{
  "id": 99125,
  "title": "LOFO importance on Giba's features",
  "url": "/competitions/champs-scalar-coupling/discussion/99125",
  "author_name": "Yassine Alouini",
  "post_date": "2019-07-09T02:24:08.171000",
  "votes": 22,
  "comment_count": 21,
  "views": 0,
  "content": "<p>I have run the <a href=\"https://github.com/aerdem4/lofo-importance\"><strong>LOFO</strong></a> importance algorithm on Giba's features (one single run, 10% of the data, for all the bond types). \nHere is the importance plot:\n<img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-user-content/o/inbox%2F172860%2Fe6da3bfe5c2843a00a6f445008dd9230%2Flofo_giba_features.png?generation=1562638851783929&amp;alt=media\" alt=\"\"></p>\n\n<p>Based on this plot, here is the list of features to dismiss: </p>\n\n<p><code>\n['vander_F.x',\n 'atom_index_1.1',\n 'mean_molecule_atom_1_dist_xyz',\n 'adH4',\n 'mean_molecule_atom_0_dist_xyz',\n 'inv_distPE',\n 'coulomb_C.y',\n 'adC4',\n 'NC',\n 'yukawa_F.x',\n 'distN0',\n 'distC1',\n 'vander_C.y',\n 'coulomb_N.x']\n</code>\nIt might be better to do a run for each bond type?\nI am new to this technique and any comment is welcome. Thanks. 😸 </p>",
  "messages": [
    {
      "id": 570985,
      "postDate": "2019-07-09T02:24:08.170Z",
      "content": "<p>I have run the <a href=\"https://github.com/aerdem4/lofo-importance\"><strong>LOFO</strong></a> importance algorithm on Giba's features (one single run, 10% of the data, for all the bond types). \nHere is the importance plot:\n<img src=\"https://www.googleapis.com/download/storage/v1/b/kaggle-user-content/o/inbox%2F172860%2Fe6da3bfe5c2843a00a6f445008dd9230%2Flofo_giba_features.png?generation=1562638851783929&amp;alt=media\" alt=\"\"></p>\n\n<p>Based on this plot, here is the list of features to dismiss: </p>\n\n<p><code>\n['vander_F.x',\n 'atom_index_1.1',\n 'mean_molecule_atom_1_dist_xyz',\n 'adH4',\n 'mean_molecule_atom_0_dist_xyz',\n 'inv_distPE',\n 'coulomb_C.y',\n 'adC4',\n 'NC',\n 'yukawa_F.x',\n 'distN0',\n 'distC1',\n 'vander_C.y',\n 'coulomb_N.x']\n</code>\nIt might be better to do a run for each bond type?\nI am new to this technique and any comment is welcome. Thanks. 😸 </p>",
      "rawMarkdown": "I have run the [**LOFO**](https://github.com/aerdem4/lofo-importance) importance algorithm on Giba's features (one single run, 10% of the data, for all the bond types). \nHere is the importance plot:\n![](https://www.googleapis.com/download/storage/v1/b/kaggle-user-content/o/inbox%2F172860%2Fe6da3bfe5c2843a00a6f445008dd9230%2Flofo_giba_features.png?generation=1562638851783929&amp;alt=media)\n\nBased on this plot, here is the list of features to dismiss: \n\n```\n['vander_F.x',\n 'atom_index_1.1',\n 'mean_molecule_atom_1_dist_xyz',\n 'adH4',\n 'mean_molecule_atom_0_dist_xyz',\n 'inv_distPE',\n 'coulomb_C.y',\n 'adC4',\n 'NC',\n 'yukawa_F.x',\n 'distN0',\n 'distC1',\n 'vander_C.y',\n 'coulomb_N.x']\n```\nIt might be better to do a run for each bond type?\nI am new to this technique and any comment is welcome. Thanks. 😸 \n",
      "votes": 21
    },
    {
      "id": 571597,
      "postDate": "2019-07-09T19:50:15.303Z",
      "content": "<p>As promised, the LOFO importance plots per bond type. The notebook is coming soon. 👀 </p>",
      "rawMarkdown": "As promised, the LOFO importance plots per bond type. The notebook is coming soon. 👀 ",
      "votes": 8,
      "replies": [
        {
          "id": 571763,
          "postDate": "2019-07-10T04:25:47.053Z",
          "content": "<p>Looking at the error bars on 1JHN, I think it might be better to use 100% of the data rather than a 10% sample. Since there's only a small number of these, it should still be fairly quick to calculate</p>",
          "rawMarkdown": "Looking at the error bars on 1JHN, I think it might be better to use 100% of the data rather than a 10% sample. Since there's only a small number of these, it should still be fairly quick to calculate",
          "votes": 1
        },
        {
          "id": 571813,
          "postDate": "2019-07-10T05:41:57.963Z",
          "content": "<p>In this new experiment, I have used all the data for each bond type. Here is the link to the <a href=\"https://www.kaggle.com/yassinealouini/lofo-importance-on-giba-s-features?scriptVersionId=16970828\">notebook</a>, there is maybe a bug, please let me know if you spot any. </p>",
