Spaces:
Sleeping
Sleeping
+ temp old streamlit
Browse files- differential_equations_streamlit_src/archive/gene_regulatory_ODE_system_read_from_pkl.py +76 -0
- differential_equations_streamlit_src/core/integrate.py +102 -0
- differential_equations_streamlit_src/core/metrics.py +188 -0
- differential_equations_streamlit_src/core/ode.py +46 -0
- differential_equations_streamlit_src/core/pinn.py +150 -0
- differential_equations_streamlit_src/core/shadowing.py +89 -0
- differential_equations_streamlit_src/gene_regulatory_ODE_system.py +627 -0
- differential_equations_streamlit_src/pages/1_Lotka-Volterra.py +78 -0
- differential_equations_streamlit_src/requirements.txt +5 -0
- differential_equations_streamlit_src/utils/__init__.py +6 -0
- differential_equations_streamlit_src/utils/compute_metrics.py +46 -0
- differential_equations_streamlit_src/utils/documentation.py +43 -0
- differential_equations_streamlit_src/utils/highlight_extreme_values_in_table.py +74 -0
- differential_equations_streamlit_src/utils/neural_ode_solver.py +105 -0
- differential_equations_streamlit_src/utils/plain_text_parameters.py +90 -0
- gitingest.sh +9 -0
differential_equations_streamlit_src/archive/gene_regulatory_ODE_system_read_from_pkl.py
ADDED
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import streamlit as st
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import numpy as np
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import matplotlib.pyplot as plt
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import pandas as pd
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# Load saved DataFrame from .pkl file
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@st.cache_data
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def load_data(path="data/013_DOP853_25radius_points171K_round3_float32.pkl"):
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return pd.read_pickle(path)
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| 11 |
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df = load_data()
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# Extract all unique parameter values
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alpha_list = sorted(df['alpha'].unique())
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gamma1_list = sorted(df['gamma1'].unique())
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gamma2_list = sorted(df['gamma2'].unique())
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# Sliders and explanation after the plot
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st.markdown("---")
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st.latex(r"""
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\begin{cases}
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\frac{dx}{dt} = \frac{K\,x^{1/\alpha}}{b^{1/\alpha} + x^{1/\alpha}} \;-\; \gamma_1\,x,\\[6pt]
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\frac{dy}{dt} = \frac{K\,y^{1/\alpha}}{b^{1/\alpha} + y^{1/\alpha}} \;-\; \gamma_2\,y.
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\end{cases}
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""")
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st.markdown("Select parameters to display the solution using solver DOP853.")
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# Selection widgets
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col1, col2, col3 = st.columns(3)
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with col1:
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alpha = st.selectbox("Alpha (α)", options=alpha_list, format_func=lambda a: f"{a:.0e}")
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with col2:
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gamma1 = st.slider("γ₁ (Gamma 1)", min_value=min(gamma1_list), max_value=max(gamma1_list),
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value=gamma1_list[0], step=gamma1_list[1] - gamma1_list[0])
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with col3:
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gamma2 = st.slider("γ₂ (Gamma 2)", min_value=min(gamma2_list), max_value=max(gamma2_list),
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value=gamma2_list[0], step=gamma2_list[1] - gamma2_list[0])
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# Filter data for selected parameters
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filtered_df = df[(df['alpha'] == alpha) & (df['gamma1'] == gamma1) & (df['gamma2'] == gamma2)]
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# Display the plot
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fig, ax = plt.subplots(figsize=(7, 5))
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ax.set_title(f"DOP853, α={alpha:.0e}, γ₁={gamma1}, γ₂={gamma2}", fontsize=11)
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ax.set_xlabel("x(t)", fontsize=9)
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ax.set_ylabel("y(t)", fontsize=9)
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ax.grid(True, linestyle='--', linewidth=0.5)
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ax.tick_params(labelsize=8)
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ax.set_xlim(0.5, 2.0)
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ax.set_ylim(0.5, 2.0)
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for _, row in filtered_df.iterrows():
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x0 = row['x0']
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y0 = row['y0']
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t = row['t']
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x = row['x']
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y = row['y']
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label_text = f"x₀={x0:.3f}, y₀={y0:.3f}"
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ax.plot(x, y, label=label_text, linewidth=1.5)
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skip = max(3, len(x) // 30)
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x_skip = x[::skip]
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y_skip = y[::skip]
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if len(x_skip) >= 2:
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dx = np.gradient(x_skip)
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dy = np.gradient(y_skip)
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ax.quiver(x_skip, y_skip, dx, dy, angles='xy', scale_units='xy', scale=2.5, width=0.003, alpha=0.5)
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ax.plot(x[0], y[0], marker='o', color='black', markersize=4)
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ax.plot(x[-1], y[-1], marker='x', color='red', markersize=4)
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ax.legend(fontsize=7, loc='best')
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st.pyplot(fig)
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# Display note
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st.markdown("**Note:** The start point of the trajectory is marked with a circle (●), and the end point with a cross (×).")
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st.markdown("Initial points (x₀, y₀) are placed on a circle with radius 0.01. There are 25 such initial points in total.")
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differential_equations_streamlit_src/core/integrate.py
ADDED
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import numpy as np
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from scipy.integrate import solve_ivp
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| 3 |
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| 4 |
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| 5 |
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# Constants for integration
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| 6 |
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DEFAULT_SOLVER_METHOD = 'DOP853'
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DEFAULT_TOLERANCE = 1e-9
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| 10 |
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class BaseSolver:
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"""
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Base class for ODE solvers.
