diff --git "a/checkpoints/DiffCSP/MPTS52/result.out" "b/checkpoints/DiffCSP/MPTS52/result.out" new file mode 100644--- /dev/null +++ "b/checkpoints/DiffCSP/MPTS52/result.out" @@ -0,0 +1,1891 @@ +--dataset=MPTS52 --lr=5e-4 --lr_scheduler=None --epochs=500 --num_evals=1 --batch_size=128 --emb_dim=128 --output_model_dir=../output_DiffCSP/MPTS52/5e-4_None_128_128_128_1_500 +Thu 08 Feb 2024 02:51:09 PM EST +start +/gpfs/home/admin.shengchao.liu/Crystal_Generation_workspace/Crystallization_Generation_Diffusion_dev/crystallization/models/DiffCSP/common/data_utils.py:904: UserWarning: To copy construct from a tensor, it is recommended to use sourceTensor.clone().detach() or sourceTensor.clone().detach().requires_grad_(True), rather than torch.tensor(sourceTensor). + X = torch.tensor(X, dtype=torch.float) +model CSPDiffusion( + (decoder): CSPNet( + (node_embedding): Embedding(100, 512) + (atom_latent_emb): Linear(in_features=768, out_features=512, bias=True) + (act_fn): SiLU() + (dis_emb): SinusoidsEmbedding() + (csp_layer_0): CSPLayer( + (dis_emb): SinusoidsEmbedding() + (edge_mlp): Sequential( + (0): Linear(in_features=1801, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (node_mlp): Sequential( + (0): Linear(in_features=1024, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True) + ) + (csp_layer_1): CSPLayer( + (dis_emb): SinusoidsEmbedding() + (edge_mlp): Sequential( + (0): Linear(in_features=1801, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (node_mlp): Sequential( + (0): Linear(in_features=1024, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True) + ) + (csp_layer_2): CSPLayer( + (dis_emb): SinusoidsEmbedding() + (edge_mlp): Sequential( + (0): Linear(in_features=1801, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (node_mlp): Sequential( + (0): Linear(in_features=1024, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True) + ) + (csp_layer_3): CSPLayer( + (dis_emb): SinusoidsEmbedding() + (edge_mlp): Sequential( + (0): Linear(in_features=1801, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (node_mlp): Sequential( + (0): Linear(in_features=1024, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True) + ) + (csp_layer_4): CSPLayer( + (dis_emb): SinusoidsEmbedding() + (edge_mlp): Sequential( + (0): Linear(in_features=1801, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (node_mlp): Sequential( + (0): Linear(in_features=1024, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True) + ) + (csp_layer_5): CSPLayer( + (dis_emb): SinusoidsEmbedding() + (edge_mlp): Sequential( + (0): Linear(in_features=1801, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (node_mlp): Sequential( + (0): Linear(in_features=1024, out_features=512, bias=True) + (1): SiLU() + (2): Linear(in_features=512, out_features=512, bias=True) + (3): SiLU() + ) + (layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True) + ) + (coord_out): Linear(in_features=512, out_features=3, bias=False) + (lattice_out): Linear(in_features=512, out_features=9, bias=False) + (final_layer_norm): LayerNorm((512,), eps=1e-05, elementwise_affine=True) + ) + (beta_scheduler): BetaScheduler() + (sigma_scheduler): SigmaScheduler() + (time_embedding): SinusoidalTimeEmbeddings() +) + +epoch 1 +train lattice loss: 4.336562 coord loss: 1.011209 + +epoch 2 +train lattice loss: 0.764232 coord loss: 0.994523 + +epoch 3 +train lattice loss: 0.750371 coord loss: 0.976725 + +epoch 4 +train lattice loss: 0.737543 coord loss: 0.959504 + +epoch 5 +train lattice loss: 0.672344 coord loss: 0.947553 + +epoch 6 +train lattice loss: 0.665799 coord loss: 0.939612 + +epoch 7 +train lattice loss: 0.727698 coord loss: 0.940692 + +epoch 8 +train lattice loss: 0.631887 coord loss: 0.928550 + +epoch 9 +train lattice loss: 0.623483 coord loss: 0.924188 + +epoch 10 +train lattice loss: 0.615890 coord loss: 0.922006 +val lattice loss: 0.654108 coord loss: 0.941772 +save model with optimal loss + +epoch 11 +train lattice loss: 0.600774 coord loss: 0.914146 + +epoch 12 +train lattice loss: 0.613297 coord loss: 0.908288 + +epoch 13 +train lattice loss: 0.598285 coord loss: 0.900690 + +epoch 14 +train lattice loss: 0.589629 coord loss: 0.887608 + +epoch 15 +train lattice loss: 0.581142 coord loss: 0.872221 + +epoch 16 +train lattice loss: 0.571615 coord loss: 0.860215 + +epoch 17 +train lattice loss: 0.575460 coord loss: 0.848019 + +epoch 18 +train lattice loss: 0.568183 coord loss: 0.834905 + +epoch 19 +train lattice loss: 0.558574 coord loss: 0.823447 + +epoch 20 +train lattice loss: 0.562718 coord loss: 0.813757 +val lattice loss: 0.621379 coord loss: 0.837014 +save model with optimal loss + +epoch 21 +train lattice loss: 0.552553 coord loss: 0.804534 + +epoch 22 +train lattice loss: 0.557096 coord loss: 0.797232 + +epoch 23 +train lattice loss: 0.547204 