diff --git a/downloads-generation/models_class1/hyperparameters.yaml b/downloads-generation/models_class1/hyperparameters.yaml index 30b78fa22c370b316c989b32c59064ff8aed938c..7984d8822de137f69a07e2fcc260339b8984a71e 100644 --- a/downloads-generation/models_class1/hyperparameters.yaml +++ b/downloads-generation/models_class1/hyperparameters.yaml @@ -26,6 +26,7 @@ # One of "one-hot", "embedding", or "BLOSUM62". "peptide_amino_acid_encoding": "BLOSUM62", "use_embedding": false, # maintained for backward compatability +"embedding_output_dim": 8, # only used if using embedding "kmer_size": 15, ########################################## diff --git a/downloads-generation/models_class1_experiments1/GENERATE.sh b/downloads-generation/models_class1_experiments1/GENERATE.sh index 148bd15f360a2806f6dec92c122b102931fdc8e3..379a53f6dca9c9992e6abe5f36a261c8eeae2ab1 100755 --- a/downloads-generation/models_class1_experiments1/GENERATE.sh +++ b/downloads-generation/models_class1_experiments1/GENERATE.sh @@ -37,9 +37,9 @@ time mhcflurry-class1-train-allele-specific-models \ --alleles $ALLELES & # Model variations on qualitative + quantitative -for mod in 0local_noL1 0local 1local dense16 dense64 noL1 +for mod in 0local_noL1 0local 2local dense16 dense64 noL1 onehot embedding do - cp $SCRIPT_DIR/hyperparameters-${mod}.json . + cp $SCRIPT_DIR/hyperparameters-${mod}.yaml . mkdir models-${mod} time mhcflurry-class1-train-allele-specific-models \ --data "$(mhcflurry-downloads path data_curated)/curated_training_data.csv.bz2" \ diff --git a/downloads-generation/models_class1_experiments1/hyperparameters-embedding.yaml b/downloads-generation/models_class1_experiments1/hyperparameters-embedding.yaml new file mode 100644 index 0000000000000000000000000000000000000000..40062bd5193b7d12be8da902445d6c8e48ccf49f --- /dev/null +++ b/downloads-generation/models_class1_experiments1/hyperparameters-embedding.yaml @@ -0,0 +1,50 @@ +[{ +########################################## +# ENSEMBLE SIZE +########################################## +"n_models": 8, + +########################################## +# OPTIMIZATION +########################################## +"max_epochs": 500, +"patience": 10, +"early_stopping": true, +"validation_split": 0.2, + +########################################## +# RANDOM NEGATIVE PEPTIDES +########################################## +"random_negative_rate": 0.0, +"random_negative_constant": 25, +"random_negative_affinity_min": 20000.0, +"random_negative_affinity_max": 50000.0, + +########################################## +# PEPTIDE REPRESENTATION +########################################## +# One of "one-hot", "embedding", or "BLOSUM62". +"peptide_amino_acid_encoding": "embedding", +"use_embedding": true, # maintained for backward compatability +"embedding_output_dim": 8, # only used if using embedding +"kmer_size": 15, + +########################################## +# NEURAL NETWORK ARCHITECTURE +########################################## +"locally_connected_layers": [ + { + "filters": 8, + "activation": "tanh", + "kernel_size": 3 + } +], +"activation": "relu", +"output_activation": "sigmoid", +"layer_sizes": [ + 32 +], +"dense_layer_l1_regularization": 0.001, +"batch_normalization": false, +"dropout_probability": 0.0, +}] diff --git a/downloads-generation/models_class1_experiments1/hyperparameters-onehot.yaml b/downloads-generation/models_class1_experiments1/hyperparameters-onehot.yaml new file mode 100644 index 0000000000000000000000000000000000000000..1742093d1436027bd2441e070f9490f17773da33 --- /dev/null +++ b/downloads-generation/models_class1_experiments1/hyperparameters-onehot.yaml @@ -0,0 +1,49 @@ +[{ +########################################## +# ENSEMBLE SIZE +########################################## +"n_models": 8, + +########################################## +# OPTIMIZATION +########################################## +"max_epochs": 500, +"patience": 10, +"early_stopping": true, +"validation_split": 0.2, + +########################################## +# RANDOM NEGATIVE PEPTIDES +########################################## +"random_negative_rate": 0.0, +"random_negative_constant": 25, +"random_negative_affinity_min": 20000.0, +"random_negative_affinity_max": 50000.0, + +########################################## +# PEPTIDE REPRESENTATION +########################################## +# One of "one-hot", "embedding", or "BLOSUM62". +"peptide_amino_acid_encoding": "one-hot", +"use_embedding": false, # maintained for backward compatability +"kmer_size": 15, + +########################################## +# NEURAL NETWORK ARCHITECTURE +########################################## +"locally_connected_layers": [ + { + "filters": 8, + "activation": "tanh", + "kernel_size": 3 + } +], +"activation": "relu", +"output_activation": "sigmoid", +"layer_sizes": [ + 32 +], +"dense_layer_l1_regularization": 0.001, +"batch_normalization": false, +"dropout_probability": 0.0, +}]