          "rawMarkdown": "In this new experiment, I have used all the data for each bond type. Here is the link to the [notebook](https://www.kaggle.com/yassinealouini/lofo-importance-on-giba-s-features?scriptVersionId=16970828), there is maybe a bug, please let me know if you spot any. \n",
          "votes": 1
        }
      ]
    },
    {
      "id": 571014,
      "postDate": "2019-07-09T03:56:23.127Z",
      "content": "<p>Features importance are different for each bond type. So yes, you must run for each bond separately.</p>",
      "rawMarkdown": "Features importance are different for each bond type. So yes, you must run for each bond separately.",
      "votes": 4,
      "replies": [
        {
          "id": 571070,
          "postDate": "2019-07-09T06:01:49.337Z",
          "content": "<p>That was my intuition as well. I will re-run it and post the new results once it is done. 👌 </p>",
          "rawMarkdown": "That was my intuition as well. I will re-run it and post the new results once it is done. 👌 ",
          "votes": 2
        }
      ]
    },
    {
      "id": 572036,
      "postDate": "2019-07-10T11:26:58.893Z",
      "content": "<p>I have noticed that running the same code (here and locally on my computer) gives different results.\nWhat options do I have to make these results more stable and robust? Maybe averaging over many runs with different seeds?\nAny help is welcome. :)</p>",
      "rawMarkdown": "I have noticed that running the same code (here and locally on my computer) gives different results.\nWhat options do I have to make these results more stable and robust? Maybe averaging over many runs with different seeds?\nAny help is welcome. :)",
      "votes": 1,
      "replies": [
        {
          "id": 572074,
          "postDate": "2019-07-10T12:18:55.067Z",
          "content": "<p><code>CV = KFold(n_splits=3, shuffle=True)</code></p>\n\n<p>try giving random_state as parameter.</p>\n\n<p>Also you can get better results if you provide a LGB model with Giba's parameters, because now it is using just a default model.</p>",
          "rawMarkdown": "`CV = KFold(n_splits=3, shuffle=True)`\n\ntry giving random_state as parameter.\n\nAlso you can get better results if you provide a LGB model with Giba's parameters, because now it is using just a default model."
        }
      ]
    },
    {
      "id": 571620,
      "postDate": "2019-07-09T20:50:02.913Z",
      "content": "<p>Thanks! Waiting for the kernel 👀 </p>",
      "rawMarkdown": "Thanks! Waiting for the kernel 👀 ",
      "votes": 1,
      "replies": [
        {
          "id": 572037,
          "postDate": "2019-07-10T11:27:43.353Z",
          "content": "<p>Here you go: <a href=\"https://www.kaggle.com/yassinealouini/lofo-importance-on-giba-s-features\">https://www.kaggle.com/yassinealouini/lofo-importance-on-giba-s-features</a>. Enjoy. :)</p>",
          "rawMarkdown": "Here you go: https://www.kaggle.com/yassinealouini/lofo-importance-on-giba-s-features. Enjoy. :)",
          "votes": 1
        }
      ]
    },
    {
      "id": 570989,
      "postDate": "2019-07-09T02:30:33.277Z",
      "content": "<p>Thank you so much <a href=\"/yassinealouini\">@yassinealouini</a> ! and yeah, I think it'd be better to run LOFO for each bond type 👍 </p>",
      "rawMarkdown": "Thank you so much @yassinealouini ! and yeah, I think it'd be better to run LOFO for each bond type 👍 ",
      "votes": 1
    },
    {
      "id": 571099,
      "postDate": "2019-07-09T06:55:26.090Z",
      "content": "<p>Thank you for this, I've been scratching my head for a while around how best to reduce my features. This would make a great kernel!</p>",
      "rawMarkdown": "Thank you for this, I've been scratching my head for a while around how best to reduce my features. This would make a great kernel!",
      "votes": 2,
      "replies": [
        {
          "id": 571188,
          "postDate": "2019-07-09T09:24:39.920Z",
          "content": "<p>I am planning to make a notebook before the end of the week. Let me know if you are faster. 🙃 </p>",
          "rawMarkdown": "I am planning to make a notebook before the end of the week. Let me know if you are faster. 🙃 ",
          "votes": 1
        }
      ]
    },
    {
