mlff_attack
Adversarial attacks on Machine Learning Force Fields
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Attacks Overview
FGSM
I-FGSM
PGD
Examples
Basic FGSM Attack
PGD Attack with Multiple Steps
Using the Class-Based API
Targeted Energy Attack
Tracking Attack Progress
Visualizing Perturbations
Saving and Loading Perturbations
Complete Workflow Example
Batch Processing Multiple Structures
Using CLI Commands
API Reference
Package Overview
Core Modules
Gradient-Based Attacks
Command Line Interface
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Index
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A
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C
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D
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F
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M
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_
__init__() (mlff_attack.grad_based.fgsm.FGSM_MACE method)
(mlff_attack.grad_based.mlff_attack_class.MLFFAttack method)
(mlff_attack.grad_based.pgd.PGD_MACE method)
A
attack() (mlff_attack.grad_based.fgsm.FGSM_MACE method)
(mlff_attack.grad_based.mlff_attack_class.MLFFAttack method)
(mlff_attack.grad_based.pgd.PGD_MACE method)
attack_history (mlff_attack.grad_based.mlff_attack_class.MLFFAttack attribute)
attack_step() (mlff_attack.grad_based.fgsm.FGSM_MACE method)
(mlff_attack.grad_based.mlff_attack_class.MLFFAttack method)
(mlff_attack.grad_based.pgd.PGD_MACE method)
C
calculate_noise_spectrum() (in module mlff_attack.visualization)
calculate_statistics() (in module mlff_attack.visualization)
compute_gradient() (mlff_attack.grad_based.fgsm.FGSM_MACE method)
(mlff_attack.grad_based.mlff_attack_class.MLFFAttack method)
(mlff_attack.grad_based.pgd.PGD_MACE method)
create_visualization() (in module mlff_attack.visualization)
D
device (mlff_attack.grad_based.fgsm.FGSM_MACE attribute)
(mlff_attack.grad_based.mlff_attack_class.MLFFAttack attribute)
E
epsilon (mlff_attack.grad_based.fgsm.FGSM_MACE attribute)
(mlff_attack.grad_based.mlff_attack_class.MLFFAttack attribute)
extract_trajectory_data() (in module mlff_attack.visualization)
F
FGSM_MACE (class in mlff_attack.grad_based.fgsm)
G
get_attack_summary() (mlff_attack.grad_based.fgsm.FGSM_MACE method)
get_optimizer_class() (in module mlff_attack.relaxation)
get_perturbation_stats() (mlff_attack.grad_based.mlff_attack_class.MLFFAttack method)
L
load_perturbation() (in module mlff_attack.attacks)
(mlff_attack.grad_based.mlff_attack_class.MLFFAttack method)
load_structure() (in module mlff_attack.relaxation)
load_trajectory() (in module mlff_attack.visualization)
M
main() (in module mlff_attack.cli.mace_calc_single)
(in module mlff_attack.cli.make_attack)
(in module mlff_attack.cli.visualize_traj)
make_attack() (in module mlff_attack.attacks)
mlff_attack.attacks
module
mlff_attack.cli
module
mlff_attack.cli.mace_calc_single
module
mlff_attack.cli.make_attack
module
mlff_attack.cli.visualize_traj
module
mlff_attack.grad_based
module
mlff_attack.grad_based.fgsm
module
mlff_attack.grad_based.mlff_attack_class
module
mlff_attack.grad_based.pgd
module
mlff_attack.relaxation
module
mlff_attack.visualization
module
MLFFAttack (class in mlff_attack.grad_based.mlff_attack_class)
model (mlff_attack.grad_based.fgsm.FGSM_MACE attribute)
(mlff_attack.grad_based.mlff_attack_class.MLFFAttack attribute)
module
mlff_attack.attacks
mlff_attack.cli
mlff_attack.cli.mace_calc_single
mlff_attack.cli.make_attack
mlff_attack.cli.visualize_traj
mlff_attack.grad_based
mlff_attack.grad_based.fgsm
mlff_attack.grad_based.mlff_attack_class
mlff_attack.grad_based.pgd
mlff_attack.relaxation
mlff_attack.visualization
P
parse_args() (in module mlff_attack.cli.make_attack)
PGD_MACE (class in mlff_attack.grad_based.pgd)
plot_energy() (in module mlff_attack.visualization)
plot_forces() (in module mlff_attack.visualization)
plot_noise() (in module mlff_attack.visualization)
plot_summary() (in module mlff_attack.visualization)
plot_volume() (in module mlff_attack.visualization)
R
reset() (mlff_attack.grad_based.mlff_attack_class.MLFFAttack method)
run_relaxation() (in module mlff_attack.relaxation)
S
save_perturbation() (in module mlff_attack.attacks)
(mlff_attack.grad_based.fgsm.FGSM_MACE method)
(mlff_attack.grad_based.mlff_attack_class.MLFFAttack method)
save_results() (in module mlff_attack.relaxation)
setup_calculator() (in module mlff_attack.relaxation)
T
target_energy (mlff_attack.grad_based.fgsm.FGSM_MACE attribute)
V
visualize_perturbation() (in module mlff_attack.attacks)