用神经网络的反向传导原理模拟振动制作一个网络,让这个网络的结构与四甲基硅的结构相同。网络的收敛标准是单键两端的输出函数的差值的绝对值小于δ,
让δ等于0.5到1e-6的34个值。每个δ收敛199次取平均值。网络的输入等于原子序数/30.网络用一种只等值但并不耦合的方法运行,也就是共有17套独立的网络。
收集到的数据
c0si |
c0h2 |
c0h1 |
c0h0 |
c1si |
c1h5 |
c1h4 |
c1h3 |
c2si |
c2h6 |
c2h7 |
c2h8 |
c3si |
c3h9 |
c3h10 |
c3h11 |
迭代次数 |
δ |
耗时ms/次 |
耗时ms/199次 |
0.835655 |
0.838679 |
0.833371 |
0.832662 |
0.836242 |
0.83956 |
0.838843 |
0.833851 |
0.836194 |
0.839187 |
0.840844 |
0.836915 |
0.839616 |
0.837143 |
0.840839 |
0.839914 |
1 |
0.5 |
0.472362 |
110 |
0.841923 |
0.831103 |
0.830396 |
0.830275 |
0.839066 |
0.830209 |
0.825592 |
0.821593 |
0.84087 |
0.821726 |
0.827559 |
0.828609 |
0.842976 |
0.834711 |
0.829397 |
0.828059 |
1.507538 |
0.4 |
0.155779 |
31 |
0.86434 |
0.785728 |
0.793718 |
0.79038 |
0.858981 |
0.785458 |
0.787002 |
0.787494 |
0.861602 |
0.78268 |
0.787461 |
0.798358 |
0.858903 |
0.783886 |
0.790662 |
0.787949 |
14.73869 |
0.3 |
0.864322 |
172 |
0.876459 |
0.728286 |
0.735253 |
0.726365 |
0.880864 |
0.727327 |
0.726926 |
0.722291 |
0.87454 |
0.728521 |
0.730179 |
0.723856 |
0.881272 |
0.727568 |
0.731708 |
0.731611 |
35.40704 |
0.2 |
1.175879 |
234 |
0.895583 |
0.666444 |
0.671789 |
0.675441 |
0.894947 |
0.673145 |
0.672572 |
0.669025 |
0.891072 |
0.66724 |
0.66924 |
0.672854 |
0.894525 |
0.673381 |
0.670065 |
0.67138 |
67.65327 |
0.1 |
1.964824 |
391 |
0.902567 |
0.62086 |
0.618497 |
0.619798 |
0.905183 |
0.617007 |
0.623375 |
0.624577 |
0.904909 |
0.623275 |
0.62474 |
0.62143 |
0.906301 |
0.621181 |
0.623682 |
0.62301 |
166.6482 |
0.01 |
5.18593 |
1032 |
0.905731 |
0.613366 |
0.616569 |
0.623291 |
0.905163 |
0.617539 |
0.618944 |
0.619051 |
0.905055 |
0.616387 |
0.620007 |
0.619287 |
0.908122 |
0.616047 |
0.615409 |
0.617464 |
278.1457 |
0.001 |
8.095477 |
1611 |
0.908588 |
0.617192 |
0.616668 |
0.617116 |
0.908616 |
0.617793 |
0.616786 |
0.612506 |
0.906533 |
0.614031 |
0.610194 |
0.616682 |
0.906619 |
0.619116 |
0.622162 |
0.62095 |
286.7085 |
9.00E-04 |
8.100503 |
1627 |
0.909477 |
0.611791 |
0.620836 |
0.620368 |
0.908485 |
0.616047 |
0.615283 |
0.619479 |
0.909164 |
0.618382 |
0.61417 |
0.614048 |
0.908094 |
0.618118 |
0.619489 |
0.622579 |
294.9095 |
8.00E-04 |
8.095477 |
1626 |
0.90802 |
0.61865 |
0.617141 |
0.616228 |
0.908473 |
0.617303 |
0.614763 |
0.618868 |
0.907738 |
0.615106 |
0.616824 |
0.61991 |
0.906713 |
0.616671 |
0.615832 |
0.617261 |
301.3518 |
7.00E-04 |
8.165829 |
1625 |
0.905475 |
0.616084 |
0.619986 |
0.612752 |
0.909482 |
0.618228 |
0.617263 |
0.624813 |
0.906271 |
0.611089 |
0.614982 |
0.617299 |
0.905287 |
0.616584 |
0.61355 |
0.618221 |
306.6633 |
6.00E-04 |
8.281407 |
1648 |
0.904709 |
0.618546 |
0.615507 |
0.619756 |
0.908246 |
0.618596 |
0.617484 |
0.617053 |
