5 citations · 10 across the 8 of their papers we have counts for
7 papers · 1 filter
XxaCT-NN: Structure Agnostic Multimodal Learning for Materials Science
Jithendaraa Subramanian, Linda Hung, Daniel Schweigert +2
Recent advances in materials discovery have been driven by structure-based models, particularly those using crystal graphs. While effective for computational datasets, these models…
Context is Key: A Benchmark for Forecasting with Essential Textual Information
Andrew Robert Williams, Arjun Ashok, Étienne Marcotte +8
Forecasting is a critical task in decision-making across numerous domains. While historical numerical data provide a start, they fail to convey the complete context for reliable an…
Reinforcement Learning for Sequence Design Leveraging Protein Language Models
Jithendaraa Subramanian, Shivakanth Sujit, Niloy Irtisam +4
Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strateg…
Joint Bayesian Inference of Graphical Structure and Parameters with a Single Generative Flow Network
Tristan Deleu, Mizu Nishikawa-Toomey, Jithendaraa Subramanian +3
Generative Flow Networks (GFlowNets), a class of generative models over discrete and structured sample spaces, have been previously applied to the problem of inferring the marginal…
Bayesian learning of Causal Structure and Mechanisms with GFlowNets and Variational Bayes
Mizu Nishikawa-Toomey, Tristan Deleu, Jithendaraa Subramanian +2
Bayesian causal structure learning aims to learn a posterior distribution over directed acyclic graphs (DAGs), and the mechanisms that define the relationship between parent and ch…
Learning Latent Structural Causal Models
Jithendaraa Subramanian, Yashas Annadani, Ivaxi Sheth +5
Causal learning has long concerned itself with the accurate recovery of underlying causal mechanisms. Such causal modelling enables better explanations of out-of-distribution data.…
Latent Variable Models for Bayesian Causal Discovery
Jithendaraa Subramanian, Yashas Annadani, Ivaxi Sheth +3
Learning predictors that do not rely on spurious correlations involves building causal representations. However, learning such a representation is very challenging. We, therefore,…