The increasing importance of carbon capture technologies for deployment in remediating CO2 emissions, and thus the necessity to improve capture materials to allow scalability and efficiency, faces the challenge of materials development, which can require substantial costs and time. Machine learning offers a promising method for reducing the time and resource burdens of materials development through efficient correlation of structure-property relationships to allow down-selection and focusing on promising candidates. Towards demonstrating this, we have developed an end-to-end "discovery cycle" to select new aqueous amines compatible with the commercially viable acid gas scrubbing carbon capture. We combine a simple, rapid laboratory assay for CO2 absorption with a machine learning based molecular fingerprinting model approach. The prediction process shows 60% accuracy against experiment for both material parameters and 80% for a single parameter on an external test set. The discovery cycle determined several promising amines that were verified experimentally, and which had not been applied to carbon capture previously. In the process we have compiled a large, single-source data set for carbon capture amines and produced an open source machine learning tool for the identification of amine molecule candidates (https://github.com/IBM/Carbon-capture-fingerprint-generation).

In many areas of the observational and experimental sciences data is scarce. Data observation in high-energy astrophysics is disrupted by celestial occlusions and limited telescope time while data derived from laboratory experiments in synthetic chemistry and materials science is time and cost-intensive to collect. On the other hand, knowledge about the data-generation mechanism is often available in the sciences, such as the measurement error of a piece of laboratory apparatus. Both characteristics, small data and knowledge of the underlying physics, make Gaussian processes (GPs) ideal candidates for fitting such datasets. GPs can make predictions with consideration of uncertainty, for example in the virtual screening of molecules and materials, and can also make inferences about incomplete data such as the latent emission signature from a black hole accretion disc. Furthermore, GPs are currently the workhorse model for Bayesian optimisation, a methodology foreseen to be a guide for laboratory experiments in scientific discovery campaigns. The first contribution of this thesis is to use GP modelling to reason about the latent emission signature from the Seyfert galaxy Markarian 335, and by extension, to reason about the applicability of various theoretical models of black hole accretion discs. The second contribution is to extend the GP framework to molecular and chemical reaction representations and to provide an open-source software library to enable the framework to be used by scientists. The third contribution is to leverage GPs to discover novel and performant photoswitch molecules. The fourth contribution is to introduce a Bayesian optimisation scheme capable of modelling aleatoric uncertainty to facilitate the identification of material compositions that possess intrinsic robustness to large scale fabrication processes.

Energetic materials (EM) such as propellants, explosives, and pyrotechnics are key components in many military and civilian applications. EMs are composites of organic crystals, plasticizers, metals, and other inclusions, forming complex microstructural morphologies, which strongly influence the properties and performance characteristics of these materials (1). For instance, the sensitivity to impact and shock loading--one of the key performance parameters for the design of safe and reliable EMs--is strongly influenced by their microstructures (2-4). Voids, cracks, and interfaces in EM microstructures are potential sites for energy localization, i.e., the formation of hightemperature regions called "hotspots" (5-8). Such hotspots are considered to be critical if they grow and produce steady deflagration fronts (9). If a sufficient number of such critical hotspots are generated in the microstructure, chemical energy release can be rapid enough to couple with the incident shock wave, initiating a detonation. Therefore, microstructural features localize energy release at hotspots and shock-microstructure interactions can lead to a shock-to-detonation transition in EMs. 1

Generating low-level robot task plans from high-level natural language instructions remains a challenging problem. Although large language models have shown promising results in generating plans, the accuracy of the output remains unverified. Furthermore, the lack of domain-specific language data poses a limitation on the applicability of these models. In this paper, we propose CLAIRIFY, a novel approach that combines automatic iterative prompting with program verification to ensure programs written in data-scarce domain-specific language are syntactically valid and incorporate environment constraints. Our approach provides effective guidance to the language model on generating structured-like task plans by incorporating any errors as feedback, while the verifier ensures the syntactic accuracy of the generated plans. We demonstrate the effectiveness of CLAIRIFY in planning chemistry experiments by achieving state-of-the-art results. We also show that the generated plans can be executed on a real robot by integrating them with a task and motion planner.

