper presents an in-depth evaluation and comparison of state-of-the-art time series classifiers applied to detecting the presence/absence of diverse appliances in very low-frequency smart meter data. We report results with five real datasets. We first study the impact of the detection quality of 13 different appliances using 30min sampled data, and we subsequently propose an analysis of the possible detection performance gain by using a higher meter reading frequency. The results indicate that the performance of current time series classifiers varies significantly. Some of them, namely deep learning-based classifiers, provide promising results in terms of accuracy (especially for certain appliances), even using 30min sampled data, and are scalable to the large smart meter time series collections of energy consumption data currently available to electricity suppliers. Nevertheless, our study shows that more work is needed in this area to further improve the accuracy of the proposed solutions. This paper appeared in ACM e-Energy 2023.

The success of many healthcare programs depends on participants' adherence. We consider the problem of scheduling interventions in low resource settings (e.g., placing timely support calls from health workers) to increase adherence and/or engagement. Past works have successfully developed several classes of Restless Multi-armed Bandit (RMAB) based solutions for this problem. Nevertheless, all past RMAB approaches assume that the participants' behaviour follows the Markov property. We demonstrate significant deviations from the Markov assumption on real-world data on a maternal health awareness program from our partner NGO, ARMMAN. Moreover, we extend RMABs to continuous state spaces, a previously understudied area. To tackle the generalised non-Markovian RMAB setting we (i) model each participant's trajectory as a time-series, (ii) leverage the power of time-series forecasting models to learn complex patterns and dynamics to predict future states, and (iii) propose the Time-series Arm Ranking Index (TARI) policy, a novel algorithm that selects the RMAB arms that will benefit the most from an intervention, given our future state predictions. We evaluate our approach on both synthetic data, and a secondary analysis on real data from ARMMAN, and demonstrate significant increase in engagement compared to the SOTA, deployed Whittle index solution. This translates to 16.3 hours of additional content listened, 90.8% more engagement drops prevented, and reaching more than twice as many high dropout-risk beneficiaries.

We study variance-dependent regret bounds for Markov decision processes (MDPs). Algorithms with variance-dependent regret guarantees can automatically exploit environments with low variance (e.g., enjoying constant regret on deterministic MDPs). The existing algorithms are either variance-independent or suboptimal. We first propose two new environment norms to characterize the fine-grained variance properties of the environment. For model-based methods, we design a variant of the MVP algorithm (Zhang et al., 2021a). We apply new analysis techniques to demonstrate that this algorithm enjoys variance-dependent bounds with respect to the norms we propose. In particular, this bound is simultaneously minimax optimal for both stochastic and deterministic MDPs, the first result of its kind. We further initiate the study on model-free algorithms with variance-dependent regret bounds by designing a reference-function-based algorithm with a novel capped-doubling reference update schedule. Lastly, we also provide lower bounds to complement our upper bounds.

We study regret minimization for reinforcement learning (RL) in Latent Markov Decision Processes (LMDPs) with context in hindsight. We design a novel model-based algorithmic framework which can be instantiated with both a model-optimistic and a value-optimistic solver. We prove an $\tilde{O}(\sqrt{\mathsf{Var}^\star M \Gamma S A K})$ regret bound where $\tilde{O}$ hides logarithm factors, $M$ is the number of contexts, $S$ is the number of states, $A$ is the number of actions, $K$ is the number of episodes, $\Gamma \le S$ is the maximum transition degree of any state-action pair, and $\mathsf{Var}^\star$ is a variance quantity describing the determinism of the LMDP. The regret bound only scales logarithmically with the planning horizon, thus yielding the first (nearly) horizon-free regret bound for LMDP. This is also the first problem-dependent regret bound for LMDP. Key in our proof is an analysis of the total variance of alpha vectors (a generalization of value functions), which is handled with a truncation method. We complement our positive result with a novel $\Omega(\sqrt{\mathsf{Var}^\star M S A K})$ regret lower bound with $\Gamma = 2$, which shows our upper bound minimax optimal when $\Gamma$ is a constant for the class of variance-bounded LMDPs. Our lower bound relies on new constructions of hard instances and an argument inspired by the symmetrization technique from theoretical computer science, both of which are technically different from existing lower bound proof for MDPs, and thus can be of independent interest.

In this paper, we propose and consider the problem of cooperative language acquisition as a particular form of the ad hoc team play problem. We then present a probabilistic model for inferring a speaker's intentions and a listener's semantics from observing communications between a team of language-users. This model builds on the assumptions that speakers are engaged in positive signalling and listeners are exhibiting positive listening, which is to say the messages convey hidden information from the listener, that then causes them to change their behaviour. Further, it accounts for potential sub-optimality in the speaker's ability to convey the right information (according to the given task). Finally, we discuss further work for testing and developing this framework.