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"""
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def solve(self, rhs, x0, t_eval):
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raise NotImplementedError("Subclasses must implement solve method")
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class SciPySolver(BaseSolver):
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"""
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Solver using scipy.integrate.solve_ivp
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"""
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def __init__(self, method=DEFAULT_SOLVER_METHOD, rtol=DEFAULT_TOLERANCE, atol=DEFAULT_TOLERANCE):
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self.method = method
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self.rtol = rtol
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| 25 |
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self.atol = atol
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| 27 |
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def solve(self, rhs, x0, t_eval):
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"""
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Solve ODE using scipy.integrate.solve_ivp
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| 30 |
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Args:
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rhs: Right-hand side function of the ODE system
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| 33 |
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x0: Initial conditions
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| 34 |
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t_eval: Time points to evaluate the solution
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| 35 |
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| 36 |
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Returns:
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| 37 |
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Tuple of (solution_successful, x_solution, y_solution)
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| 38 |
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"""
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| 39 |
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try:
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| 40 |
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sol = solve_ivp(rhs, (t_eval[0], t_eval[-1]), x0, method=self.method,
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| 41 |
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rtol=self.rtol, atol=self.atol, t_eval=t_eval)
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| 42 |
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if sol.success:
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| 43 |
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return True, sol.y[0], sol.y[1]
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| 44 |
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else:
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return False, None, None
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| 46 |
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except Exception:
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return False, None, None
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class NeuralFlowSolver(BaseSolver):
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"""
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Neural network solver that learns the vector field (x, y) -> (dx/dt, dy/dt)
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"""
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def __init__(self, model=None, epochs=2000, lr=1e-3):
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| 55 |
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self.model = model
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self.epochs = epochs
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self.lr = lr
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self.trained = False
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def train(self, rhs, x0, t_train, y_train):
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"""
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Train the neural network to learn the vector field
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Args:
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rhs: Right-hand side function of the ODE system (used for generating training data)
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x0: Initial conditions
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t_train: Time points for training
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y_train: Target values for training (derivatives)
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"""
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# This is a placeholder implementation - a real implementation would involve
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# training a neural network to approximate the vector field
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# For now, we'll just store the target data
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self.t_train = t_train
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self.y_train = y_train
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self.trained = True
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def solve(self, rhs, x0, t_eval):
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"""
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Solve ODE using the trained neural network
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| 80 |
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| 81 |
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Args:
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| 82 |
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rhs: Right-hand side function of the ODE system
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x0: Initial conditions
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| 84 |
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t_eval: Time points to evaluate the solution
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| 85 |
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| 86 |
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Returns:
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| 87 |
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Tuple of (solution_successful, x_solution, y_solution)
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"""
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| 89 |
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if not self.trained:
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raise ValueError("Model must be trained before solving")
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# This is a placeholder implementation
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# A real implementation would use the trained neural network to solve the ODE
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# For now, we'll fall back to scipy solver if model is not implemented
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try:
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sol = solve_ivp(rhs, (t_eval[0], t_eval[-1]), x0, method=DEFAULT_SOLVER_METHOD, t_eval=t_eval)
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if sol.success:
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return True, sol.y[0], sol.y[1]
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else:
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return False, None, None
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except Exception:
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return False, None, None
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differential_equations_streamlit_src/core/metrics.py
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|
| 1 |
+
import numpy as np
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| 2 |
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from scipy.integrate import solve_ivp
|
| 3 |
+
|
| 4 |
+
|
| 5 |
+
def compute_ftle_metrics(rhs, x0, y0, te, t_eval, x, y):
|
| 6 |
+
"""
|
| 7 |
+
Computes FTLE (Finite-Time Lyapunov Exponent) and related metrics.
|
| 8 |
+
|
| 9 |
+
Args:
|
| 10 |
+
rhs: Right-hand side function of the ODE system
|
| 11 |
+
x0, y0: Initial conditions
|
| 12 |
+
te: End time
|
| 13 |
+
t_eval: Time points array
|
| 14 |
+
x, y: Solution arrays from the main trajectory
|
| 15 |
+
|
| 16 |
+
Returns:
|
| 17 |
+
tuple: (ftle, final_d, ftle_r2) or (np.nan, np.nan, np.nan) if computation fails
|
| 18 |
+
"""
|
| 19 |
+
eps = 1e-6 * (1.0 + abs(x0) + abs(y0))
|
| 20 |
+
xp0, yp0 = x0 + eps, y0 + 0.5 * eps
|
| 21 |
+
try:
|
| 22 |
+
sol_p = solve_ivp(rhs, (0, te), (xp0, yp0), method='DOP853', t_eval=t_eval)
|
| 23 |
+
if sol_p.success:
|
| 24 |
+
xp, yp = sol_p.y
|
| 25 |
+
dist = np.sqrt((x - xp) ** 2 + (y - yp) ** 2)
|
| 26 |
+
dist = np.where(dist <= 0, 1e-12, dist)
|
| 27 |
+
final_d = float(dist[-1])
|
| 28 |
+
s_idx, e_idx = int(0.25 * len(t_eval)), int(0.75 * len(t_eval))
|
| 29 |
+
if e_idx > s_idx + 1:
|
| 30 |
+
d_slice = dist[s_idx:e_idx]
|
| 31 |
+
t_slice = t_eval[s_idx:e_idx]
|
| 32 |
+
d_slice = np.clip(d_slice, 1e-12, None)
|
| 33 |
+
ln_d = np.log(d_slice)
|
| 34 |
+
# linear fit and r2 diagnostics
|
| 35 |
+
slope, intercept = np.polyfit(t_slice, ln_d, 1)
|
| 36 |
+
ftle = float(slope)
|
| 37 |
+
resid = ln_d - (slope * t_slice + intercept)
|
| 38 |
+
ss_res = np.sum(resid ** 2)
|
| 39 |
+
ss_tot = np.sum((ln_d - np.mean(ln_d)) ** 2)
|
| 40 |
+
ftle_r2 = 1 - ss_res / ss_tot if ss_tot > 0 else np.nan
|
| 41 |
+
return ftle, final_d, ftle_r2
|
| 42 |
+
# Return NaN values if computation was unsuccessful
|
| 43 |
+
return np.nan, np.nan, np.nan
|
| 44 |
+
except Exception:
|
| 45 |
+
# Return NaN values in case of exception
|
| 46 |
+
return np.nan, np.nan, np.nan
|
| 47 |
+
|
| 48 |
+
|
| 49 |
+
def hurst_rs(ts):
|
| 50 |
+
"""
|
| 51 |
+
Compute the Hurst exponent using the Rescaled Range (R/S) method.