While Silicon Valley has transformed every industry from health care to banking, agriculture has remained largely untouched -- until now. Ever since OpenAI's breakthrough with ChatGPT, the term AI has been thrown around so many times it's starting to lose its meaning. Nevertheless, artificial intelligence has seeped into every industry from enterprise software to autonomous vehicles, taking around 10% of global venture dollars in 2022. Grow your revenue with all-in-one prospecting solutions powered by the leader in private-company data. Agriculture has not been immune to the AI revolution that has gripped the tech world.

MIT researchers have developed resilient artificial muscles that can enable insect-scale aerial robots to effectively recover flight performance after suffering severe damage. It is estimated that a foraging bee bumps into a flower about once per second, which damages its wings over time. Yet despite having many tiny rips or holes in their wings, bumblebees can still fly. Aerial robots, on the other hand, are not so resilient. Poke holes in the robot's wing motors or chop off part of its propellor, and odds are pretty good it will be grounded.

As a world market leader in crop protection, we help farmers to counter threats and ensure enough safe, nutritious, affordable food for all – while minimizing the use of land and other agricultural inputs. Syngenta Crop Protection keeps plants safe from planting to harvesting. From the moment a seed is planted through to harvest, crops need to be protected from weeds, insects, and diseases as well as droughts and floods, heat, and cold. Syngenta Crop Protection is headquartered in Switzerland. This role is based in Basel, Switzerland or Jealott's Hill, UK.

With robots being deployed in increasingly complex environments like underground mines and planetary surfaces, the multi-sensor fusion method has gained more and more attention which is a promising solution to state estimation in the such scene. The fusion scheme is a central component of these methods. In this paper, a light-weight iEKF-based LiDAR-inertial odometry system is presented, which utilizes a degeneration-aware and modular sensor-fusion pipeline that takes both LiDAR points and relative pose from another odometry as the measurement in the update process only when degeneration is detected. Both the Cramer-Rao Lower Bound (CRLB) theory and simulation test are used to demonstrate the higher accuracy of our method compared to methods using a single observation. Furthermore, the proposed system is evaluated in perceptually challenging datasets against various state-of-the-art sensor-fusion methods. The results show that the proposed system achieves real-time and high estimation accuracy performance despite the challenging environment and poor observations.

Access to complete data in large-scale networks is often infeasible. Therefore, the problem of missing data is a crucial and unavoidable issue in the analysis and modeling of real-world social networks. However, most of the research on different aspects of social networks does not consider this limitation. One effective way to solve this problem is to recover the missing data as a pre-processing step. In this paper, a model is learned from partially observed data to infer unobserved diffusion and structure networks. To jointly discover omitted diffusion activities and hidden network structures, we develop a probabilistic generative model called "DiffStru." The interrelations among links of nodes and cascade processes are utilized in the proposed method via learning coupled with low-dimensional latent factors. Besides inferring unseen data, latent factors such as community detection may also aid in network classification problems. We tested different missing data scenarios on simulated independent cascades over LFR networks and real datasets, including Twitter and Memtracker. Experiments on these synthetic and real-world datasets show that the proposed method successfully detects invisible social behaviors, predicts links, and identifies latent features.

The gold industry is undergoing a transformative phase, thanks to the advent of Artificial Intelligence (AI) technologies. With its ability to analyze vast amounts of data and identify patterns, AI is opening up new possibilities for the industry, from discovering new gold reserves to creating new business models and value-added services. One of the most significant impacts of AI in the gold industry is in the discovery of new reserves. By analyzing geological data, AI can identify anomalies that may indicate the presence of gold deposits. This allows mining companies to explore new areas with a greater degree of accuracy and efficiency, ultimately leading to the discovery of previously unknown reserves.