coord loss: 0.789185 + +epoch 24 +train lattice loss: 0.546204 coord loss: 0.785275 + +epoch 25 +train lattice loss: 0.540175 coord loss: 0.774317 + +epoch 26 +train lattice loss: 0.539389 coord loss: 0.768044 + +epoch 27 +train lattice loss: 0.533172 coord loss: 0.762949 + +epoch 28 +train lattice loss: 0.531648 coord loss: 0.754989 + +epoch 29 +train lattice loss: 0.534603 coord loss: 0.749542 + +epoch 30 +train lattice loss: 0.527423 coord loss: 0.742548 +val lattice loss: 0.562551 coord loss: 0.778499 +save model with optimal loss + +epoch 31 +train lattice loss: 0.524971 coord loss: 0.736512 + +epoch 32 +train lattice loss: 0.520235 coord loss: 0.730459 + +epoch 33 +train lattice loss: 0.517836 coord loss: 0.729409 + +epoch 34 +train lattice loss: 0.517775 coord loss: 0.722175 + +epoch 35 +train lattice loss: 0.511894 coord loss: 0.717038 + +epoch 36 +train lattice loss: 0.510825 coord loss: 0.714158 + +epoch 37 +train lattice loss: 0.508045 coord loss: 0.708661 + +epoch 38 +train lattice loss: 0.501434 coord loss: 0.705291 + +epoch 39 +train lattice loss: 0.500894 coord loss: 0.697423 + +epoch 40 +train lattice loss: 0.505107 coord loss: 0.698107 +val lattice loss: 0.545651 coord loss: 0.729490 +save model with optimal loss + +epoch 41 +train lattice loss: 0.496299 coord loss: 0.690792 + +epoch 42 +train lattice loss: 0.496260 coord loss: 0.687086 + +epoch 43 +train lattice loss: 0.490261 coord loss: 0.684668 + +epoch 44 +train lattice loss: 0.493345 coord loss: 0.679010 + +epoch 45 +train lattice loss: 0.491094 coord loss: 0.673462 + +epoch 46 +train lattice loss: 0.487175 coord loss: 0.674244 + +epoch 47 +train lattice loss: 0.488729 coord loss: 0.666664 + +epoch 48 +train lattice loss: 0.484385 coord loss: 0.662741 + +epoch 49 +train lattice loss: 0.480901 coord loss: 0.662979 + +epoch 50 +train lattice loss: 0.480365 coord loss: 0.658424 +val lattice loss: 0.527000 coord loss: 0.692123 +save model with optimal loss + +epoch 51 +train lattice loss: 0.482623 coord loss: 0.657934 + +epoch 52 +train lattice loss: 0.479928 coord loss: 0.657144 + +epoch 53 +train lattice loss: 0.481047 coord loss: 0.649937 + +epoch 54 +train lattice loss: 0.473388 coord loss: 0.645854 + +epoch 55 +train lattice loss: 0.466854 coord loss: 0.643146 + +epoch 56 +train lattice loss: 0.471696 coord loss: 0.641791 + +epoch 57 +train lattice loss: 0.472031 coord loss: 0.637046 + +epoch 58 +train lattice loss: 0.466150 coord loss: 0.636344 + +epoch 59 +train lattice loss: 0.467292 coord loss: 0.632698 + +epoch 60 +train lattice loss: 0.472110 coord loss: 0.631690 +val lattice loss: 0.522720 coord loss: 0.679050 +save model with optimal loss + +epoch 61 +train lattice loss: 0.463704 coord loss: 0.630326 + +epoch 62 +train lattice loss: 0.464658 coord loss: 0.627378 + +epoch 63 +train lattice loss: 0.460533 coord loss: 0.620091 + +epoch 64 +train lattice loss: 0.461569 coord loss: 0.623704 + +epoch 65 +train lattice loss: 0.462561 coord loss: 0.622421 + +epoch 66 +train lattice loss: 0.461858 coord loss: 0.616507 + +epoch 67 +train lattice loss: 0.457300 coord loss: 0.618134 + +epoch 68 +train lattice loss: 0.454368 coord loss: 0.616578 + +epoch 69 +train lattice loss: 0.458653 coord loss: 0.614269 + +epoch 70 +train lattice loss: 0.455649 coord loss: 0.609933 +val lattice loss: 0.497491 coord loss: 0.656989 +save model with optimal loss + +epoch 71 +train lattice loss: 0.453325 coord loss: 0.607215 + +epoch 72 +train lattice loss: 0.453019 coord loss: 0.609866 + +epoch 73 +train lattice loss: 0.451548 coord loss: 0.605900 + +epoch 74 +train lattice loss: 0.454520 coord loss: 0.605465 + +epoch 75 +train lattice loss: 0.452013 coord loss: 0.602502 + +epoch 76 +train lattice loss: 0.448449 coord loss: 0.604822 + +epoch 77 +train lattice loss: 0.447115 coord loss: 0.600136 + +epoch 78 +train lattice loss: 0.444288 coord loss: 0.596565 + +epoch 79 +train lattice loss: 0.448041 coord loss: 0.594376 + +epoch 80 +train lattice loss: 0.445872 coord loss: 0.592047 +val lattice loss: 0.484529 coord loss: 0.641940 +save model with optimal loss + +epoch 81 +train lattice loss: 0.444530 coord loss: 0.589440 + +epoch 82 +train lattice loss: 0.439332 coord loss: 0.593727 + +epoch 83 +train lattice loss: 0.446565 coord loss: 0.589064 + +epoch 84 +train lattice loss: 0.438652 coord loss: 0.590103 + +epoch 85 +train lattice loss: 0.439323 coord loss: 0.587287 + +epoch 86 +train lattice loss: 0.442629 coord loss: 0.590800 + +epoch 87 +train lattice loss: 0.444485 coord loss: 0.586964 + +epoch 88 +train lattice loss: 0.442180 coord loss: 0.586774 + +epoch 89 +train lattice loss: 0.439472 coord loss: 0.584226 + +epoch 90 +train lattice loss: 0.436283 coord loss: 0.583429 +val lattice loss: 0.480663 coord loss: 0.631415 +save model with optimal