|
| 52 |
+
|
| 53 |
+
Args:
|
| 54 |
+
ts: Time series data
|
| 55 |
+
|
| 56 |
+
Returns:
|
| 57 |
+
float: Hurst exponent or np.nan if computation fails
|
| 58 |
+
"""
|
| 59 |
+
x = np.array(ts, dtype=float)
|
| 60 |
+
N = len(x)
|
| 61 |
+
if N < 20:
|
| 62 |
+
return np.nan
|
| 63 |
+
x = x - np.mean(x)
|
| 64 |
+
Y = np.cumsum(x)
|
| 65 |
+
R = np.zeros(N)
|
| 66 |
+
S = np.zeros(N)
|
| 67 |
+
for n in range(10, N // 2 + 1):
|
| 68 |
+
seg = x[:n]
|
| 69 |
+
Yseg = Y[:n]
|
| 70 |
+
Rn = np.max(Yseg) - np.min(Yseg)
|
| 71 |
+
Sn = np.std(seg, ddof=0)
|
| 72 |
+
if Sn > 0:
|
| 73 |
+
R[n - 1] = Rn
|
| 74 |
+
S[n - 1] = Sn
|
| 75 |
+
valid = (S > 0) & (R > 0)
|
| 76 |
+
if np.sum(valid) < 3:
|
| 77 |
+
return np.nan
|
| 78 |
+
rs = R[valid] / S[valid]
|
| 79 |
+
ns = np.arange(1, N + 1)[valid]
|
| 80 |
+
try:
|
| 81 |
+
H = np.polyfit(np.log(ns), np.log(rs), 1)[0]
|
| 82 |
+
except Exception:
|
| 83 |
+
H = np.nan
|
| 84 |
+
return float(H)
|
| 85 |
+
|
| 86 |
+
|
| 87 |
+
def curvature_radius_stats(x, y, t, max_radius=1e6, clip_inf=True):
|
| 88 |
+
"""
|
| 89 |
+
Compute robust curvature/radius statistics for a parametric curve (x(t), y(t)).
|
| 90 |
+
|
| 91 |
+
Args:
|
| 92 |
+
x, y: Coordinates of the curve
|
| 93 |
+
t: Parameter values
|
| 94 |
+
max_radius: Maximum radius to consider (values above are clipped)
|
| 95 |
+
clip_inf: Whether to clip infinite/very large radii
|
| 96 |
+
|
| 97 |
+
Returns:
|
| 98 |
+
dict: Dictionary containing various curvature statistics
|
| 99 |
+
"""
|
| 100 |
+
x_t = np.gradient(x, t)
|
| 101 |
+
y_t = np.gradient(y, t)
|
| 102 |
+
x_tt = np.gradient(x_t, t)
|
| 103 |
+
y_tt = np.gradient(y_t, t)
|
| 104 |
+
denom = (x_t ** 2 + y_t ** 2) ** 1.5
|
| 105 |
+
num = np.abs(x_t * y_tt - y_t * x_tt)
|
| 106 |
+
with np.errstate(divide='ignore', invalid='ignore'):
|
| 107 |
+
kappa = np.where(denom > 0, num / denom, np.nan)
|
| 108 |
+
radius = np.where(np.isfinite(kappa) & (kappa != 0), 1.0 / kappa, np.nan)
|
| 109 |
+
if clip_inf:
|
| 110 |
+
radius = np.where(radius > max_radius, np.nan, radius)
|
| 111 |
+
finite = np.isfinite(radius)
|
| 112 |
+
stats = {
|
| 113 |
+
"count_total": len(radius),
|
| 114 |
+
"count_finite": int(np.sum(finite)),
|
| 115 |
+
"frac_finite": float(np.sum(finite) / len(radius)),
|
| 116 |
+
"mean": float(np.nanmean(radius)) if np.isfinite(np.nanmean(radius)) else np.nan,
|
| 117 |
+
"median": float(np.nanmedian(radius)) if np.isfinite(np.nanmedian(radius)) else np.nan,
|
| 118 |
+
"p10": float(np.nanpercentile(radius, 10)) if np.isfinite(np.nanpercentile(radius, 10)) else np.nan,
|
| 119 |
+
"p90": float(np.nanpercentile(radius, 90)) if np.isfinite(np.nanpercentile(radius, 90)) else np.nan,
|
| 120 |
+
"std": float(np.nanstd(radius)) if np.isfinite(np.nanstd(radius)) else np.nan,
|
| 121 |
+
"radius_array": radius,
|
| 122 |
+
"kappa_array": (1.0 / radius) # may contain inf/nan for radius==0
|
| 123 |
+
}
|
| 124 |
+
return stats
|
| 125 |
+
|
| 126 |
+
|
| 127 |
+
def compute_path_length(x, y):
|
| 128 |
+
"""
|
| 129 |
+
Compute the total path length of a curve (x(t), y(t)).
|
| 130 |
+
|
| 131 |
+
Args:
|
| 132 |
+
x, y: Coordinates of the curve
|
| 133 |
+
|
| 134 |
+
Returns:
|
| 135 |
+
float: Total path length
|
| 136 |
+
"""
|
| 137 |
+
dx = np.diff(x)
|
| 138 |
+
dy = np.diff(y)
|
| 139 |
+
seg_lengths = np.sqrt(dx * dx + dy * dy)
|
| 140 |
+
return float(np.sum(seg_lengths))
|
| 141 |
+
|
| 142 |
+
|
| 143 |
+
# Constants for metrics computation
|
| 144 |
+
EPSILON = 1e-12
|
| 145 |
+
FTLE_START_FRAC = 0.25
|
| 146 |
+
FTLE_END_FRAC = 0.75
|
| 147 |
+
HURST_MIN_SIZE = 20
|
| 148 |
+
CURVATURE_RADIUS_MAX = 1e6
|
| 149 |
+
|
| 150 |
+
def compute_anomaly_score(ftle, path_len, max_kappa, ftle_r2, hurst=None):
|
| 151 |
+
"""
|
| 152 |
+
Compute an anomaly score combining multiple indicators.
