LFMs sample missing conformational modes, trading coverage for fidelity
Niklas_TR · x · 2026-10-17
Across unseen peptides, LFMs show fast coverage of metastable states at larger step sizes, and performance similar to the Amber14 BAOAB reference potential/integrator at small steps — offering a knob to trade mode coverage for energetic fidelity. LFMs even sample missing modes in the benchmark dataset, validated with independent MD.
Related event: Langevin Flow Maps: Neural Network Potentials Learn Their Own Integrator(10 posts)→
More from Research
- Meta paper introduces "agent plasticity": best-performing agent isn't the most efficient learner — rohanpaul_ai · 2026-10-18
- SAE weight editing steers robot behavior at inference time, IIIT Hyderabad paper lands IJCAI Safe Physical AI workshop — ponguru · 2026-10-18
- NTU-led survey reviews nearly 200 papers on affordance learning for embodied AI — jiqizhixin · 2026-10-18
- vega-U: a 14.3M decision engine that cold-attaches to any frozen LLM, 0.811 held-out accuracy — kalyan_kpl · 2026-10-18
- Redditor proposes open source video editing dataset to fix brittle LoRA training — Emergency-Shake4529 · 2026-10-18
- New benchmark targets deep research agents that combine web search with internal tools — burkov · 2026-10-18