Analyzing global utilization and missed opportunities in debt-for-nature swaps with generative AI.

We deploy a prompt-augmented GPT-4 model to distill comprehensive datasets on the global application of debt-for-nature swaps (DNS), a pivotal financial tool for environmental conservation. Our analysis includes 195 nations and identifies 21 countries that have not yet used DNS before as prime candidates for DNS. A significant proportion demonstrates consistent commitments to conservation finance (0.

Data-driven discovery of molecular photoswitches with multioutput Gaussian processes.

Photoswitchable molecules display two or more isomeric forms that may be accessed using light. Separating the electronic absorption bands of these isomers is key to selectively addressing a specific isomer and achieving high photostationary states whilst overall red-shifting the absorption bands serves to limit material damage due to UV-exposure and increases penetration depth in photopharmacological applications. Engineering these properties into a system through synthetic design however, remains a challenge.

Generative model-enhanced human motion prediction.

The task of predicting human motion is complicated by the natural heterogeneity and compositionality of actions, necessitating robustness to distributional shifts as far as out-of-distribution (OoD). Here, we formulate a new OoD benchmark based on the Human3.6M and Carnegie Mellon University (CMU) motion capture datasets, and introduce a hybrid framework for hardening discriminative architectures to OoD failure by augmenting them with a generative model.

Mapping Materials and Molecules.

The visualization of data is indispensable in scientific research, from the early stages when human insight forms to the final step of communicating results. In computational physics, chemistry and materials science, it can be as simple as making a scatter plot or as straightforward as looking through the snapshots of atomic positions manually. However, as a result of the "big data" revolution, these conventional approaches are often inadequate.

Constrained Bayesian optimization for automatic chemical design using variational autoencoders.

Automatic Chemical Design is a framework for generating novel molecules with optimized properties. The original scheme, featuring Bayesian optimization over the latent space of a variational autoencoder, suffers from the pathology that it tends to produce invalid molecular structures. First, we demonstrate empirically that this pathology arises when the Bayesian optimization scheme queries latent space points far away from the data on which the variational autoencoder has been trained.