|
| 153 |
+
|
| 154 |
+
Args:
|
| 155 |
+
ftle: Finite-Time Lyapunov Exponent
|
| 156 |
+
path_len: Path length
|
| 157 |
+
max_kappa: Maximum curvature
|
| 158 |
+
ftle_r2: R^2 of FTLE fit
|
| 159 |
+
hurst: Hurst exponent (optional)
|
| 160 |
+
|
| 161 |
+
Returns:
|
| 162 |
+
float: Anomaly score
|
| 163 |
+
"""
|
| 164 |
+
# Normalize inputs using robust z-scores (using median and IQR)
|
| 165 |
+
def robust_z_single(value, median, iqr):
|
| 166 |
+
if iqr == 0:
|
| 167 |
+
return 0.0
|
| 168 |
+
return (value - median) / iqr
|
| 169 |
+
|
| 170 |
+
# In a real implementation, we'd compute medians and IQRs from a dataset
|
| 171 |
+
# For now, we'll use placeholder normalization factors
|
| 172 |
+
ftle_norm = ftle # Would be normalized in practice
|
| 173 |
+
path_norm = path_len # Would be normalized in practice
|
| 174 |
+
kappa_norm = max_kappa # Would be normalized in practice
|
| 175 |
+
r2_norm = ftle_r2 # Would be normalized in practice
|
| 176 |
+
|
| 177 |
+
# Basic anomaly score combining multiple indicators
|
| 178 |
+
score = ftle_norm + path_norm + kappa_norm
|
| 179 |
+
|
| 180 |
+
# Penalize low reliability (low r2)
|
| 181 |
+
if not np.isnan(ftle_r2):
|
| 182 |
+
score -= r2_norm
|
| 183 |
+
|
| 184 |
+
# Include Hurst exponent if provided
|
| 185 |
+
if hurst is not None and not np.isnan(hurst):
|
| 186 |
+
score += hurst # Adjust weight as needed
|
| 187 |
+
|
| 188 |
+
return score
|
differential_equations_streamlit_src/core/ode.py
ADDED
|
@@ -0,0 +1,46 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
import numpy as np
|
| 2 |
+
|
| 3 |
+
|
| 4 |
+
def gene_regulatory_rhs(alpha_val, K_val, b_val, g1_val, g2_val):
|
| 5 |
+
"""
|
| 6 |
+
Create the right-hand side function for the gene regulatory ODE system.
|
| 7 |
+
|
| 8 |
+
The system is:
|
| 9 |
+
dx/dt = (K * x^(1/alpha))/(b^(1/alpha) + x^(1/alpha)) - gamma1 * x
|
| 10 |
+
dy/dt = (K * y^(1/alpha))/(b^(1/alpha) + y^(1/alpha)) - gamma2 * y
|
| 11 |
+
"""
|
| 12 |
+
def rhs(t, state):
|
| 13 |
+
x, y = state
|
| 14 |
+
n = 1.0 / alpha_val
|
| 15 |
+
if n > 1000:
|
| 16 |
+
# Handle very large n (approaching infinity) case
|
| 17 |
+
frac_x = K_val if x > b_val else 0.0
|
| 18 |
+
frac_y = K_val if y > b_val else 0.0
|
| 19 |
+
else:
|
| 20 |
+
x_pos, y_pos = max(x, 0.0), max(y, 0.0)
|
| 21 |
+
try:
|
| 22 |
+
pow_b = np.power(b_val, n)
|
| 23 |
+
pow_x = np.power(x_pos, n)
|
| 24 |
+
pow_y = np.power(y_pos, n)
|
| 25 |
+
frac_x = (K_val * pow_x) / (pow_b + pow_x) if np.isfinite(pow_x) else (K_val if x > b_val else 0.0)
|
| 26 |
+
frac_y = (K_val * pow_y) / (pow_b + pow_y) if np.isfinite(pow_y) else (K_val if y > b_val else 0.0)
|
| 27 |
+
except Exception:
|
| 28 |
+
frac_x, frac_y = (K_val if x > b_val else 0.0), (K_val if y > b_val else 0.0)
|
| 29 |
+
return [frac_x - g1_val * x, frac_y - g2_val * y]
|
| 30 |
+
|
| 31 |
+
return rhs
|
| 32 |
+
|
| 33 |
+
|
| 34 |
+
def lotka_volterra_rhs(a, b, k, m):
|
| 35 |
+
"""
|
| 36 |
+
Create the right-hand side function for the Lotka-Volterra ODE system.
|
| 37 |
+
|
| 38 |
+
The system is:
|
| 39 |
+
dx/dt = x * (a - b * y)
|
| 40 |
+
dy/dt = y * (k * b * x - m)
|
| 41 |
+
"""
|
| 42 |
+
def rhs(t, state):
|
| 43 |
+
x, y = state
|
| 44 |
+
return [x * (a - b * y), y * (k * b * x - m)]
|
| 45 |
+
|
| 46 |
+
return rhs
|
differential_equations_streamlit_src/core/pinn.py
ADDED
|
@@ -0,0 +1,150 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
import numpy as np
|
| 2 |
+
try:
|
| 3 |
+
import torch
|
| 4 |
+
import torch.nn as nn
|
| 5 |
+
import torch.optim as optim
|
| 6 |
+
TORCH_AVAILABLE = True
|
| 7 |
+
except ImportError:
|
| 8 |
+
TORCH_AVAILABLE = False
|
| 9 |
+
|
| 10 |
+
|
| 11 |
+
if TORCH_AVAILABLE:
|
| 12 |
+
class PhysicsInformedNeuralNetwork(nn.Module):
|
| 13 |
+
"""
|
| 14 |
+
Physics-Informed Neural Network (PINN) for learning the vector field of an ODE system.
|
| 15 |
+
Instead of learning the solution t -> (x(t), y(t)), this learns the vector field (x, y) -> (dx/dt, dy/dt).
|
| 16 |
+
"""
|
| 17 |
+
def __init__(self, hidden_size=64):
|
| 18 |
+
super().__init__()
|
| 19 |
+
self.net = nn.Sequential(
|
| 20 |
+
nn.Linear(2, hidden_size), # Input: (x, y)
|
| 21 |
+
nn.Tanh(),
|
| 22 |
+
nn.Linear(hidden_size, hidden_size),
|
| 23 |
+
nn.Tanh(),
|
| 24 |
+
nn.Linear(hidden_size, hidden_size),
|
| 25 |
+
nn.Tanh(),
|
| 26 |
+
nn.Linear(hidden_size, 2), # Output: (dx/dt, dy/dt)
|
| 27 |
+
)
|
| 28 |
+
|
| 29 |
+
def forward(self, xy):
|
| 30 |
+
"""
|
| 31 |
+
Forward pass: (x, y) -> (dx/dt, dy/dt)
|
| 32 |
+
"""
|
| 33 |
+
return self.net(xy)
|
| 34 |
+
|
| 35 |
+
|
| 36 |
+
def train_pinn(rhs_func, x0, y0, t_train, initial_conditions=None, epochs=2000, lr=1e-3):
|
| 37 |
+
"""
|
| 38 |
+
Train a PINN to learn the vector field of the ODE system.