0.907272 |
0.621116 |
0.61598 |
0.612838 |
0.909083 |
0.617553 |
0.619694 |
0.616952 |
314.6231 |
5.00E-04 |
8.798995 |
1751 |
0.908476 |
0.621508 |
0.618154 |
0.617717 |
0.907759 |
0.620372 |
0.619703 |
0.618956 |
0.906719 |
0.617847 |
0.616071 |
0.615885 |
0.908454 |
0.615038 |
0.615025 |
0.614204 |
326.7638 |
4.00E-04 |
8.643216 |
1720 |
0.904096 |
0.617583 |
0.618069 |
0.616114 |
0.908212 |
0.611906 |
0.616378 |
0.617533 |
0.908157 |
0.616504 |
0.616859 |
0.618559 |
0.907807 |
0.618246 |
0.617132 |
0.615607 |
345.0201 |
3.00E-04 |
9.19598 |
1830 |
0.906513 |
0.617191 |
0.62049 |
0.614578 |
0.905335 |
0.619494 |
0.617487 |
0.6178 |
0.905969 |
0.620606 |
0.613865 |
0.617216 |
0.903199 |
0.618624 |
0.618234 |
0.620438 |
363.7085 |
2.00E-04 |
9.592965 |
1909 |
0.909265 |
0.614903 |
0.61878 |
0.619813 |
0.90921 |
0.623267 |
0.624834 |
0.618033 |
0.907001 |
0.618409 |
0.620569 |
0.618886 |
0.909662 |
0.614834 |
0.621997 |
0.616784 |
404.1307 |
1.00E-04 |
10.76884 |
2143 |
0.901721 |
0.614867 |
0.620682 |
0.620847 |
0.904311 |
0.617585 |
0.616485 |
0.617527 |
0.904611 |
0.613601 |
0.617175 |
0.612657 |
0.904233 |
0.618918 |
0.614728 |
0.613725 |
400.3869 |
9.00E-05 |
10.53266 |
2096 |
0.90899 |
0.616149 |
0.613083 |
0.618597 |
0.903005 |
0.61718 |
0.619529 |
0.615484 |
0.910178 |
0.622098 |
0.618343 |
0.62168 |
0.90226 |
0.617338 |
0.617523 |
0.613987 |
405.8543 |
8.00E-05 |
10.68844 |
2127 |
0.90871 |
0.622477 |
0.615412 |
0.620735 |
0.903701 |
0.613465 |
0.615648 |
0.616796 |
0.903442 |
0.621284 |
0.623714 |
0.62084 |
0.906811 |
0.620842 |
0.616345 |
0.617244 |
413.3769 |
7.00E-05 |
10.92462 |
2174 |
0.903574 |
0.615482 |
0.618034 |
0.617704 |
0.910326 |
0.615384 |
0.618286 |
0.614485 |
0.903828 |
0.615298 |
0.619212 |
0.616509 |
0.903699 |
0.620582 |
0.616894 |
0.617331 |
421.0503 |
6.00E-05 |
11.08543 |
2206 |
0.907561 |
0.6169 |
0.617745 |
0.612548 |
0.90554 |
0.616732 |
0.619124 |
0.619146 |
0.90859 |
0.614705 |
0.618308 |
0.614524 |
0.902899 |
0.62004 |
0.616391 |
0.621631 |
437.1407 |
5.00E-05 |
11.62814 |
2314 |
0.91003 |
0.617163 |
0.620628 |
0.621542 |
0.902972 |
0.619588 |
0.612681 |
0.618229 |
0.906647 |
0.616026 |
0.619357 |
0.617082 |
0.902318 |
0.620143 |
0.616883 |
0.614879 |
447.7538 |
4.00E-05 |
11.78894 |
2346 |
0.909872 |
0.617208 |
0.615285 |
0.615381 |
0.904238 |
0.616982 |
0.618801 |
0.614718 |
0.904771 |
0.614818 |
0.622013 |
0.61881 |
0.908097 |
0.620084 |
0.623531 |
0.612679 |
461.8442 |
3.00E-05 |
12.18593 |
2425 |
0.907365 |
0.620364 |
0.618638 |
0.613494 |
0.905378 |
0.61932 |
0.614413 |
0.61729 |
0.907911 |
0.618506 |
0.615483 |
0.616188 |
0.906698 |
0.614113 |
0.61666 |
0.617185 |
476.8894 |
2.00E-05 |
12.57286 |
2502 |
