Autonomous materials research labs require the ability to combine and learn from diverse data streams. This is especially true for learning material synthesis-process-structure-property relationships, key to accelerating materials optimization and discovery as well as accelerating mechanistic understanding. We present the Synthesis-process-structure-property relAtionship coreGionalized lEarner (SAGE) algorithm. A fully Bayesian algorithm that uses multimodal coregionalization to merge knowledge across data sources to learn synthesis-process-structure-property relationships. SAGE outputs a probabilistic posterior for the relationships including the most likely relationships given the data.

We consider a human-assisted autonomy sensor fusion for dynamic target localization in a Bayesian framework. To compensate for the shortcomings of an autonomous tracking system, we propose to collect spatial sensing information from human operators who visually monitor the target and can provide target localization information in the form of free sketches encircling the area where the target is located. Our focus in this paper is to construct an adaptive probabilistic model for human-provided inputs where the adaption terms capture the level of reliability of the human inputs. The next contribution of this paper is a novel joint Bayesian learning method to fuse human and autonomous sensor inputs in a manner that the dynamic changes in human detection reliability are also captured and accounted for. A unique aspect of this Bayesian modeling framework is its analytical closed-form update equations, endowing our method with significant computational efficiency. Simulations demonstrate our results.

Reinforcement learning is an essential paradigm for solving sequential decision problems under uncertainty. Despite many remarkable achievements in recent decades, applying reinforcement learning methods in the real world remains challenging. One of the main obstacles is that reinforcement learning agents lack a fundamental understanding of the world and must therefore learn from scratch through numerous trial-and-error interactions. They may also face challenges in providing explanations for their decisions and generalizing the acquired knowledge. Causality, however, offers a notable advantage as it can formalize knowledge in a systematic manner and leverage invariance for effective knowledge transfer. This has led to the emergence of causal reinforcement learning, a subfield of reinforcement learning that seeks to enhance existing algorithms by incorporating causal relationships into the learning process. In this survey, we comprehensively review the literature on causal reinforcement learning. We first introduce the basic concepts of causality and reinforcement learning, and then explain how causality can address core challenges in non-causal reinforcement learning. We categorize and systematically review existing causal reinforcement learning approaches based on their target problems and methodologies. Finally, we outline open issues and future directions in this emerging field.

This paper addresses the problem of enabling a robot to search for a semantic object, i.e., an object with a semantic label, in an unknown and GPS-denied environment. For the robot in the unknown environment to detect and find the target semantic object, it must perform simultaneous localization and mapping (SLAM) at both geometric and semantic levels using its onboard sensors while planning and executing its motion based on the ever-updated SLAM results. In other words, the robot must be able to conduct simultaneous localization, semantic mapping, motion planning, and execution in real-time in the presence of sensing and motion uncertainty. This is an open problem as it combines semantic SLAM based on perception and real-time motion planning and execution under uncertainty. Moreover, the goals of the robot motion change on the fly depending on whether and how the robot can detect the target object. We propose a novel approach to tackle the problem, leveraging semantic SLAM, Bayesian Networks, Markov Decision Process, and Real-Time Dynamic Programming. The results in simulation and real experiments demonstrate the effectiveness and efficiency of our approach.

In real-world reinforcement learning problems, the state information is often only partially observable, which breaks the basic assumption in Markov decision processes, and thus, leads to inferior performances. Partially Observable Markov Decision Processes have been introduced to explicitly take the issue into account for learning, exploration, and planning, but presenting significant computational and statistical challenges. To address these difficulties, we exploit the representation view, which leads to a coherent design framework for a practically tractable reinforcement learning algorithm upon partial observations. We provide a theoretical analysis for justifying the statistical efficiency of the proposed algorithm. We also empirically demonstrate the proposed algorithm can surpass state-of-the-art performance with partial observations across various benchmarks, therefore, pushing reliable reinforcement learning towards more practical applications.

Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates. In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment. Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions.