loss + +epoch 91 +train lattice loss: 0.435645 coord loss: 0.582757 + +epoch 92 +train lattice loss: 0.435486 coord loss: 0.580544 + +epoch 93 +train lattice loss: 0.434976 coord loss: 0.574854 + +epoch 94 +train lattice loss: 0.434736 coord loss: 0.578010 + +epoch 95 +train lattice loss: 0.435393 coord loss: 0.581663 + +epoch 96 +train lattice loss: 0.431630 coord loss: 0.571684 + +epoch 97 +train lattice loss: 0.430526 coord loss: 0.571522 + +epoch 98 +train lattice loss: 0.436243 coord loss: 0.575983 + +epoch 99 +train lattice loss: 0.429593 coord loss: 0.567415 + +epoch 100 +train lattice loss: 0.432080 coord loss: 0.571304 +val lattice loss: 0.473455 coord loss: 0.625125 +save model with optimal loss + +epoch 101 +train lattice loss: 0.431803 coord loss: 0.574236 + +epoch 102 +train lattice loss: 0.431389 coord loss: 0.570441 + +epoch 103 +train lattice loss: 0.428220 coord loss: 0.569461 + +epoch 104 +train lattice loss: 0.428951 coord loss: 0.567125 + +epoch 105 +train lattice loss: 0.428718 coord loss: 0.562365 + +epoch 106 +train lattice loss: 0.425210 coord loss: 0.564797 + +epoch 107 +train lattice loss: 0.429442 coord loss: 0.570035 + +epoch 108 +train lattice loss: 0.424334 coord loss: 0.565885 + +epoch 109 +train lattice loss: 0.427373 coord loss: 0.571327 + +epoch 110 +train lattice loss: 0.428235 coord loss: 0.564646 +val lattice loss: 0.465565 coord loss: 0.613464 +save model with optimal loss + +epoch 111 +train lattice loss: 0.427444 coord loss: 0.555532 + +epoch 112 +train lattice loss: 0.428129 coord loss: 0.564135 + +epoch 113 +train lattice loss: 0.425303 coord loss: 0.559132 + +epoch 114 +train lattice loss: 0.426048 coord loss: 0.557298 + +epoch 115 +train lattice loss: 0.424123 coord loss: 0.562020 + +epoch 116 +train lattice loss: 0.426872 coord loss: 0.561589 + +epoch 117 +train lattice loss: 0.422128 coord loss: 0.558239 + +epoch 118 +train lattice loss: 0.420163 coord loss: 0.559641 + +epoch 119 +train lattice loss: 0.425774 coord loss: 0.551193 + +epoch 120 +train lattice loss: 0.424154 coord loss: 0.553166 +val lattice loss: 0.463779 coord loss: 0.602252 +save model with optimal loss + +epoch 121 +train lattice loss: 0.421827 coord loss: 0.553677 + +epoch 122 +train lattice loss: 0.416746 coord loss: 0.552303 + +epoch 123 +train lattice loss: 0.421645 coord loss: 0.551378 + +epoch 124 +train lattice loss: 0.422277 coord loss: 0.552123 + +epoch 125 +train lattice loss: 0.423687 coord loss: 0.554723 + +epoch 126 +train lattice loss: 0.421095 coord loss: 0.551049 + +epoch 127 +train lattice loss: 0.416837 coord loss: 0.548653 + +epoch 128 +train lattice loss: 0.416307 coord loss: 0.551664 + +epoch 129 +train lattice loss: 0.421470 coord loss: 0.551027 + +epoch 130 +train lattice loss: 0.418286 coord loss: 0.548578 +val lattice loss: 0.464918 coord loss: 0.588687 +save model with optimal loss + +epoch 131 +train lattice loss: 0.418018 coord loss: 0.549695 + +epoch 132 +train lattice loss: 0.417219 coord loss: 0.547240 + +epoch 133 +train lattice loss: 0.414727 coord loss: 0.542942 + +epoch 134 +train lattice loss: 0.415254 coord loss: 0.548471 + +epoch 135 +train lattice loss: 0.415342 coord loss: 0.540489 + +epoch 136 +train lattice loss: 0.411400 coord loss: 0.546576 + +epoch 137 +train lattice loss: 0.415823 coord loss: 0.547090 + +epoch 138 +train lattice loss: 0.414231 coord loss: 0.542168 + +epoch 139 +train lattice loss: 0.414194 coord loss: 0.540663 + +epoch 140 +train lattice loss: 0.417193 coord loss: 0.544926 +val lattice loss: 0.465781 coord loss: 0.594440 + +epoch 141 +train lattice loss: 0.410798 coord loss: 0.542126 + +epoch 142 +train lattice loss: 0.411733 coord loss: 0.540903 + +epoch 143 +train lattice loss: 0.410130 coord loss: 0.544662 + +epoch 144 +train lattice loss: 0.410527 coord loss: 0.542170 + +epoch 145 +train lattice loss: 0.412515 coord loss: 0.539796 + +epoch 146 +train lattice loss: 0.414181 coord loss: 0.538291 + +epoch 147 +train lattice loss: 0.414237 coord loss: 0.540790 + +epoch 148 +train lattice loss: 0.410109 coord loss: 0.542041 + +epoch 149 +train lattice loss: 0.414530 coord loss: 0.536686 + +epoch 150 +train lattice loss: 0.413279 coord loss: 0.539316 +val lattice loss: 0.456276 coord loss: 0.593114 +save model with optimal loss + +epoch 151 +train lattice loss: 0.410841 coord loss: 0.538348 + +epoch 152 +train lattice loss: 0.406813 coord loss: 0.536394 + +epoch 153 +train lattice loss: 0.406920 coord loss: 0.538850 + +epoch 154 +train lattice loss: 0.412437 coord loss: 0.531954 + +epoch 155 +train lattice loss: 0.410730 coord loss: 0.532958 + +epoch 156 +train lattice loss: 0.409812 coord loss: 0.531121 + +epoch 157 +train lattice loss: 0.409416 coord loss: 0.533948 + +epoch 158 +train lattice loss: 0.408832 coord loss: 0.536057 + +epoch 159 +train lattice loss: 0.405738 coord loss: 0.537876 + +epoch 160 +train lattice loss: 0.407630 coord loss: 0.533787 +val lattice loss: 0.454394 coord loss: 0.581699 +save model with optimal loss + +epoch 161 +train lattice loss: 0.407560 coord loss: 0.531516 + +epoch 162 +train lattice loss: 0.404905 coord loss: 0.533082 + +epoch 163 +train lattice loss: 0.405584 coord loss: 0.532255 + +epoch 164 +train lattice loss: 0.410530 coord loss: 0.531005 + +epoch 165 +train lattice loss: 0.407440 coord loss: 0.528827 + +epoch 166 +train lattice loss: 0.407634 coord loss: 0.534698 + +epoch 167 +train lattice loss: 0.403776 coord loss: 0.529380 + +epoch 168 +train lattice loss: 0.402908 coord loss: 0.532155 + +epoch 169 +train lattice loss: 0.405444 coord loss: 0.525738 + +epoch 170 +train lattice loss: 0.402463 coord loss: 0.523350 +val lattice loss: 0.462921 coord loss: 0.572642 +save model with optimal loss + +epoch 171 +train lattice loss: 0.406966 coord loss: 0.524370 + +epoch 172 +train lattice loss: 0.406781 coord loss: 0.528058 + +epoch 173 +train lattice loss: 0.407670 coord loss: 0.527637 + +epoch 174 +train lattice loss: 0.406363 coord loss: 0.525268 + +epoch 175 +train lattice loss: 0.405741 coord loss: 0.526996 + +epoch 176 +train lattice loss: 0.404226 coord loss: 0.529114 + +epoch 177 +train lattice loss: 0.400860 coord loss: 0.525116 + +epoch 178 +train lattice loss: 0.405122 coord loss: 0.526836 + +epoch 179 +train lattice loss: 0.406799 coord loss: 0.527104 + +epoch 180 +train lattice loss: 0.405732 coord loss: 0.524648 +val lattice loss: 0.453405 coord loss: 0.572836 +save model with optimal loss + +epoch 181 +train lattice loss: 0.399548 coord loss: 0.525540 + +epoch 182 +train lattice loss: 0.404394 coord loss: 0.527910 + +epoch 183 +train lattice loss: 0.401034 coord loss: 0.520290 + +epoch 184 +train lattice loss: 0.398532 coord loss: 0.521520 + +epoch 185 +train lattice loss: 0.405390 coord loss: 0.522368 + +epoch 186 +train lattice loss: 0.402067 coord loss: 0.517622 + +epoch 187 +train lattice loss: 0.399567 coord loss: 0.520760 + +epoch 188 +train lattice loss: 0.402722 coord loss: 0.519608 + +epoch 189 +train lattice loss: 0.402691 coord loss: 0.521851 + +epoch 190 +train lattice loss: 0.401288 coord loss: 0.522696 +val lattice loss: 0.455748 coord loss: 0.556764 +save model with optimal loss + +epoch 191 +train lattice loss: 0.399558 coord loss: 0.521308 + +epoch 192 +train lattice loss: 0.399349 coord loss: 0.517349 + +epoch 193 +train lattice loss: 0.401991 coord loss: 0.522670 + +epoch 194 +train lattice loss: 0.401629 coord loss: 0.513467 + +epoch 195 +train lattice loss: 0.398999 coord loss: 0.518895 + +epoch 196 +train lattice loss: 0.401676 coord loss: 0.516850 + +epoch 197 +train lattice loss: 0.404996 coord loss: 0.518793 + +epoch 198 +train lattice loss: 0.398590 coord loss: 0.516943 + +epoch 199 +train lattice loss: 0.400293 coord loss: 0.524002 + +epoch 200 +train lattice loss: 0.402578 coord loss: 0.512185 +val lattice loss: 0.455424 coord loss: 0.571306 + +epoch 201 +train lattice loss: 0.397839 coord loss: 0.520295 + +epoch 202 +train lattice loss: 0.398685 coord loss: 0.516410 + +epoch 203 +train lattice loss: 0.400799 coord loss: 0.516971 + +epoch 204 +train lattice loss: 0.399312 coord loss: 0.512341 + +epoch 205 +train lattice loss: 0.403251 coord loss: 0.513015 + +epoch 206 +train lattice loss: 0.397827 coord loss: 0.510945 + +epoch 207 +train lattice loss: 0.396828 coord loss: 0.519958 + +epoch 208 +train lattice loss: 0.393718 coord loss: 0.513329 + +epoch 209 +train lattice loss: 0.399290 coord loss: 0.511513 + +epoch 210 +train lattice loss: 0.399130 coord loss: 0.510708 +val lattice loss: 0.448093 coord loss: 0.568230 + +epoch 211 +train lattice loss: 0.395673 coord loss: 0.508188 + +epoch 212 +train lattice loss: 0.394020 coord loss: 0.513229 + +epoch 213 +train lattice loss: 0.396356 coord loss: 0.515165 + +epoch 214 +train lattice loss: 0.395835 coord loss: 0.513827 + +epoch 215 +train lattice loss: 0.394013 coord loss: 0.513713 + +epoch 216 +train lattice loss: 0.393705 coord loss: 0.513408 + +epoch 217 +train lattice loss: 0.396243 coord loss: 0.517441 + +epoch 218 +train lattice loss: 0.395973 coord loss: 0.513354 + +epoch 219 +train lattice loss: 0.395064 coord loss: 0.513777 + +epoch 220 +train lattice loss: 0.398811 coord loss: 0.511948 +val lattice loss: 0.449580 coord loss: 0.559641 +save model with optimal loss + +epoch 221 +train lattice loss: 0.396002 coord loss: 0.507962 + +epoch 222 +train lattice loss: 0.390713 coord loss: 0.508588 + +epoch 223 +train lattice loss: 0.391022 coord loss: 0.507645 + +epoch 224 +train lattice loss: 0.394051 coord loss: 0.509976 + +epoch 225 +train lattice loss: 0.396951 coord loss: 0.510648 + +epoch 226 +train lattice loss: 0.397469 coord loss: 0.514176 + +epoch 227 +train lattice loss: 0.393436 coord loss: 0.506656 + +epoch 228 +train lattice loss: 0.392166 coord loss: 0.504910 + +epoch 229 +train lattice loss: 0.393701 coord loss: 0.510982 + +epoch 230 +train lattice loss: 0.394531 coord loss: 0.512313 +val lattice loss: 0.456557 coord loss: 0.569047 + +epoch 231 +train lattice loss: 0.395933 coord loss: 0.509321 + +epoch 232 +train lattice loss: 0.394642 coord loss: 0.511474 + +epoch 233 +train lattice loss: 0.392953 coord loss: 0.505522 + +epoch 234 +train lattice loss: 0.391411 coord loss: 0.510759 + +epoch 235 +train lattice loss: 0.395520 coord loss: 0.511855 + +epoch 236 +train lattice loss: 0.390375 coord loss: 0.506686 + +epoch 237 +train lattice loss: 0.394343 coord loss: 0.507094 + +epoch 238 +train lattice loss: 0.390203 coord loss: 0.508559 + +epoch 239 +train lattice loss: 0.395232 coord loss: 0.502140 + +epoch 240 +train lattice loss: 0.396899 coord loss: 0.510946 +val lattice loss: 0.455793 coord loss: 0.559441 + +epoch 241 +train lattice loss: 0.393221 coord loss: 0.502080 + +epoch 242 +train lattice loss: 0.394746 coord loss: 0.509668 + +epoch 243 +train lattice loss: 0.395118 coord loss: 0.506922 + +epoch 244 +train lattice loss: 0.393084 coord loss: 0.507534 + +epoch 245 +train lattice loss: 0.391471 coord loss: 0.503654 + +epoch 246 +train lattice loss: 0.392952 coord loss: 0.501902 + +epoch 247 +train lattice loss: 0.392226 coord loss: 0.506252 + +epoch 248 +train lattice loss: 0.391290 coord loss: 0.504627 + +epoch 249 +train lattice loss: 0.392709 coord loss: 0.498772 + +epoch 250 +train lattice loss: 0.392562 coord loss: 0.502727 +val lattice loss: 0.450583 coord loss: 0.552766 +save model with optimal loss + +epoch 251 +train lattice loss: 0.390778 coord loss: 0.505910 + +epoch 252 +train lattice loss: 0.392671 coord loss: 0.501483 + +epoch 253 +train lattice loss: 0.389080 coord loss: 0.506470 + +epoch 254 +train lattice loss: 0.385546 coord loss: 0.501505 + +epoch 255 +train lattice loss: 0.387948 coord loss: 0.506261 + +epoch 256 +train lattice loss: 0.392256 coord loss: 0.505397 + +epoch 257 +train lattice loss: 0.394570 coord loss: 0.500661 + +epoch 258 +train lattice loss: 0.389871 coord loss: 0.499732 + +epoch 259 +train lattice loss: 0.390279 coord loss: 0.500721 + +epoch 260 +train lattice loss: 0.393413 coord loss: 0.500222 +val lattice loss: 0.455487 coord loss: 0.556849 + +epoch 261 +train lattice loss: 0.393777 coord loss: 0.501219 + +epoch 262 +train lattice loss: 0.393267 coord loss: 0.501908 + +epoch 263 +train lattice loss: 0.389488 coord loss: 0.499405 + +epoch 264 +train lattice loss: 0.391378 coord loss: 0.503706 + +epoch 265 +train lattice loss: 0.391223 coord loss: 0.503829 + +epoch 266 +train lattice loss: 0.390423 coord loss: 0.500693 + +epoch 267 +train lattice loss: 0.386635 coord loss: 0.499268 + +epoch 268 +train lattice loss: 0.385366 coord loss: 0.494776 + +epoch 269 +train lattice loss: 0.388978 coord loss: 0.497668 + +epoch 270 +train lattice loss: 0.389395 coord loss: 0.503804 +val lattice loss: 0.451419 coord loss: 0.555810 + +epoch 271 +train lattice loss: 0.390404 coord loss: 0.501561 + +epoch 272 +train lattice loss: 0.387889 coord loss: 0.499992 + +epoch 273 +train lattice loss: 0.389634 coord loss: 0.498062 + +epoch 274 +train lattice loss: 0.388328 coord loss: 0.497232 + +epoch 275 +train lattice loss: 0.386344 coord loss: 0.502737 + +epoch 276 +train lattice loss: 0.387245 coord loss: 0.498660 + +epoch 277 +train lattice loss: 0.390440 coord loss: 0.495707 + +epoch 278 +train lattice loss: 0.393468 coord loss: 0.497256 + +epoch 279 +train lattice loss: 0.388330 coord loss: 0.499298 + +epoch 280 +train lattice loss: 0.384413 coord loss: 0.496115 +val lattice loss: 0.454344 coord loss: 0.549826 + +epoch 281 +train lattice loss: 0.389511 coord loss: 0.498532 + +epoch 282 +train lattice loss: 0.388766 coord loss: 0.498938 + +epoch 283 +train lattice loss: 0.385822 coord loss: 0.492047 + +epoch 284 +train lattice loss: 0.388013 coord loss: 0.501183 + +epoch 285 +train lattice loss: 0.386590 coord loss: 0.497280 + +epoch 286 +train lattice loss: 0.385496 coord loss: 0.497721 + +epoch 287 +train lattice loss: 0.384525 coord loss: 0.498314 + +epoch 288 +train lattice loss: 0.390817 coord loss: 0.495083 + +epoch 289 +train lattice loss: 0.388147 coord loss: 0.491230 + +epoch 290 +train lattice loss: 0.386683 coord loss: 0.495995 +val lattice loss: 0.455987 coord loss: 0.556997 + +epoch 291 +train lattice loss: 0.387656 coord loss: 0.490939 + +epoch 292 +train lattice loss: 0.386843 coord loss: 0.494422 + +epoch 293 +train lattice loss: 0.383737 coord loss: 0.496301 + +epoch 294 +train lattice loss: 0.389355 coord loss: 0.497085 + +epoch 295 +train lattice loss: 0.387413 coord loss: 0.495640 + +epoch 296 +train lattice loss: 0.385677 coord loss: 0.492861 + +epoch 297 +train lattice loss: 0.382763 coord loss: 0.492156 + +epoch 298 +train lattice loss: 0.387695 coord loss: 0.493784 + +epoch 299 +train lattice loss: 0.385910 coord loss: 0.498453 + +epoch 300 +train lattice loss: 0.386565 coord loss: 0.498540 +val lattice loss: 0.448207 coord loss: 0.553788 +save model with optimal loss + +epoch 301 +train lattice loss: 0.388598 coord loss: 0.494800 + +epoch 302 +train lattice loss: 0.386553 coord loss: 0.492221 + +epoch 303 +train lattice loss: 0.381904 coord loss: 0.495446 + +epoch 304 +train lattice loss: 0.386265 coord loss: 0.490362 + +epoch 305 +train lattice loss: 0.382011 coord loss: 0.494125 + +epoch 306 +train lattice loss: 0.383629 coord loss: 0.499807 + +epoch 307 +train lattice loss: 0.383024 coord loss: 0.492416 + +epoch 308 +train lattice loss: 0.383974 coord loss: 0.491476 + +epoch 309 +train lattice loss: 0.386264 coord loss: 0.495598 + +epoch 310 +train lattice loss: 0.386008 coord loss: 0.494909 +val lattice loss: 0.460714 coord loss: 0.544926 + +epoch 311 +train lattice loss: 0.385651 coord loss: 0.488890 + +epoch 312 +train lattice loss: 0.384128 coord loss: 0.492590 + +epoch 313 +train lattice loss: 0.384619 coord loss: 0.487822 + +epoch 314 +train lattice loss: 0.383901 coord loss: 0.490710 + +epoch 315 +train lattice loss: 0.386682 coord loss: 0.488267 + +epoch 316 +train lattice loss: 0.387929 coord loss: 0.491191 + +epoch 317 +train lattice loss: 0.383932 coord loss: 0.493559 + +epoch 318 +train lattice loss: 0.382563 coord loss: 0.490591 + +epoch 319 +train lattice loss: 0.383762 coord loss: 0.492996 + +epoch 320 +train lattice loss: 0.382924 coord loss: 0.490027 +val lattice loss: 0.452437 coord loss: 0.555416 + +epoch 321 +train lattice loss: 0.382852 coord loss: 0.486360 + +epoch 322 +train lattice loss: 0.386909 coord loss: 0.495150 + +epoch 323 +train lattice loss: 0.383190 coord loss: 0.491723 + +epoch 324 +train lattice loss: 0.378905 coord loss: 0.488672 + +epoch 325 +train lattice loss: 0.383380 coord loss: 0.490132 + +epoch 326 +train lattice loss: 0.384576 coord loss: 0.493638 + +epoch 327 +train lattice loss: 0.382096 coord loss: 0.489005 + +epoch 328 +train lattice loss: 0.387242 coord loss: 0.488983 + +epoch 329 +train lattice loss: 0.380611 coord loss: 0.489319 + +epoch 330 +train lattice loss: 0.383656 coord loss: 0.487040 +val lattice loss: 0.453990 coord loss: 0.560689 + +epoch 331 +train lattice loss: 0.383470 coord loss: 0.487178 + +epoch 332 +train lattice loss: 0.384849 coord loss: 0.487844 + +epoch 333 +train lattice loss: 0.384334 coord loss: 0.486060 + +epoch 334 +train lattice loss: 0.385194 coord loss: 0.490645 + +epoch 335 +train lattice loss: 0.381354 coord loss: 0.481860 + +epoch 336 +train lattice loss: 0.385735 coord loss: 0.490183 + +epoch 337 +train lattice loss: 0.381189 coord loss: 0.491467 + +epoch 338 +train lattice loss: 0.383448 coord loss: 0.485423 + +epoch 339 +train lattice loss: 0.381967 coord loss: 0.491259 + +epoch 340 +train lattice loss: 0.379117 coord loss: 0.485924 +val lattice loss: 0.453291 coord loss: 0.543011 +save model with optimal loss + +epoch 341 +train lattice loss: 0.381347 coord loss: 0.483512 + +epoch 342 +train lattice loss: 0.380567 coord loss: 0.486878 + +epoch 343 +train lattice loss: 0.382686 coord loss: 0.482002 + +epoch 344 +train lattice loss: 0.382548 coord loss: 0.484364 + +epoch 345 +train lattice loss: 0.384920 coord loss: 0.486488 + +epoch 346 +train lattice loss: 0.378349 coord loss: 0.487149 + +epoch 347 +train lattice loss: 0.385024 coord loss: 0.487618 + +epoch 348 +train lattice loss: 0.381769 coord loss: 0.485374 + +epoch 349 +train lattice loss: 0.386194 coord loss: 0.485338 + +epoch 350 +train lattice loss: 0.380951 coord loss: 0.486890 +val lattice loss: 0.456225 coord loss: 0.553999 + +epoch 351 +train lattice loss: 0.379851 coord loss: 0.484206 + +epoch 352 +train lattice loss: 0.384573 coord loss: 0.484046 + +epoch 353 +train lattice loss: 0.382484 coord loss: 0.482383 + +epoch 354 +train lattice loss: 0.383717 coord loss: 0.484302 + +epoch 355 +train lattice loss: 0.379092 coord loss: 0.485410 + +epoch 356 +train lattice loss: 0.378370 coord loss: 0.481441 + +epoch 357 +train lattice loss: 0.376823 coord loss: 0.482566 + +epoch 358 +train lattice loss: 0.382169 coord loss: 0.485579 + +epoch 359 +train lattice loss: 0.383755 coord loss: 0.480049 + +epoch 360 +train lattice loss: 0.379561 coord loss: 0.484694 +val lattice loss: 0.454173 coord loss: 0.559471 + +epoch 361 +train lattice loss: 0.379267 coord loss: 0.484673 + +epoch 362 +train lattice loss: 0.380398 coord loss: 0.481328 + +epoch 363 +train lattice loss: 0.378768 coord loss: 