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Force and Energy Prediction on MD22 DHA + Stachyose

0.91Force MAEJoint FT
0.7621.7612.763.759Jun 2, 2026

Evaluation results

MethodLinks
Joint FTBackbone=Orb, Merging Strategy=Joint Fine-Tuning2026.060.91———
Joint FTArchitecture=Orb2026.060.9121———
GFFMERGEBackbone=Orb, Merging Strategy=GFFMERGE2026.061.04———
GFFMERGEArchitecture=Orb2026.061.0412———
Joint FTBackbone=M3GNet2026.061.48——0.05
GFFMERGEBackbone=M3GNet2026.061.7——0.04
Wt AveragingBackbone=M3GNet2026.063.34——1.88
TIESArchitecture=Orb2026.063.3783———
TIESBackbone=Orb, Merging Strategy=TIES2026.063.38———
Wt AvgBackbone=Orb, Merging Strategy=Weight Averaging2026.063.48———
EMRBackbone=M3GNet2026.063.53——2.13
FisherBackbone=M3GNet2026.063.69——2.59
EMRArchitecture=Orb2026.064.0178———
EMRBackbone=Orb, Merging Strategy=EMR2026.064.02———
FisherBackbone=Orb, Merging Strategy=Fisher2026.064.47———
TIESBackbone=M3GNet2026.064.61——3.72
GFFMERGEMerging Strategy=GFFMERGE, Precision=Full precision2026.06—1.69770.0391—
GFFMERGEPrecision=Full Precision2026.06—1.69770.0391—
Joint FTStrategy=Joint Fine-Tuning, Precision=Full precision2026.06—1.48250.0458—
Joint FTPrecision=Full Precision2026.06—1.48250.0458—
TIESPrecision=Full Precision2026.06—4.61233.7222—
Weight AveragingMerging Strategy=Weight Averaging, Precision=Full precision2026.06—3.34241.8824—