|
| 39 |
+
|
| 40 |
+
Args:
|
| 41 |
+
rhs_func: Right-hand side function of the ODE system that returns [dx/dt, dy/dt]
|
| 42 |
+
x0, y0: Initial conditions
|
| 43 |
+
t_train: Time points for training
|
| 44 |
+
initial_conditions: Additional initial conditions for training (optional)
|
| 45 |
+
epochs: Number of training epochs
|
| 46 |
+
lr: Learning rate
|
| 47 |
+
|
| 48 |
+
Returns:
|
| 49 |
+
Trained PINN model
|
| 50 |
+
"""
|
| 51 |
+
# Generate training data by evaluating the known RHS function
|
| 52 |
+
# This simulates having access to the derivative values for training
|
| 53 |
+
xy_train = []
|
| 54 |
+
dydt_train = []
|
| 55 |
+
|
| 56 |
+
# For each initial condition and time point, generate training pairs
|
| 57 |
+
for t in t_train:
|
| 58 |
+
# For a PINN, we want to learn the general vector field function
|
| 59 |
+
# So we'll generate training points by evaluating the RHS at various (x,y) positions
|
| 60 |
+
# For simplicity, we'll use the actual solution points plus some variations
|
| 61 |
+
|
| 62 |
+
# Get the solution at time t using the original solver (this is for generating training data)
|
| 63 |
+
# In a real PINN, we'd rely more on the physics constraints rather than exact solution points
|
| 64 |
+
from scipy.integrate import solve_ivp
|
| 65 |
+
sol = solve_ivp(rhs_func, (0, t), [x0, y0], method='DOP853', t_eval=[t])
|
| 66 |
+
|
| 67 |
+
if sol.success and len(sol.y[0]) > 0:
|
| 68 |
+
x_t, y_t = sol.y[0][-1], sol.y[1][-1]
|
| 69 |
+
|
| 70 |
+
# Evaluate the RHS at this point to get the true derivatives
|
| 71 |
+
true_derivatives = rhs_func(None, [x_t, y_t])
|
| 72 |
+
|
| 73 |
+
# Add this as a training sample
|
| 74 |
+
xy_train.append([x_t, y_t])
|
| 75 |
+
dydt_train.append(true_derivatives)
|
| 76 |
+
|
| 77 |
+
# Convert to tensors
|
| 78 |
+
xy_tensor = torch.tensor(xy_train, dtype=torch.float32)
|
| 79 |
+
dydt_tensor = torch.tensor(dydt_train, dtype=torch.float32)
|
| 80 |
+
|
| 81 |
+
# Initialize model
|
| 82 |
+
model = PhysicsInformedNeuralNetwork()
|
| 83 |
+
optimizer = optim.Adam(model.parameters(), lr=lr)
|
| 84 |
+
loss_fn = nn.MSELoss()
|
| 85 |
+
|
| 86 |
+
# Training loop
|
| 87 |
+
for epoch in range(epochs):
|
| 88 |
+
optimizer.zero_grad()
|
| 89 |
+
|
| 90 |
+
# Predict derivatives
|
| 91 |
+
pred_dydt = model(xy_tensor)
|
| 92 |
+
|
| 93 |
+
# Compute loss
|
| 94 |
+
loss = loss_fn(pred_dydt, dydt_tensor)
|
| 95 |
+
|
| 96 |
+
# Backpropagate
|
| 97 |
+
loss.backward()
|
| 98 |
+
optimizer.step()
|
| 99 |
+
|
| 100 |
+
if epoch % 500 == 0:
|
| 101 |
+
print(f"Epoch {epoch}, Loss: {loss.item():.6f}")
|
| 102 |
+
|
| 103 |
+
return model
|
| 104 |
+
|
| 105 |
+
|
| 106 |
+
def predict_with_pinn(model, initial_condition, t_eval):
|
| 107 |
+
"""
|
| 108 |
+
Solve the ODE using the trained PINN by integrating the learned vector field.
|
| 109 |
+
|
| 110 |
+
Args:
|
| 111 |
+
model: Trained PINN model
|
| 112 |
+
initial_condition: Starting point [x0, y0]
|
| 113 |
+
t_eval: Time points to evaluate
|
| 114 |
+
|
| 115 |
+
Returns:
|
| 116 |
+
x_pred, y_pred arrays
|
| 117 |
+
"""
|
| 118 |
+
if model is None:
|
| 119 |
+
return None, None
|
| 120 |
+
|
| 121 |
+
# Use scipy integrator with the learned vector field
|
| 122 |
+
def learned_rhs(t, state):
|
| 123 |
+
with torch.no_grad():
|
| 124 |
+
state_tensor = torch.tensor(state, dtype=torch.float32).reshape(1, -1)
|
| 125 |
+
deriv_tensor = model(state_tensor)
|
| 126 |
+
derivatives = deriv_tensor.numpy().flatten()
|
| 127 |
+
return derivatives
|
| 128 |
+
|
| 129 |
+
from scipy.integrate import solve_ivp
|
| 130 |
+
sol = solve_ivp(learned_rhs, (t_eval[0], t_eval[-1]), initial_condition,
|
| 131 |
+
method='DOP853', t_eval=t_eval)
|
| 132 |
+
|
| 133 |
+
if sol.success:
|
| 134 |
+
return sol.y[0], sol.y[1]
|
| 135 |
+
else:
|
| 136 |
+
return None, None
|
| 137 |
+
else:
|
| 138 |
+
def train_pinn(rhs_func, x0, y0, t_train, initial_conditions=None, epochs=2000, lr=1e-3):
|
| 139 |
+
"""
|
| 140 |
+
Placeholder function when torch is not available
|
| 141 |
+
"""
|
| 142 |
+
print("PyTorch not available, skipping PINN training")
|
| 143 |
+
return None
|
| 144 |
+
|
| 145 |
+
|
| 146 |
+
def predict_with_pinn(model, initial_condition, t_eval):
|
| 147 |
+
"""
|
| 148 |
+
Placeholder function when torch is not available
|
| 149 |
+
"""
|
| 150 |
+
return None, None
|
differential_equations_streamlit_src/core/shadowing.py
ADDED
|
@@ -0,0 +1,89 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
import numpy as np
|
| 2 |
+
|
| 3 |
+
|
| 4 |
+
# Constants for shadowing analysis
|
| 5 |
+
SHADOWING_EPSILON_THRESHOLD = 1e-3
|
| 6 |
+
|
| 7 |
+
|
| 8 |
+
def compute_epsilon_t(distances):
|
| 9 |
+
"""
|
| 10 |
+
Compute epsilon(t) as the running maximum of distances.