      "id": 580797,
      "postDate": "2019-07-20T19:33:19.453Z",
      "content": "<p>Yassine</p>\n\n<p>Forked you kernel - with only minor change and learning to add my own data I got it to run.  </p>\n\n<p>Very nice work.</p>\n\n<p>Now - the key question - DO YOU BELIEVE the results?</p>",
      "rawMarkdown": "Yassine\n\nForked you kernel - with only minor change and learning to add my own data I got it to run.  \n\nVery nice work.\n\nNow - the key question - DO YOU BELIEVE the results?",
      "replies": [
        {
          "id": 580801,
          "postDate": "2019-07-20T19:38:16.150Z",
          "content": "<p>Someone believed and got 5th position on Microsoft Malware Competition:)\n<a href=\"https://github.com/khas-ccip/kaggle_malware_solution_khas_ccip/blob/1b1b41b22ceee3d70b81d07f4ac7a23100986493/prepare_data.py\">https://github.com/khas-ccip/kaggle_malware_solution_khas_ccip/blob/1b1b41b22ceee3d70b81d07f4ac7a23100986493/prepare_data.py</a></p>",
          "rawMarkdown": "Someone believed and got 5th position on Microsoft Malware Competition:)\nhttps://github.com/khas-ccip/kaggle_malware_solution_khas_ccip/blob/1b1b41b22ceee3d70b81d07f4ac7a23100986493/prepare_data.py",
          "votes": -1
        },
        {
          "id": 580854,
          "postDate": "2019-07-20T22:38:56.660Z",
          "content": "<p>Thanks - kind of looks like another believer got 10th place in a different competition.</p>",
          "rawMarkdown": "Thanks - kind of looks like another believer got 10th place in a different competition.",
          "votes": 1
        },
        {
          "id": 580988,
          "postDate": "2019-07-21T07:59:02.830Z",
          "content": "<p>In order to not mislead anyone: I don't use LOFO in this competition. I usually use it in structured data competitions.</p>",
          "rawMarkdown": "In order to not mislead anyone: I don't use LOFO in this competition. I usually use it in structured data competitions.",
          "votes": 2
        },
        {
          "id": 580992,
          "postDate": "2019-07-21T08:05:21.203Z",
          "content": "<p>Ahmet, I much prefer when you say what you use, rather than what you don't use ;)</p>",
          "rawMarkdown": "Ahmet, I much prefer when you say what you use, rather than what you don't use ;)",
          "votes": 3
        },
        {
          "id": 580993,
          "postDate": "2019-07-21T08:05:47.867Z",
          "content": "<p>I guess we will know about your features selection method after the end of this competition. Thanks for sharing this information and good luck. 👍 </p>",
          "rawMarkdown": "I guess we will know about your features selection method after the end of this competition. Thanks for sharing this information and good luck. 👍 ",
          "votes": 2
        },
        {
          "id": 581417,
          "postDate": "2019-07-21T23:19:59.300Z",
          "content": "<p>Thanks - it was rude of me to make that comment - Sry</p>",
          "rawMarkdown": "Thanks - it was rude of me to make that comment - Sry"
        }
      ]
    },
    {
      "id": 580825,
      "postDate": "2019-07-20T20:30:01.370Z",
      "rawMarkdown": "",
      "isDeleted": true
    },
    {
      "id": 572131,
      "postDate": "2019-07-10T14:01:32.063Z",
      "rawMarkdown": "",
      "isDeleted": true
    }
  ],
  "comments": [
    {
      "id": 571597,
      "author_name": "Yassine Alouini",
      "author_url": "",
      "post_date": "2019-07-09T19:50:15.303000",
      "content": "<p>As promised, the LOFO importance plots per bond type. The notebook is coming soon. 👀 </p>",
      "votes": 8,
      "replies": [
        {
          "id": 571763,
          "author_name": "datasaurus",
          "author_url": "",
          "post_date": "2019-07-10T04:25:47.053000",
          "content": "<p>Looking at the error bars on 1JHN, I think it might be better to use 100% of the data rather than a 10% sample. Since there's only a small number of these, it should still be fairly quick to calculate</p>",
          "votes": 1,
          "replies": []
        },
        {
          "id": 571813,
          "author_name": "Yassine Alouini",
          "author_url": "",
          "post_date": "2019-07-10T05:41:57.963000",
