D. Chakraborty

D. -M. Mei, K. Acharya, C. M. Adhikari et al.

Materials discovery and biomedical translation increasingly require models that can reason across composition, processing, structure, biological response, manufacturability, safety, and governance constraints. Existing materials and biomedical data ecosystems are powerful but remain poorly coupled for AI-guided discovery. Here we present AIMBio, a conceptual framework for an AI-native, FAIR, and governance-aware decision layer that links materials provenance, biomedical context, knowledge graphs, uncertainty-aware machine learning, and human-in-the-loop active learning. The framework formulates biomedical-materials discovery as constrained multi-objective optimization under uncertainty and introduces practical requirements for metadata, model documentation, risk-tiered governance, evaluation metrics, and phased implementation. To make the roadmap testable, we add a minimum viable prototype specification and a worked pilot for AI-guided nanomaterials for drug delivery. AIMBio is positioned as exploratory and preclinical discovery infrastructure, not as clinical decision-support software; any clinical or regulated-device use would require separate validation, change control, and regulatory review. The central contribution is a publishable platform blueprint for converting fragmented materials and biomedical records into auditable, experimentally actionable, and translationally responsible discovery workflows.

D. Chakraborty, S. Gopalakrishnan

This paper presents a novel algorithm to obtain the closed-form anti-derivative of a function using Deep Neural Network architecture. In the past, mathematicians have developed several numerical techniques to approximate the values of definite integrals, but primitives or indefinite integrals are often non-elementary. Anti-derivatives are necessarily required when there are several parameters in an integrand and the integral obtained is a function of those parameters. There is no theoretical method that can do this for any given function. Some existing ways to get around this are primarily based on either curve fitting or infinite series approximation of the integrand, which is then integrated theoretically. Curve fitting approximations are inaccurate for highly non-linear functions and require a different approach for every problem. On the other hand, the infinite series approach does not give a closed-form solution, and their truncated forms are often inaccurate. We claim that using a single method for all integrals, our algorithm can approximate anti-derivatives to any required accuracy. We have used this algorithm to obtain the anti-derivatives of several functions, including non-elementary and oscillatory integrals. This paper also shows the applications of our method to get the closed-form expressions of elliptic integrals, Fermi-Dirac integrals, and cumulative distribution functions and decrease the computation time of the Galerkin method for differential equations.