|
| 11 |
+
|
| 12 |
+
Args:
|
| 13 |
+
distances: Array of distances between two trajectories at each time point
|
| 14 |
+
|
| 15 |
+
Returns:
|
| 16 |
+
Array representing epsilon(t) - the running maximum of distances
|
| 17 |
+
"""
|
| 18 |
+
return np.maximum.accumulate(distances)
|
| 19 |
+
|
| 20 |
+
|
| 21 |
+
def find_shadowing_breakdown_time(epsilon_t, t_eval, epsilon_threshold=SHADOWING_EPSILON_THRESHOLD):
|
| 22 |
+
"""
|
| 23 |
+
Find the shadowing breakdown time t* where epsilon(t) exceeds a threshold.
|
| 24 |
+
|
| 25 |
+
Args:
|
| 26 |
+
epsilon_t: Array of epsilon(t) values (running maximum of distances)
|
| 27 |
+
t_eval: Time points corresponding to epsilon(t) values
|
| 28 |
+
epsilon_threshold: Threshold above which shadowing is considered broken
|
| 29 |
+
|
| 30 |
+
Returns:
|
| 31 |
+
tuple: (shadowing_time, shadowing_length, shadowing_ratio)
|
| 32 |
+
shadowing_time: Time t* where epsilon(t) > epsilon_threshold (or None if never exceeded)
|
| 33 |
+
shadowing_length: Length of time where epsilon(t) <= epsilon_threshold
|
| 34 |
+
shadowing_ratio: Ratio of valid shadowing time to total time
|
| 35 |
+
"""
|
| 36 |
+
if len(epsilon_t) != len(t_eval):
|
| 37 |
+
raise ValueError("epsilon_t and t_eval must have the same length")
|
| 38 |
+
|
| 39 |
+
# Find the first time where epsilon(t) exceeds the threshold
|
| 40 |
+
exceed_indices = np.where(epsilon_t > epsilon_threshold)[0]
|
| 41 |
+
|
| 42 |
+
if len(exceed_indices) == 0:
|
| 43 |
+
# If threshold is never exceeded, shadowing holds for the entire duration
|
| 44 |
+
shadowing_time = None # Indicates no breakdown occurred
|
| 45 |
+
shadowing_length = t_eval[-1] - t_eval[0]
|
| 46 |
+
shadowing_ratio = 1.0
|
| 47 |
+
else:
|
| 48 |
+
# Take the first occurrence where threshold is exceeded
|
| 49 |
+
first_exceed_idx = exceed_indices[0]
|
| 50 |
+
shadowing_time = t_eval[first_exceed_idx]
|
| 51 |
+
shadowing_length = t_eval[first_exceed_idx] - t_eval[0]
|
| 52 |
+
shadowing_ratio = shadowing_length / (t_eval[-1] - t_eval[0])
|
| 53 |
+
|
| 54 |
+
return shadowing_time, shadowing_length, shadowing_ratio
|
| 55 |
+
|
| 56 |
+
|
| 57 |
+
def compute_shadowing_diagnostics(dop_solution, nn_solution, t_eval, epsilon_threshold=SHADOWING_EPSILON_THRESHOLD):
|
| 58 |
+
"""
|
| 59 |
+
Compute comprehensive shadowing diagnostics by comparing two solutions.
|
| 60 |
+
|
| 61 |
+
Args:
|
| 62 |
+
dop_solution: Dictionary with 'x' and 'y' arrays from DOP853 solver
|
| 63 |
+
nn_solution: Dictionary with 'x' and 'y' arrays from neural network solver
|
| 64 |
+
t_eval: Time points array
|
| 65 |
+
epsilon_threshold: Threshold for shadowing breakdown
|
| 66 |
+
|
| 67 |
+
Returns:
|
| 68 |
+
dict: Dictionary containing shadowing diagnostics
|
| 69 |
+
"""
|
| 70 |
+
# Calculate distance between DOP853 and NN solutions
|
| 71 |
+
dist = np.sqrt((dop_solution['x'] - nn_solution['x'])**2 + (dop_solution['y'] - nn_solution['y'])**2)
|
| 72 |
+
|
| 73 |
+
# Calculate epsilon(t) as the running maximum (sup norm)
|
| 74 |
+
epsilon_t = compute_epsilon_t(dist)
|
| 75 |
+
|
| 76 |
+
# Calculate shadowing breakdown diagnostics
|
| 77 |
+
shadowing_time, shadowing_length, shadowing_ratio = find_shadowing_breakdown_time(
|
| 78 |
+
epsilon_t, t_eval, epsilon_threshold
|
| 79 |
+
)
|
| 80 |
+
|
| 81 |
+
return {
|
| 82 |
+
'epsilon_t': epsilon_t,
|
| 83 |
+
'distances': dist,
|
| 84 |
+
'shadowing_time': shadowing_time,
|
| 85 |
+
'shadowing_length': shadowing_length,
|
| 86 |
+
'shadowing_ratio': shadowing_ratio,
|
| 87 |
+
'epsilon_threshold': epsilon_threshold,
|
| 88 |
+
'has_breakdown': shadowing_time is not None
|
| 89 |
+
}
|
differential_equations_streamlit_src/gene_regulatory_ODE_system.py
ADDED
|
@@ -0,0 +1,627 @@
|
|
|
|
|
|
|
|
|
|
|
|
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|
| 1 |
+
import streamlit as st
|
| 2 |
+
import numpy as np
|
| 3 |
+
import matplotlib.pyplot as plt
|
| 4 |
+
from matplotlib.lines import Line2D
|
| 5 |
+
import pandas as pd
|
| 6 |
+
|
| 7 |
+
from core.ode import gene_regulatory_rhs
|
| 8 |
+
from core.integrate import SciPySolver, NeuralFlowSolver
|
| 9 |
+
from core.metrics import compute_ftle_metrics, hurst_rs, curvature_radius_stats, compute_path_length, compute_anomaly_score
|
| 10 |
+
from core.shadowing import compute_shadowing_diagnostics
|
| 11 |
+
from core.pinn import train_pinn, predict_with_pinn
|
| 12 |
+
from utils.plain_text_parameters import parameters_to_text, text_to_parameters
|
| 13 |
+
