File size: 3,957 Bytes
8101e64
 
 
e565352
8101e64
 
 
 
 
 
 
a0eb333
 
8101e64
 
 
6979c35
8101e64
3d4793e
 
 
 
 
6979c35
3d4793e
 
 
 
 
16af358
3d4793e
 
 
 
 
 
 
8101e64
ac78789
 
 
 
 
 
 
 
 
 
 
 
 
 
 
b2d7579
8101e64
 
e565352
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
---
language:
- en
license: llama3
tags:
- text-generation-inference
- transformers
- unsloth
- llama
- trl
base_model: unsloth/llama-3-8b-Instruct-bnb-4bit
datasets:
- zjunlp/Mol-Instructions
---

- **Developed by:** kevinkawchak
- **License:** llama3
- **Finetuned from model :** unsloth/llama-3-8b-Instruct-bnb-4bit
- **Finetuned using dataset :** zjunlp/Mol-Instructions, cc-by-4.0
- **Dataset identification:** Molecule-oriented Instructions
- **Dataset function:** Description guided molecule design

The following are modifications or improvements to original notebooks. Please refer to the authors' models for the published primary work.
[Cover Image](https://drive.google.com/file/d/1J-spZMzLlPxkqfMrPxvtMZiD2_hfcGyr/view?usp=sharing). [META LLAMA 3 COMMUNITY LICENSE AGREEMENT](https://llama.meta.com/llama3/license/). Built with Meta Llama 3.  <br>

A 4-bit quantization of Meta-Llama-3-8B-Instruct was used to reduce training memory requirements when fine-tuning on the zjunlp/Mol-Instructions dataset. (1-2) In addition, the minimum LoRA rank value was utilized to reduce the overall size of created models. In specific, the molecule-oriented instructions description guided molecule design was implemented to answer general questions and general biochemistry questions. General questions were answered with high accuracy, while biochemistry related questions returned 'SELFIES' structures but with limited accuracy. 

The notebook featured Torch and Hugging Face libraries using the Unsloth llama-3-8b-Instruct-bnb-4bit quantization model. Training loss decreased steadily from 1.97 to 0.73 over 60 steps. Additional testing regarding the appropriate level of compression or hyperparameter adjustments for accurate SELFIES chemical structures outputs is relevant, as shown in the GitHub notebook for research purposes (3). A 16-bit and reduced 4-bit size were uploaded to Hugging Face. (4-5)

Update 04/24: The number of training steps were increased to further decrease loss, while maintaining reduced memory requirements through quantization and reduced size through LoRA. This allowed for significantly improved responses to biochemistry related questions, and were saved at the following LLM Model sizes: [8.03B](https://huggingface.co/kevinkawchak/Meta-Llama-3-8B-Instruct-Molecule16), [4.65B](https://huggingface.co/kevinkawchak/Meta-Llama-3-8B-Instruct-Molecule04). [github](https://github.com/kevinkawchak/Medical-Quantum-Machine-Learning/blob/main/Code/Drug%20Discovery/Meta-Llama-3/Meta-Llama-3-8B-Instruct-Molecule.ipynb).

References:
1) unsloth: https://huggingface.co/unsloth/llama-3-8b-Instruct-bnb-4bit
2) zjunlp: https://huggingface.co/datasets/zjunlp/Mol-Instructions
3) github: https://github.com/kevinkawchak/Medical-Quantum-Machine-Learning/blob/main/Code/Drug%20Discovery/Meta-Llama-3/Meta-Llama-3-8B-Instruct-Mol.ipynb
4) hugging face: https://huggingface.co/kevinkawchak/Meta-Llama-3-8B-Instruct-LoRA-Mol16
5) hugging face: https://huggingface.co/kevinkawchak/Meta-Llama-3-8B-Instruct-LoRA-Mol04

@inproceedings{fang2023mol, <br>
  author       = {Yin Fang and<br>
                  Xiaozhuan Liang and<br>
                  Ningyu Zhang and<br>
                  Kangwei Liu and<br>
                  Rui Huang and<br>
                  Zhuo Chen and<br>
                  Xiaohui Fan and<br>
                  Huajun Chen},<br>
  title        = {Mol-Instructions: {A} Large-Scale Biomolecular Instruction Dataset<br>
                  for Large Language Models},<br>
  booktitle    = {{ICLR}},<br>
  publisher    = {OpenReview.net},<br>
  year         = {2024},<br>
  url          = {https://openreview.net/pdf?id=Tlsdsb6l9n}}<br>

This llama model was trained 2x faster with [Unsloth](https://github.com/unslothai/unsloth) and Huggingface's TRL library.

[<img src="https://raw.githubusercontent.com/unslothai/unsloth/main/images/unsloth%20made%20with%20love.png" width="200"/>](https://github.com/unslothai/unsloth)