Accurately predicting vapor pressure is vital for various industrial and environmental applications. However, obtaining accurate measurements for all compounds of interest is not possible due to the resource and labor intensity of experiments. The demand for resources and labor further multiplies when a temperature-dependent relationship for predicting vapor pressure is desired. In this paper, we propose PUFFIN (Path-Unifying Feed-Forward Interfaced Network), a machine learning framework that combines transfer learning with a new inductive bias node inspired by domain knowledge (the Antoine equation) to improve vapor pressure prediction. By leveraging inductive bias and transfer learning using graph embeddings, PUFFIN outperforms alternative strategies that do not use inductive bias or that use generic descriptors of compounds. The framework's incorporation of domain-specific knowledge to overcome the limitation of poor data availability shows its potential for broader applications in chemical compound analysis, including the prediction of other physicochemical properties. Importantly, our proposed machine learning framework is partially interpretable, because the inductive Antoine node yields network-derived Antoine equation coefficients. It would then be possible to directly incorporate the obtained analytical expression in process design software for better prediction and control of processes occurring in industry and the environment.

This thesis focuses on the problem of temporal planning under uncertainty with explicit safety guarantees, which are enforced by means of chance constraints. We aim at elevating the level in which operators interact with autonomous agents and specify their desired behavior, while retaining a keen sensitivity to risk. Instead of relying on unconditional sequences, our goal is to allow contingent plans to be dynamically scheduled and conditioned on observations of the world while remaining safe. Contingencies add flexibility by allowing goals to be achieved through different methods, while observations allow the agent to adapt to the environment. We demonstrate the usefulness of our chance-constrained temporal planning approaches in real-world applications, such as partially observable power supply restoration and collaborative human-robot manufacturing.

The system uses cameras that help lifeguards keep swimmers away from a hazardous situation near the shoreline. Every year, rip currents, undertows, and rip tides kill around 100 beachgoers in the United States. These bodies of water seep away from the shore through deep channels and are very common on nearly any worldwide beach. They are often indistinguishable in the eyes of a swimmer and even an inexperienced water sports enthusiast. And most people don't know what to do to avoid and survive a rip current.

Several multi-target regression methods were devel-oped in the last years aiming at improving predictive performanceby exploring inter-target correlation within the problem. However, none of these methods outperforms the others for all problems. This motivates the development of automatic approachesto recommend the most suitable multi-target regression method. In this paper, we propose a meta-learning system to recommend the best predictive method for a given multi-target regression problem. We performed experiments with a meta-dataset generated by a total of 648 synthetic datasets. These datasets were created to explore distinct inter-targets characteristics toward recommending the most promising method. In experiments, we evaluated four different algorithms with different biases as meta-learners. Our meta-dataset is composed of 58 meta-features, based on: statistical information, correlation characteristics, linear landmarking, from the distribution and smoothness of the data, and has four different meta-labels. Results showed that induced meta-models were able to recommend the best methodfor different base level datasets with a balanced accuracy superior to 70% using a Random Forest meta-model, which statistically outperformed the meta-learning baselines.