Uncertainty quantification (UQ) in scientific machine learning (SciML) becomes increasingly critical as neural networks (NNs) are being widely adopted in addressing complex problems across various scientific disciplines. Representative SciML models are physics-informed neural networks (PINNs) and neural operators (NOs). While UQ in SciML has been increasingly investigated in recent years, very few works have focused on addressing the uncertainty caused by the noisy inputs, such as spatial-temporal coordinates in PINNs and input functions in NOs. The presence of noise in the inputs of the models can pose significantly more challenges compared to noise in the outputs of the models, primarily due to the inherent nonlinearity of most SciML algorithms. As a result, UQ for noisy inputs becomes a crucial factor for reliable and trustworthy deployment of these models in applications involving physical knowledge. To this end, we introduce a Bayesian approach to quantify uncertainty arising from noisy inputs-outputs in PINNs and NOs. We show that this approach can be seamlessly integrated into PINNs and NOs, when they are employed to encode the physical information. PINNs incorporate physics by including physics-informed terms via automatic differentiation, either in the loss function or the likelihood, and often take as input the spatial-temporal coordinate. Therefore, the present method equips PINNs with the capability to address problems where the observed coordinate is subject to noise. On the other hand, pretrained NOs are also commonly employed as equation-free surrogates in solving differential equations and Bayesian inverse problems, in which they take functions as inputs. The proposed approach enables them to handle noisy measurements for both input and output functions with UQ.

An intelligent decision-making system enabled by Vehicle-to-Everything (V2X) communications is essential to achieve safe and efficient autonomous driving (AD), where two types of decisions have to be made at different timescales, i.e., vehicle control and radio resource allocation (RRA) decisions. The interplay between RRA and vehicle control necessitates their collaborative design. In this two-part paper (Part I and Part II), taking platoon control (PC) as an example use case, we propose a joint optimization framework of multi-timescale control and communications (MTCC) based on Deep Reinforcement Learning (DRL). In this paper (Part I), we first decompose the problem into a communication-aware DRL-based PC sub-problem and a control-aware DRL-based RRA sub-problem. Then, we focus on the PC sub-problem assuming an RRA policy is given, and propose the MTCC-PC algorithm to learn an efficient PC policy. To improve the PC performance under random observation delay, the PC state space is augmented with the observation delay and PC action history. Moreover, the reward function with respect to the augmented state is defined to construct an augmented state Markov Decision Process (MDP). It is proved that the optimal policy for the augmented state MDP is optimal for the original PC problem with observation delay. Different from most existing works on communication-aware control, the MTCC-PC algorithm is trained in a delayed environment generated by the fine-grained embedded simulation of C-V2X communications rather than by a simple stochastic delay model. Finally, experiments are performed to compare the performance of MTCC-PC with those of the baseline DRL algorithms.

Controlling and coordinating urban traffic flow through robot vehicles is emerging as a novel transportation paradigm for the future. While this approach garners growing attention from researchers and practitioners, effectively managing and coordinating large-scale mixed traffic remains a challenge. We introduce an effective framework for large-scale mixed traffic control via privacy-preserving crowdsourcing and dynamic vehicle routing. Our framework consists of three modules: a privacy-protecting crowdsensing method, a graph propagation-based traffic forecasting method, and a privacy-preserving route selection mechanism. We evaluate our framework using a real-world road network. The results show that our framework accurately forecasts traffic flow, efficiently mitigates network-wide RV shortage issue, and coordinates large-scale mixed traffic. Compared to other baseline methods, our framework not only reduces the RV shortage issue up to 69.4% but also reduces the average waiting time of all vehicles in the network up to 27%.

In Part I of this two-part paper (Multi-Timescale Control and Communications with Deep Reinforcement Learning -- Part I: Communication-Aware Vehicle Control), we decomposed the multi-timescale control and communications (MTCC) problem in Cellular Vehicle-to-Everything (C-V2X) system into a communication-aware Deep Reinforcement Learning (DRL)-based platoon control (PC) sub-problem and a control-aware DRL-based radio resource allocation (RRA) sub-problem. We focused on the PC sub-problem and proposed the MTCC-PC algorithm to learn an optimal PC policy given an RRA policy. In this paper (Part II), we first focus on the RRA sub-problem in MTCC assuming a PC policy is given, and propose the MTCC-RRA algorithm to learn the RRA policy. Specifically, we incorporate the PC advantage function in the RRA reward function, which quantifies the amount of PC performance degradation caused by observation delay. Moreover, we augment the state space of RRA with PC action history for a more well-informed RRA policy. In addition, we utilize reward shaping and reward backpropagation prioritized experience replay (RBPER) techniques to efficiently tackle the multi-agent and sparse reward problems, respectively. Finally, a sample- and computational-efficient training approach is proposed to jointly learn the PC and RRA policies in an iterative process. In order to verify the effectiveness of the proposed MTCC algorithm, we performed experiments using real driving data for the leading vehicle, where the performance of MTCC is compared with those of the baseline DRL algorithms.