Alejandro Duque

h-index4
2papers

2 Papers

8.3NAApr 19
Robust Deep FOSLS for Transmission Problems

Alejandro Duque, Paulina Sepúlveda, Carlos Uriarte et al.

This work presents a robust, energy-based deep learning framework for solving transmission problems in heterogeneous media, including cases with discontinuous material scenarios. We introduce a weighted First-Order System Least-Squares (FOSLS) formulation involving an energy-norm Poincaré constant and prove its equivalence to a natural energy norm of the underlying equations, with constants independent of material parameters. As a result, the optimization landscape remains aligned with a meaningful error approximation even under high material contrast, where standard neural network losses often deteriorate. We further prove that the FOSLS formulation, together with its integral-loss representation, exhibits a passive variance reduction property, whereby the gradient variance progressively decreases as the loss diminishes, in contrast to methods such as VPINNs and Deep Ritz. From a numerical standpoint, we adopt a reduced-order perspective by constructing a low-dimensional space described by a neural network. The optimal coefficients are computed via a least-squares solver, and the space is subsequently improved through gradient-based updates. By selecting the activation function ReQU, the method mitigates the spurious overshoots typically observed in smooth networks when approximating discontinuities. Numerical experiments in 1D and 2D interface settings corroborate these findings.

AIDec 12, 2023
Leveraging Large Language Models to Build and Execute Computational Workflows

Alejandro Duque, Abdullah Syed, Kastan V. Day et al.

The recent development of large language models (LLMs) with multi-billion parameters, coupled with the creation of user-friendly application programming interfaces (APIs), has paved the way for automatically generating and executing code in response to straightforward human queries. This paper explores how these emerging capabilities can be harnessed to facilitate complex scientific workflows, eliminating the need for traditional coding methods. We present initial findings from our attempt to integrate Phyloflow with OpenAI's function-calling API, and outline a strategy for developing a comprehensive workflow management system based on these concepts.