0.481814 + +epoch 364 +train lattice loss: 0.379705 coord loss: 0.481573 + +epoch 365 +train lattice loss: 0.382427 coord loss: 0.487857 + +epoch 366 +train lattice loss: 0.378726 coord loss: 0.480141 + +epoch 367 +train lattice loss: 0.380869 coord loss: 0.484934 + +epoch 368 +train lattice loss: 0.375051 coord loss: 0.486794 + +epoch 369 +train lattice loss: 0.383590 coord loss: 0.486543 + +epoch 370 +train lattice loss: 0.379980 coord loss: 0.482223 +val lattice loss: 0.457478 coord loss: 0.556594 + +epoch 371 +train lattice loss: 0.377576 coord loss: 0.490090 + +epoch 372 +train lattice loss: 0.377471 coord loss: 0.483518 + +epoch 373 +train lattice loss: 0.377616 coord loss: 0.485054 + +epoch 374 +train lattice loss: 0.373394 coord loss: 0.474206 + +epoch 375 +train lattice loss: 0.376881 coord loss: 0.485647 + +epoch 376 +train lattice loss: 0.378526 coord loss: 0.481794 + +epoch 377 +train lattice loss: 0.378114 coord loss: 0.481095 + +epoch 378 +train lattice loss: 0.380528 coord loss: 0.481065 + +epoch 379 +train lattice loss: 0.380153 coord loss: 0.483120 + +epoch 380 +train lattice loss: 0.378028 coord loss: 0.480485 +val lattice loss: 0.453728 coord loss: 0.533402 +save model with optimal loss + +epoch 381 +train lattice loss: 0.379591 coord loss: 0.482233 + +epoch 382 +train lattice loss: 0.378465 coord loss: 0.477606 + +epoch 383 +train lattice loss: 0.375585 coord loss: 0.480874 + +epoch 384 +train lattice loss: 0.382280 coord loss: 0.484744 + +epoch 385 +train lattice loss: 0.377232 coord loss: 0.480694 + +epoch 386 +train lattice loss: 0.375268 coord loss: 0.478454 + +epoch 387 +train lattice loss: 0.378648 coord loss: 0.485018 + +epoch 388 +train lattice loss: 0.374635 coord loss: 0.483254 + +epoch 389 +train lattice loss: 0.376298 coord loss: 0.482646 + +epoch 390 +train lattice loss: 0.377667 coord loss: 0.482215 +val lattice loss: 0.459066 coord loss: 0.544302 + +epoch 391 +train lattice loss: 0.380021 coord loss: 0.479904 + +epoch 392 +train lattice loss: 0.380167 coord loss: 0.475291 + +epoch 393 +train lattice loss: 0.379652 coord loss: 0.482825 + +epoch 394 +train lattice loss: 0.376447 coord loss: 0.480789 + +epoch 395 +train lattice loss: 0.376810 coord loss: 0.479848 + +epoch 396 +train lattice loss: 0.375327 coord loss: 0.483659 + +epoch 397 +train lattice loss: 0.382233 coord loss: 0.473681 + +epoch 398 +train lattice loss: 0.373560 coord loss: 0.477880 + +epoch 399 +train lattice loss: 0.375552 coord loss: 0.480263 + +epoch 400 +train lattice loss: 0.379540 coord loss: 0.481196 +val lattice loss: 0.452697 coord loss: 0.546208 + +epoch 401 +train lattice loss: 0.374817 coord loss: 0.473182 + +epoch 402 +train lattice loss: 0.376756 coord loss: 0.478600 + +epoch 403 +train lattice loss: 0.375517 coord loss: 0.482997 + +epoch 404 +train lattice loss: 0.377716 coord loss: 0.478449 + +epoch 405 +train lattice loss: 0.376406 coord loss: 0.483540 + +epoch 406 +train lattice loss: 0.373092 coord loss: 0.479025 + +epoch 407 +train lattice loss: 0.374850 coord loss: 0.473348 + +epoch 408 +train lattice loss: 0.377053 coord loss: 0.472699 + +epoch 409 +train lattice loss: 0.375529 coord loss: 0.472781 + +epoch 410 +train lattice loss: 0.374199 coord loss: 0.483704 +val lattice loss: 0.464532 coord loss: 0.540336 + +epoch 411 +train lattice loss: 0.373374 coord loss: 0.481518 + +epoch 412 +train lattice loss: 0.377054 coord loss: 0.476282 + +epoch 413 +train lattice loss: 0.377611 coord loss: 0.479102 + +epoch 414 +train lattice loss: 0.376141 coord loss: 0.474051 + +epoch 415 +train lattice loss: 0.375276 coord loss: 0.475240 + +epoch 416 +train lattice loss: 0.376256 coord loss: 0.480782 + +epoch 417 +train lattice loss: 0.377837 coord loss: 0.475515 + +epoch 418 +train lattice loss: 0.374576 coord loss: 0.474601 + +epoch 419 +train lattice loss: 0.373160 coord loss: 0.477511 + +epoch 420 +train lattice loss: 0.373297 coord loss: 0.478479 +val lattice loss: 0.461533 coord loss: 0.535230 + +epoch 421 +train lattice loss: 0.376632 coord loss: 0.477622 + +epoch 422 +train lattice loss: 0.375310 coord loss: 0.477090 + +epoch 423 +train lattice loss: 0.380783 coord loss: 0.478036 + +epoch 424 +train lattice loss: 0.374682 coord loss: 0.472516 + +epoch 425 +train lattice loss: 0.374257 coord loss: 0.478696 + +epoch 426 +train lattice loss: 0.373506 coord loss: 0.473942 + +epoch 427 +train lattice loss: 0.375137 coord loss: 0.473816 + +epoch 428 +train lattice loss: 0.378173 coord loss: 0.475382 + +epoch 429 +train lattice loss: 0.377255 coord loss: 0.474991 + +epoch 430 +train lattice loss: 0.374357 coord loss: 0.477399 +val lattice loss: 0.461508 coord loss: 0.547835 + +epoch 431 +train lattice loss: 0.375326 coord loss: 0.481581 + +epoch 432 +train lattice loss: 0.374429 coord loss: 0.477258 + +epoch 433 +train lattice loss: 0.376361 coord loss: 0.469830 + +epoch 434 +train lattice loss: 0.375454 coord loss: 0.479696 + +epoch 435 +train lattice loss: 0.374643 coord loss: 0.467975 + +epoch 436 +train lattice loss: 0.378561 coord loss: 0.472538 + +epoch 437 +train lattice loss: 0.375460 coord loss: 0.478743 + +epoch 438 +train lattice loss: 0.377243 coord loss: 0.474043 + +epoch 439 +train lattice loss: 0.373502 coord loss: 0.470836 + +epoch 440 +train lattice loss: 0.377030 coord loss: 0.469810 +val lattice loss: 0.465524 coord loss: 0.553552 + +epoch 441 +train lattice loss: 0.373588 coord loss: 0.472358 + +epoch 442 +train lattice loss: 0.372840 coord loss: 0.477967 + +epoch 443 +train lattice loss: 0.375706 coord loss: 0.472221 + +epoch 444 +train lattice loss: 0.375375 coord loss: 0.472496 + +epoch 445 +train lattice loss: 0.377034 coord loss: 0.471104 + +epoch 446 +train lattice loss: 0.372992 coord loss: 0.473960 + +epoch 447 +train lattice loss: 0.376307 coord loss: 0.467453 + +epoch 448 +train lattice loss: 0.378417 coord loss: 0.470663 + +epoch 449 +train lattice loss: 0.373684 coord loss: 0.474064 + +epoch 450 +train lattice loss: 0.371100 coord loss: 0.472246 +val lattice loss: 0.462823 coord loss: 0.553333 + +epoch 451 +train lattice loss: 0.373449 coord loss: 0.472622 + +epoch 452 +train lattice loss: 0.377855 coord loss: 0.470269 + +epoch 453 +train lattice loss: 0.371510 coord loss: 0.472635 + +epoch 454 +train lattice loss: 0.378052 coord loss: 0.471216 + +epoch 455 +train lattice loss: 0.374776 coord loss: 0.473506 + +epoch 456 +train lattice loss: 0.372935 coord loss: 0.474324 + +epoch 457 +train lattice loss: 0.375958 coord loss: 0.473001 + +epoch 458 +train lattice loss: 0.371513 coord loss: 0.471574 + +epoch 459 +train lattice loss: 0.373826 coord loss: 0.471711 + +epoch 460 +train lattice loss: 0.372564 coord loss: 0.469874 +val lattice loss: 0.463650 coord loss: 0.543082 + +epoch 461 +train lattice loss: 0.372798 coord loss: 0.464113 + +epoch 462 +train lattice loss: 0.373216 coord loss: 0.475660 + +epoch 463 +train lattice loss: 0.372091 coord loss: 0.471055 + +epoch 464 +train lattice loss: 0.372753 coord loss: 0.467085 + +epoch 465 +train lattice loss: 0.373161 coord loss: 0.472102 + +epoch 466 +train lattice loss: 0.370549 coord loss: 0.470825 + +epoch 467 +train lattice loss: 0.370860 coord loss: 0.472787 + +epoch 468 +train lattice loss: 0.374660 coord loss: 0.476577 + +epoch 469 +train lattice loss: 0.371857 coord loss: 0.472698 + +epoch 470 +train lattice loss: 0.372241 coord loss: 0.472354 +val lattice loss: 0.454562 coord loss: 0.540398 + +epoch 471 +train lattice loss: 0.374230 coord loss: 0.472321 + +epoch 472 +train lattice loss: 0.372533 coord loss: 0.475198 + +epoch 473 +train lattice loss: 0.371233 coord loss: 0.469562 + +epoch 474 +train lattice loss: 0.371380 coord loss: 0.472319 + +epoch 475 +train lattice loss: 0.371997 coord loss: 0.474004 + +epoch 476 +train lattice loss: 0.374297 coord loss: 0.471048 + +epoch 477 +train lattice loss: 0.372894 coord loss: 0.470170 + +epoch 478 +train lattice loss: 0.375196 coord loss: 0.463701 + +epoch 479 +train lattice loss: 0.371033 coord loss: 0.469819 + +epoch 480 +train lattice loss: 0.373712 coord loss: 0.470980 +val lattice loss: 0.451838 coord loss: 0.536959 + +epoch 481 +train lattice loss: 0.371538 coord loss: 0.476236 + +epoch 482 +train lattice loss: 0.370192 coord loss: 0.470926 + +epoch 483 +train lattice loss: 0.373586 coord loss: 0.471850 + +epoch 484 +train lattice loss: 0.374082 coord loss: 0.469607 + +epoch 485 +train lattice loss: 0.372607 coord loss: 0.469036 + +epoch 486 +train lattice loss: 0.375977 coord loss: 0.470619 + +epoch 487 +train lattice loss: 0.371881 coord loss: 0.473446 + +epoch 488 +train lattice loss: 0.370468 coord loss: 0.465617 + +epoch 489 +train lattice loss: 0.370962 coord loss: 0.468224 + +epoch 490 +train lattice loss: 0.369930 coord loss: 0.470812 +val lattice loss: 0.470577 coord loss: 0.534369 + +epoch 491 +train lattice loss: 0.369984 coord loss: 0.466986 + +epoch 492 +train lattice loss: 0.374268 coord loss: 0.469041 + +epoch 493 +train lattice loss: 0.372945 coord loss: 0.467170 + +epoch 494 +train lattice loss: 0.370681 coord loss: 0.464855 + +epoch 495 +train lattice loss: 0.372123 coord loss: 0.465152 + +epoch 496 +train lattice loss: 0.370683 coord loss: 0.470916 + +epoch 497 +train lattice loss: 0.371777 coord loss: 0.464822 + +epoch 498 +train lattice loss: 0.374330 coord loss: 0.472456 + +epoch 499 +train lattice loss: 0.374665 coord loss: 0.467312 + +epoch 500 +train lattice loss: 0.368792 coord loss: 0.464869 +val lattice loss: 0.459801 coord loss: 0.542969 + + +save model in the last epoch + +Loading ... +batch 0 / 16, sample 0 / 1 + 0%| | 0/1000 [00:00