          "content": "<p>In this new experiment, I have used all the data for each bond type. Here is the link to the <a href=\"https://www.kaggle.com/yassinealouini/lofo-importance-on-giba-s-features?scriptVersionId=16970828\">notebook</a>, there is maybe a bug, please let me know if you spot any. </p>",
          "votes": 1,
          "replies": []
        }
      ]
    },
    {
      "id": 571014,
      "author_name": "Giba",
      "author_url": "",
      "post_date": "2019-07-09T03:56:23.127000",
      "content": "<p>Features importance are different for each bond type. So yes, you must run for each bond separately.</p>",
      "votes": 4,
      "replies": [
        {
          "id": 571070,
          "author_name": "Yassine Alouini",
          "author_url": "",
          "post_date": "2019-07-09T06:01:49.337000",
          "content": "<p>That was my intuition as well. I will re-run it and post the new results once it is done. 👌 </p>",
          "votes": 2,
          "replies": []
        }
      ]
    },
    {
      "id": 572036,
      "author_name": "Yassine Alouini",
      "author_url": "",
      "post_date": "2019-07-10T11:26:58.893000",
      "content": "<p>I have noticed that running the same code (here and locally on my computer) gives different results.\nWhat options do I have to make these results more stable and robust? Maybe averaging over many runs with different seeds?\nAny help is welcome. :)</p>",
      "votes": 1,
      "replies": [
        {
          "id": 572074,
          "author_name": "Ahmet Erdem",
          "author_url": "",
          "post_date": "2019-07-10T12:18:55.067000",
          "content": "<p><code>CV = KFold(n_splits=3, shuffle=True)</code></p>\n\n<p>try giving random_state as parameter.</p>\n\n<p>Also you can get better results if you provide a LGB model with Giba's parameters, because now it is using just a default model.</p>",
          "votes": 0,
          "replies": []
        }
      ]
    },
    {
      "id": 571620,
      "author_name": "silverstone",
      "author_url": "",
      "post_date": "2019-07-09T20:50:02.913000",
      "content": "<p>Thanks! Waiting for the kernel 👀 </p>",
      "votes": 1,
      "replies": [
        {
          "id": 572037,
          "author_name": "Yassine Alouini",
          "author_url": "",
          "post_date": "2019-07-10T11:27:43.353000",
          "content": "<p>Here you go: <a href=\"https://www.kaggle.com/yassinealouini/lofo-importance-on-giba-s-features\">https://www.kaggle.com/yassinealouini/lofo-importance-on-giba-s-features</a>. Enjoy. :)</p>",
          "votes": 1,
          "replies": []
        }
      ]
    },
    {
      "id": 570989,
      "author_name": "Nanashi",
      "author_url": "",
      "post_date": "2019-07-09T02:30:33.277000",
      "content": "<p>Thank you so much <a href=\"/yassinealouini\">@yassinealouini</a> ! and yeah, I think it'd be better to run LOFO for each bond type 👍 </p>",
      "votes": 1,
      "replies": []
    },
    {
      "id": 571099,
      "author_name": "datasaurus",
      "author_url": "",
      "post_date": "2019-07-09T06:55:26.090000",
      "content": "<p>Thank you for this, I've been scratching my head for a while around how best to reduce my features. This would make a great kernel!</p>",
      "votes": 2,
      "replies": [
        {
          "id": 571188,
          "author_name": "Yassine Alouini",
          "author_url": "",
          "post_date": "2019-07-09T09:24:39.920000",
          "content": "<p>I am planning to make a notebook before the end of the week. Let me know if you are faster. 🙃 </p>",
          "votes": 1,
          "replies": []
        }
      ]
    },
    {
      "id": 580797,
      "author_name": "PC Jimmmy",
      "author_url": "",
      "post_date": "2019-07-20T19:33:19.453000",
      "content": "<p>Yassine</p>\n\n<p>Forked you kernel - with only minor change and learning to add my own data I got it to run.  </p>\n\n<p>Very nice work.</p>\n\n<p>Now - the key question - DO YOU BELIEVE the results?</p>",
      "votes": 0,
      "replies": [
        {
          "id": 580801,
          "author_name": "Ahmet Erdem",
          "author_url": "",
          "post_date": "2019-07-20T19:38:16.150000",
