The CO2 capture efficiency in solvent-based carbon capture systems (CCSs) critically depends on the gas-solvent interfacial area (IA), making maximization of IA a foundational challenge in CCS design. While the IA associated with a particular CCS design can be estimated via a computational fluid dynamics (CFD) simulation, using CFD to derive the IAs associated with numerous CCS designs is prohibitively costly. Fortunately, previous works such as Deep Fluids (DF) (Kim et al., 2019) show that large simulation speedups are achievable by replacing CFD simulators with neural network (NN) surrogates that faithfully mimic the CFD simulation process. This raises the possibility of a fast, accurate replacement for a CFD simulator and therefore efficient approximation of the IAs required by CCS design optimization. Thus, here, we build on the DF approach to develop surrogates that can successfully be applied to our complex carbon-capture CFD simulations. Our optimized DF-style surrogates produce large speedups (4000x) while obtaining IA relative errors as low as 4% on unseen CCS configurations that lie within the range of training configurations. This hints at the promise of NN surrogates for our CCS design optimization problem. Nonetheless, DF has inherent limitations with respect to CCS design (e.g., limited transferability of trained models to new CCS packings). We conclude with ideas to address these challenges.

We introduce the Bayes-Adaptive Interactive Partially Observable Markov Decision Process (BA-IPOMDP), the first multiagent decision model that explicitly incorporates model learning. As in I-POMDPs, the BA-IPOMDP agent maintains beliefs over interactive states, which include the physical states as well as the other agents’ models. The BA-IPOMDP assumes that the state transition and observation probabilities are unknown, and augments the interactive states to include these parameters. Beliefs are maintained over this augmented interactive state space. This (necessary) state expansion exacerbates the curse of dimensionality, especially since each I-POMDP belief update is already a recursive procedure (because an agent invokes belief updates from other agents’ perspectives as part of its own belief update, in order to anticipate other agents’ actions). We extend the interactive particle filter to perform approximate belief update on BA-IPOMDPs. We present our findings on the multiagent Tiger problem.

We examine the suitability of using decision processes to model real-world systems of intelligent adversaries. Decision processes have long been used to study cooperative multiagent interactions, but their practical applicability to adversarial problems has received minimal study. We address the pros and cons of applying sequential decision-making in this area, using the crime of money laundering as a specific example. Motivated by case studies, we abstract out a model of the money laundering process, using the framework of interactive partially observable Markov decision processes (I-POMDPs). We address why this framework is well suited for modeling adversarial interactions. Particle filtering and value iteration are used to solve the model, with the application of different pruning and look-ahead strategies to assess the tradeoffs between solution quality and algorithmic run time. Our results show that there is a large gap in the level of realism that can currently be achieved by such decision models, largely due to computational demands that limit the size of problems that can be solved. While these results represent solutions to a simplified model of money laundering, they illustrate nonetheless the kinds of agent interactions that cannot be captured by standard approaches such as anomaly detection. This implies that I-POMDP methods may be valuable in the future, when algorithmic capabilities have further evolved.