AI for Science at NEC Laboratories America brings advanced machine learning, data science, and computational methods to accelerate discovery across disciplines. Our researchers develop models that uncover patterns in complex data, simulate physical and biological systems, and enable new insights in fields such as healthcare, materials science, and environmental modeling, translating foundational research into real-world scientific impact.

Posts

Rethinking Molecular Drug Design: From Generation to Control

Designing drug molecules is no longer just about generation, but control. NEC Laboratories America introduces MolDiffdAE, a diffusion-based framework that enables precise, multi-objective tuning of 3D molecular properties. By learning a semantic space, researchers can efficiently guide design, accelerating drug discovery and exploration of chemical space.

Beyond Explainability: How We Are Redefining Interpretability in AI

AI interpretability has long been the focus, but what if it’s only part of the story? New research introduces model semantics, a framework for understanding what AI systems truly represent and how their internal structures connect to real-world phenomena.