Interatomic Potential Prediction on LAM

1.1Al∪Mg∪Cu Energy MAEOurs

Evaluation results

Method
Ours2026.06	1.1	5.29	93.9	0.49	3.11	94.23	1.56	20.08	93.86	0.24	7.58	94.41	1.58	30.82	93.89	0.78	18.37	93.96	1.93	52.86	93.83	0.78	5.88	94.39	2.67	72.39	93.76
ELoRA2026.06	1.17	5.22	—	0.35	2.76	—	1.6	20.94	—	0.22	6.91	—	1.62	33.02	—	0.88	19.66	—	2.27	54.54	—	0.91	5.65	—	3.02	69.92	—
Full2026.06	1.33	5.19	—	0.67	2.81	—	1.55	20.83	—	0.21	6.4	—	1.77	33.02	—	1.16	19	—	3.1	51.98	—	1.29	5.51	—	2.38	76.05	—
Full fine-tuning2026.06	1.33	5.59	—	0.66	3.96	—	32.74	25.82	—	0.29	8.13	—	2.57	39.24	—	1.45	23.15	—	2.94	66	—	3.64	14.03	—	11.67	84.25	—
ELoRA2026.06	1.63	6.82	—	0.79	5.29	—	9.33	32.46	—	0.41	10.85	—	3.5	43.65	—	2.65	31.25	—	4.33	89.26	—	1.89	10.39	—	4.98	69.41	—
sparse equivariant fine-tuning2026.06	1.83	6.1	97.61	0.65	4.32	97.57	2.18	23.92	97.46	0.33	8.92	96.77	2.59	39.01	97.23	1.67	25.38	97.6	3.18	71.71	97.44	1.26	8.55	97.38	3.67	62.31	97.47
sparse equivariant fine-tuning2026.06	2.23	6.63	99.62	0.71	4.8	99.58	2.49	25.39	99.42	0.32	9.78	99.33	3.28	41.03	99.45	3.16	29.26	99.65	4.03	79.01	99.45	1.4	9.24	99.41	4.84	67.71	99.48