from utils.highlight_extreme_values_in_table import highlight_extreme_values_in_table
|
| 14 |
+
import streamlit.components.v1 as components
|
| 15 |
+
|
| 16 |
+
# --------------------------------------------------
|
| 17 |
+
# Main Streamlit App for Gene Regulatory ODE System
|
| 18 |
+
# --------------------------------------------------
|
| 19 |
+
|
| 20 |
+
# Default parameter values
|
| 21 |
+
DEFAULTS = {
|
| 22 |
+
"alpha": 0.001,
|
| 23 |
+
"K": 1.0,
|
| 24 |
+
"b": 1.0,
|
| 25 |
+
"gamma1": 1.0,
|
| 26 |
+
"gamma2": 1.0,
|
| 27 |
+
"initial_radius": 0.01,
|
| 28 |
+
"num_points": 12,
|
| 29 |
+
"t_number": 100,
|
| 30 |
+
"t_train_end": 1.0,
|
| 31 |
+
"t_full_end": 3.0,
|
| 32 |
+
"circle_start_end": (0, 360),
|
| 33 |
+
}
|
| 34 |
+
|
| 35 |
+
# --- Sidebar: widgets ---
|
| 36 |
+
st.sidebar.header("Simulation Settings")
|
| 37 |
+
|
| 38 |
+
# Time / solver resolution
|
| 39 |
+
t_number = st.sidebar.slider("t_number", min_value=10, max_value=1000, step=10,
|
| 40 |
+
value=int(DEFAULTS["t_number"]))
|
| 41 |
+
t_train_end = st.sidebar.slider("Training interval end (t_train_end)", 0.1, 5.0, float(DEFAULTS["t_train_end"]), 0.1)
|
| 42 |
+
t_full_end = st.sidebar.slider("Full integration end (t_full_end)", t_train_end + 0.1, 10.0, float(DEFAULTS["t_full_end"]), 0.1)
|
| 43 |
+
|
| 44 |
+
alpha = st.sidebar.number_input("alpha (1/alpha exponent)", min_value=1e-9, max_value=10.0,
|
| 45 |
+
value=float(DEFAULTS["alpha"]), format="%g")
|
| 46 |
+
K = st.sidebar.slider("K", min_value=0.1, max_value=5.0, step=0.1,
|
| 47 |
+
value=float(DEFAULTS["K"]))
|
| 48 |
+
b = st.sidebar.number_input("b", min_value=0.0, max_value=10.0,
|
| 49 |
+
value=float(DEFAULTS["b"]), format="%g")
|
| 50 |
+
|
| 51 |
+
gamma1 = st.sidebar.number_input("gamma1", min_value=0.0, max_value=10.0,
|
| 52 |
+
value=float(DEFAULTS["gamma1"]), format="%g")
|
| 53 |
+
gamma2 = st.sidebar.number_input("gamma2", min_value=0.0, max_value=10.0,
|
| 54 |
+
value=float(DEFAULTS["gamma2"]), format="%g")
|
| 55 |
+
|
| 56 |
+
initial_radius = st.sidebar.number_input("Initial radius (R)", min_value=0.0, max_value=10.0,
|
| 57 |
+
value=float(DEFAULTS["initial_radius"]), format="%g")
|
| 58 |
+
num_points = st.sidebar.slider("Number of trajectories", min_value=3, max_value=50, step=1,
|
| 59 |
+
value=int(DEFAULTS["num_points"]))
|
| 60 |
+
|
| 61 |
+
circle_start_end = st.sidebar.slider("Sector on circle (degrees)", 0, 360,
|
| 62 |
+
tuple(map(int, DEFAULTS["circle_start_end"])), step=1)
|
| 63 |
+
|
| 64 |
+
# Add controllable center of the initial circle
|
| 65 |
+
center_x = st.sidebar.number_input("Center X (circle center)", value=float(b), format="%g")
|
| 66 |
+
center_y = st.sidebar.number_input("Center Y (circle center)", value=float(b), format="%g")
|
| 67 |
+
|
| 68 |
+
# Add solver selection
|
| 69 |
+
solver_type = st.sidebar.selectbox(
|
| 70 |
+
"Select Solver Type",
|
| 71 |
+
("SciPy DOP853", "PINN (Physics-Informed Neural Network)"),
|
| 72 |
+
index=0,
|
| 73 |
+
help="Choose the solver for the ODE system"
|
| 74 |
+
)
|
| 75 |
+
|
| 76 |
+
# --- Plain text area and two buttons ---
|
| 77 |
+
|
| 78 |
+
def collect_params_from_widgets():
|
| 79 |
+
cs, ce = circle_start_end
|
| 80 |
+
params = {
|
| 81 |
+
"t_number": int(t_number),
|
| 82 |
+
"t_train_end": float(t_train_end),
|
| 83 |
+
"t_full_end": float(t_full_end),
|
| 84 |
+
"alpha": float(alpha),
|
| 85 |
+
"K": float(K),
|
| 86 |
+
"b": float(b),
|
| 87 |
+
"gamma1": float(gamma1),
|
| 88 |
+
"gamma2": float(gamma2),
|
| 89 |
+
"initial_radius": float(initial_radius),
|
| 90 |
+
"num_points": int(num_points),
|
| 91 |
+
"circle_start": int(cs),
|
| 92 |
+
"circle_end": int(ce),
|
| 93 |
+
"center_x": float(center_x),
|
| 94 |
+
"center_y": float(center_y),
|
| 95 |
+
"solver_type": solver_type,
|
| 96 |
+
}
|
| 97 |
+
# Save only enabled checkboxes if available
|
| 98 |
+
if "enabled_checkboxes" in st.session_state:
|
| 99 |
+
enabled = st.session_state.enabled_checkboxes
|
| 100 |
+
if enabled:
|
| 101 |
+
params["enabled_idx"] = ",".join(map(str, enabled))
|
| 102 |
+
return params
|
| 103 |
+
|
| 104 |
+
if "params_text" not in st.session_state:
|
| 105 |
+
st.session_state.params_text = parameters_to_text(collect_params_from_widgets())
|
| 106 |
+
|
| 107 |
+
st.sidebar.markdown("**Parameters (plain text)**")
|
| 108 |
+
params_text = st.sidebar.text_area("Edit parameters here:", value=st.session_state.params_text, height=20, key="params_text")
|
| 109 |
+
|
| 110 |
+
# Callback: parse text and apply to widgets
|
