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Five Steps Change the Cost Curve of Crystal Structure Prediction

TL;DR for operators When a materials-screening pipeline must generate structures for thousands of compositions, the practical question is not only which model is most accurate, but how many sequential model calls are required to obtain that accuracy. Dey and colleagues’ uFlowCSP1 shifts that tradeoff sharply. On MP-20 with 20 candidates, five-step uFlowCSP reaches an 83.64% match rate using 100 model calls, compared with 78.34% for CrystalFlow using 2,000 and 77.93% for DiffCSP using roughly 20,000. Even one-step uFlowCSP reaches 78.38% with only 20 calls. ...

October 15, 2026 · 6 min · Zelina
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One Step, Not One Trick: SOM and the Q-Guided MeanFlow Policy

TL;DR for operators A control policy that needs twenty denoising steps before it can choose one action is not merely “expressive”. It is also late. In online reinforcement learning, that matters because policy inference is not a side calculation; it sits inside the loop that collects the next piece of experience. The paper on Score-Based One-step MeanFlow Policy Optimization, or SOM, tackles this operationally awkward trade-off: diffusion and flow policies can represent multimodal action distributions, but they often pay for that expressiveness through iterative sampling. SOM keeps the generative-policy idea but moves action generation into a one-step MeanFlow policy.1 ...

June 19, 2026 · 21 min · Zelina