          "content": "<p>Someone believed and got 5th position on Microsoft Malware Competition:)\n<a href=\"https://github.com/khas-ccip/kaggle_malware_solution_khas_ccip/blob/1b1b41b22ceee3d70b81d07f4ac7a23100986493/prepare_data.py\">https://github.com/khas-ccip/kaggle_malware_solution_khas_ccip/blob/1b1b41b22ceee3d70b81d07f4ac7a23100986493/prepare_data.py</a></p>",
          "votes": -1,
          "replies": []
        },
        {
          "id": 580854,
          "author_name": "PC Jimmmy",
          "author_url": "",
          "post_date": "2019-07-20T22:38:56.660000",
          "content": "<p>Thanks - kind of looks like another believer got 10th place in a different competition.</p>",
          "votes": 1,
          "replies": []
        },
        {
          "id": 580988,
          "author_name": "Ahmet Erdem",
          "author_url": "",
          "post_date": "2019-07-21T07:59:02.830000",
          "content": "<p>In order to not mislead anyone: I don't use LOFO in this competition. I usually use it in structured data competitions.</p>",
          "votes": 2,
          "replies": []
        },
        {
          "id": 580992,
          "author_name": "CPMP",
          "author_url": "",
          "post_date": "2019-07-21T08:05:21.203000",
          "content": "<p>Ahmet, I much prefer when you say what you use, rather than what you don't use ;)</p>",
          "votes": 3,
          "replies": []
        },
        {
          "id": 580993,
          "author_name": "Yassine Alouini",
          "author_url": "",
          "post_date": "2019-07-21T08:05:47.867000",
          "content": "<p>I guess we will know about your features selection method after the end of this competition. Thanks for sharing this information and good luck. 👍 </p>",
          "votes": 2,
          "replies": []
        },
        {
          "id": 581417,
          "author_name": "PC Jimmmy",
          "author_url": "",
          "post_date": "2019-07-21T23:19:59.300000",
          "content": "<p>Thanks - it was rude of me to make that comment - Sry</p>",
          "votes": 0,
          "replies": []
        }
      ]
    },
    {
      "id": 580825,
      "author_name": "",
      "author_url": "",
      "post_date": "2019-07-20T20:30:01.370000",
      "content": "",
      "votes": 0,
      "replies": []
    },
    {
      "id": 572131,
      "author_name": "",
      "author_url": "",
      "post_date": "2019-07-10T14:01:32.063000",
      "content": "",
      "votes": 0,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "570985": "I have run the [**LOFO**](https://github.com/aerdem4/lofo-importance) importance algorithm on Giba's features (one single run, 10% of the data, for all the bond types). \nHere is the importance plot:\n![](https://www.googleapis.com/download/storage/v1/b/kaggle-user-content/o/inbox%2F172860%2Fe6da3bfe5c2843a00a6f445008dd9230%2Flofo_giba_features.png?generation=1562638851783929&amp;alt=media)\n\nBased on this plot, here is the list of features to dismiss: \n\n```\n['vander_F.x',\n 'atom_index_1.1',\n 'mean_molecule_atom_1_dist_xyz',\n 'adH4',\n 'mean_molecule_atom_0_dist_xyz',\n 'inv_distPE',\n 'coulomb_C.y',\n 'adC4',\n 'NC',\n 'yukawa_F.x',\n 'distN0',\n 'distC1',\n 'vander_C.y',\n 'coulomb_N.x']\n```\nIt might be better to do a run for each bond type?\nI am new to this technique and any comment is welcome. Thanks. 😸 \n",
    "571597": "As promised, the LOFO importance plots per bond type. The notebook is coming soon. 👀 ",
    "571014": "Features importance are different for each bond type. So yes, you must run for each bond separately.",
    "572036": "I have noticed that running the same code (here and locally on my computer) gives different results.\nWhat options do I have to make these results more stable and robust? Maybe averaging over many runs with different seeds?\nAny help is welcome. :)",
    "571620": "Thanks! Waiting for the kernel 👀 ",
    "570989": "Thank you so much @yassinealouini ! and yeah, I think it'd be better to run LOFO for each bond type 👍 ",
    "571099": "Thank you for this, I've been scratching my head for a while around how best to reduce my features. This would make a great kernel!",
    "580797": "Yassine\n\nForked you kernel - with only minor change and learning to add my own data I got it to run.  \n\nVery nice work.\n\nNow - the key question - DO YOU BELIEVE the results?",
    "580825": "",
    "572131": ""
  }
}