Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

The problem of structure quantity generated and loss function. #66

Open
JHWang1001 opened this issue Oct 18, 2024 · 0 comments
Open

The problem of structure quantity generated and loss function. #66

JHWang1001 opened this issue Oct 18, 2024 · 0 comments

Comments

@JHWang1001
Copy link

JHWang1001 commented Oct 18, 2024

Dear txie,

I train the pervo data use

python cdvae/run.py data=perov expname=perov model.predict_property=True
python scripts/evaluate.py --model_path MODEL_PATH --tasks  opt

I have some question:

train_loss_step 7.70267
train_kld_loss_step 32.16307
train_kld_loss_epoch 33.9217

These numbers look like I didn't get a good convergence results.
Does this mean that my training wasn't successful?
Can you give me some examples for reference?
Are they related to the number of structures generated?
I only got 356 structures after train pervo. Sometime, I use my own data, I only can get 11 structures. XD. Can I get more structures with more training step?@txie-93

Best wishes and looking forward to your reply
Jiahui Wang

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant