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Hello,
I am trying to fit an ACE model to an amorphous covalent material. BFGS is the optimizer used, it works but the convergence is very slow. Is it possible to instruct BFGS / L-BFGS to take a l…
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Hi!
Would the developers consider adding an implementation of limited memory BFGS to the library? PyTorch offers one here: https://pytorch.org/docs/stable/optim.html?#torch.optim.LBFGS
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SciPy is trying to remove all Fortran code: see https://github.com/scipy/scipy/issues/18566
This repo looks like a young, but very nicely maintained and thoroughly tested implementation of the L-BF…
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I'd like to do step-wise updates with BFGS, but the tf.while_loop in bfgs.minimize() does not allow this.
Would it be possible to make BFGS compatible with tf.train.Optimizer?
Hoeze updated
5 years ago
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I am using wapiti with a small set of data. When training with the other three optimization algorithms, everything is fine, the resulting models tag well, when tested.
Training with l-bfgs optimizat…
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longdeMacBook-Pro openlam % lam-opt relax -i examples/data -m dp0529.pth
To get the best performance, it is recommended to adjust the number of threads by setting the environment variables OM…
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CalculateImpliedTimscales.py gives errors when running on Tutorial data. Digging into the code, the error stems from MSMLib.py class Reversible_MLE_Estimator. The logger at line 1238 in MSMLib.py thro…
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Hi,
Is there any way to retrieve the `hess_inv` (approximated inverse Hessian) after running the BFGS optimizer? In the original scipy's implementation, the matrix is stored in the return `OptimizeRe…
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**Describe the bug 🐞**
Changing the differentiation method in the [optimization example](https://docs.sciml.ai/ModelingToolkit/stable/examples/remake/#Optimizing-through-an-ODE-solve-and-re-creatin…