Data Party THU

Jul 15, 2026 · Artificial Intelligence

How Autoregressive Boltzmann Generators Are Redefining Molecular Sampling

The paper introduces Autoregressive Boltzmann Generators (ArBG) that replace flow‑based models with autoregressive modeling, enabling exact likelihood computation, efficient importance‑sampling correction, and scalable transfer learning, and demonstrates superior performance on peptide benchmarks compared with prior Boltzmann generators.