0.904941 |
0.616181 |
0.617318 |
0.617411 |
0.911493 |
0.61697 |
0.618895 |
0.617409 |
0.905297 |
0.618531 |
0.619127 |
0.621738 |
0.905152 |
0.618263 |
0.612085 |
0.617707 |
513.1709 |
1.00E-05 |
13.51759 |
2690 |
0.907969 |
0.611784 |
0.619157 |
0.618516 |
0.907548 |
0.616996 |
0.62313 |
0.620573 |
0.907079 |
0.6157 |
0.616214 |
0.624612 |
0.90551 |
0.616419 |
0.618369 |
0.616148 |
525.3568 |
9.00E-06 |
13.83417 |
2769 |
0.906432 |
0.616523 |
0.619181 |
0.62278 |
0.909265 |
0.618434 |
0.614917 |
0.621058 |
0.908606 |
0.616944 |
0.624366 |
0.614498 |
0.908302 |
0.616486 |
0.616281 |
0.614327 |
539.9598 |
8.00E-06 |
14.1407 |
2814 |
0.909424 |
0.619663 |
0.615489 |
0.612704 |
0.907205 |
0.622941 |
0.621291 |
0.6165 |
0.903183 |
0.621769 |
0.617016 |
0.621189 |
0.90722 |
0.615302 |
0.617545 |
0.616658 |
539.7387 |
7.00E-06 |
14.69849 |
2925 |
0.907794 |
0.618838 |
0.621367 |
0.615282 |
0.907248 |
0.619055 |
0.617457 |
0.618953 |
0.909761 |
0.618293 |
0.620893 |
0.618192 |
0.907978 |
0.618057 |
0.617853 |
0.617021 |
545.9045 |
6.00E-06 |
14.38191 |
2862 |
0.907084 |
0.61792 |
0.615553 |
0.61934 |
0.909927 |
0.614286 |
0.622769 |
0.617058 |
0.909819 |
0.611709 |
0.6183 |
0.617866 |
0.908536 |
0.615493 |
0.618477 |
0.615896 |
558.3015 |
5.00E-06 |
14.8593 |
2957 |
0.906104 |
0.619957 |
0.614801 |
0.615464 |
0.907949 |
0.613981 |
0.618872 |
0.623357 |
0.904703 |
0.618123 |
0.618623 |
0.61463 |
0.907463 |
0.612226 |
0.612233 |
0.616482 |
564.3618 |
4.00E-06 |
14.85427 |
2972 |
0.907488 |
0.619772 |
0.619295 |
0.617351 |
0.906089 |
0.612728 |
0.615757 |
0.61834 |
0.903031 |
0.618863 |
0.623593 |
0.614841 |
0.902676 |
0.615056 |
0.616316 |
0.624118 |
573.6281 |
3.00E-06 |
15.24623 |
3034 |
0.909056 |
0.619789 |
0.615164 |
0.61776 |
0.908731 |
0.6197 |
0.61564 |
0.621011 |
0.904909 |
0.616781 |
0.617903 |
0.620109 |
0.907209 |
0.622057 |
0.616438 |
0.620346 |
611.3317 |
2.00E-06 |
16.19095 |
3222 |
0.906673 |
0.616523 |
0.617877 |
0.622168 |
0.909541 |
0.621985 |
0.612937 |
0.616358 |
0.905091 |
0.614499 |
0.616388 |
0.625131 |
0.907406 |
0.62483 |
0.615968 |
0.618341 |
629.3015 |
1.00E-06 |
16.9799 |
3394 |
0.907371 |
0.617498 |
0.617552 |
0.617865 |
0.907036 |
0.617715 |
0.617972 |
0.618017 |
0.906235 |
0.617156 |
0.619295 |
0.61842 |
0.906007 |
0.617952 |
0.616975 |
0.616973 |
498.3938 |
3.13E-05 |
13.20418 |
2630.105 |
统计相对稳定的1e-4到1e-6的区间的数据,
C-Si |
C-H |
C-H |
C-H |
|
C0 |
0.907371 |
0.617498 |
0.617552 |
0.617865 |
C1 |
0.907036 |
0.617715 |
0.617972 |
0.618017 |
C2 |
0.906235 |
0.617156 |
0.619295 |
0.61842 |
C3 |
0.906007 |
0.617952 |
0.616975 |
0.616973 |
0.906662 |
0.617782 |
可以明显的观察到只有C-Si键和C-H键两种键值,其中C-Si键值约为0.90662,C-H键的键值约为0.617782。这个现象很好的体现了一种结构上的对称性。