4.6. TensorBoard Usage

TensorBoard provides the visualization and tooling needed for machine learning experimentation. Full instructions for TensorBoard can be found here.

4.6.1. Highlighted features

DeePMD-kit can now use most of the interesting features enabled by TensorBoard!

  • Tracking and visualizing metrics, such as l2_loss, l2_energy_loss and l2_force_loss

  • Visualizing the model graph (ops and layers)

  • Viewing histograms of weights, biases, or other tensors as they change over time.

  • Viewing summaries of trainable variables

4.6.2. How to use Tensorboard with DeePMD-kit

Before running TensorBoard, make sure you have generated summary data in a log directory by modifying the input script, setting tensorboard to true in the training subsection will enable the TensorBoard data analysis. eg. water_se_a.json.

    "training" : {
	"systems":	["../data/"],
	"set_prefix":	"set",
	"stop_batch":	1000000,
	"batch_size":	1,

	"seed":		1,

	"_comment": " display and restart",
	"_comment": " frequencies counted in batch",
	"disp_file":	"lcurve.out",
	"disp_freq":	100,
	"numb_test":	10,
	"save_freq":	1000,
	"save_ckpt":	"model.ckpt",

	"tensorboard":	true,
	"tensorboard_freq": 1000,
	"profiling":	false,
	"_comment":	"that's all"

Once you have event files, run TensorBoard and provide the log directory. This should print that TensorBoard has started. Next, connect to http://tensorboard_server_ip:6006.

TensorBoard requires a logdir to read logs from. For info on configuring TensorBoard, run TensorBoard –help. One can easily change the log name with “tensorboard_log_dir” and the sampling frequency with “tensorboard_freq”.

tensorboard --logdir path/to/logs

4.6.3. Examples Tracking and visualizing loss metrics(red:train, blue:test)

l2 loss

l2 energy loss

l2 force loss Visualizing DeePMD-kit model graph

DeePMD-kit graph Viewing histograms of weights, biases, or other tensors as they change over time

DeePMD-kit histograms

DeePMD-kit distribution Viewing summaries of trainable variables

DeePMD-kit scalar

4.6.4. Attention

Allowing the tensorboard analysis will takes extra execution time.(eg, 15% increasing @Nvidia GTX 1080Ti double precision with default water sample)

TensorBoard can be used in Google Chrome or Firefox. Other browsers might work, but there may be bugs or performance issues.