| 111 |
+
def apply_text_to_sliders():
|
| 112 |
+
parsed = text_to_parameters(st.session_state.params_text)
|
| 113 |
+
if not parsed:
|
| 114 |
+
return
|
| 115 |
+
int_keys = {"t_number", "num_points", "circle_start", "circle_end"}
|
| 116 |
+
float_keys = {"t_train_end", "t_full_end", "alpha", "K", "b", "gamma1", "gamma2", "initial_radius", "center_x", "center_y"}
|
| 117 |
+
|
| 118 |
+
for key, val in parsed.items():
|
| 119 |
+
if key in int_keys:
|
| 120 |
+
try:
|
| 121 |
+
st.session_state[key] = int(val)
|
| 122 |
+
except Exception:
|
| 123 |
+
pass
|
| 124 |
+
elif key in float_keys:
|
| 125 |
+
try:
|
| 126 |
+
st.session_state[key] = float(val)
|
| 127 |
+
except Exception:
|
| 128 |
+
pass
|
| 129 |
+
elif key == "enabled_idx":
|
| 130 |
+
enabled_idx = [int(x) for x in str(val).split(",") if x.strip().isdigit()]
|
| 131 |
+
npts = int(parsed.get("num_points", st.session_state.get("num_points", num_points)))
|
| 132 |
+
enabled_idx = [i for i in enabled_idx if 0 <= i < npts]
|
| 133 |
+
st.session_state.enabled_checkboxes = enabled_idx
|
| 134 |
+
elif key == "solver_type":
|
| 135 |
+
st.session_state["solver_type"] = val
|
| 136 |
+
|
| 137 |
+
if "circle_start" in parsed or "circle_end" in parsed:
|
| 138 |
+
cs = int(parsed.get("circle_start", circle_start_end[0]))
|
| 139 |
+
ce = int(parsed.get("circle_end", circle_start_end[1]))
|
| 140 |
+
st.session_state.circle_start_end = (cs, ce)
|
| 141 |
+
|
| 142 |
+
if "num_points" in parsed:
|
| 143 |
+
npts = int(parsed["num_points"])
|
| 144 |
+
enabled = st.session_state.get("enabled_checkboxes", [])
|
| 145 |
+
st.session_state.enabled_checkboxes = [i for i in enabled if 0 <= i < npts]
|
| 146 |
+
|
| 147 |
+
st.session_state.params_text = parameters_to_text(collect_params_from_widgets())
|
| 148 |
+
|
| 149 |
+
# Callback: read widget values and put into text area
|
| 150 |
+
def read_sliders_to_text():
|
| 151 |
+
st.session_state.params_text = parameters_to_text(collect_params_from_widgets())
|
| 152 |
+
|
| 153 |
+
col_apply, col_read = st.sidebar.columns(2)
|
| 154 |
+
col_apply.button("Apply text → sliders", on_click=apply_text_to_sliders)
|
| 155 |
+
col_read.button("Read sliders → text", on_click=read_sliders_to_text)
|
| 156 |
+
|
| 157 |
+
# --- Build angle array ---
|
| 158 |
+
cs_val, ce_val = circle_start_end
|
| 159 |
+
span = (ce_val - cs_val) % 360
|
| 160 |
+
if np.isclose(span, 0.0):
|
| 161 |
+
angles = np.linspace(0, 2 * np.pi, num_points, endpoint=False)
|
| 162 |
+
else:
|
| 163 |
+
cs = cs_val % 360
|
| 164 |
+
ce = ce_val % 360
|
| 165 |
+
if ce >= cs:
|
| 166 |
+
degs = np.linspace(cs, ce, num_points, endpoint=False)
|
| 167 |
+
else:
|
| 168 |
+
span2 = (ce + 360) - cs
|
| 169 |
+
degs = (cs + np.linspace(0, span2, num_points, endpoint=False)) % 360
|
| 170 |
+
angles = np.deg2rad(degs)
|
| 171 |
+
|
| 172 |
+
# --- Prepare solver settings ---
|
| 173 |
+
alpha_val = float(alpha)
|
| 174 |
+
K_val = float(K)
|
| 175 |
+
b_val = float(b)
|
| 176 |
+
g1_val = float(gamma1)
|
| 177 |
+
g2_val = float(gamma2)
|
| 178 |
+
R_val = float(initial_radius)
|
| 179 |
+
|
| 180 |
+
tn = int(t_number)
|
| 181 |
+
tte = float(t_train_end)
|
| 182 |
+
tfe = float(t_full_end)
|
| 183 |
+
|
| 184 |
+
# --- Create initial conditions from parameters ---
|
| 185 |
+
initial_conditions = []
|
| 186 |
+
for angle in angles:
|
| 187 |
+
x0 = center_x + R_val * np.cos(angle)
|
| 188 |
+
y0 = center_y + R_val * np.sin(angle)
|
| 189 |
+
initial_conditions.append((x0, y0))
|
| 190 |
+
|
| 191 |
+
# --- Create ODE RHS function ---
|
| 192 |
+
rhs_func = gene_regulatory_rhs(alpha_val, K_val, b_val, g1_val, g2_val)
|
| 193 |
+
|
| 194 |
+
# --- Main computation ---
|
| 195 |
+
solutions, metrics = [], []
|
| 196 |
+
|
| 197 |
+
# Main loop: solve for each initial condition
|
| 198 |
+
for idx, (x0, y0) in enumerate(initial_conditions):
|
| 199 |
+
# Solve ODE on full interval [0, t_full_end]
|
| 200 |
+
t_eval_full = np.linspace(0, tfe, tn)
|
| 201 |
+
|
| 202 |
+
# Select and configure solver
|
| 203 |
+
if solver_type == "SciPy DOP853":
|
| 204 |
+
solver = SciPySolver(method='DOP853')
|
| 205 |
+
success, x_full, y_full = solver.solve(rhs_func, (x0, y0), t_eval_full)
|
| 206 |
+
else: # PINN
|
| 207 |
+
# For PINN, we need to train first on the full interval
|
| 208 |
+
solver = NeuralFlowSolver() # Placeholder - in reality, PINN would be handled differently
|
| 209 |
+
# For now, we'll use SciPy solver as fallback and note that PINN implementation is more complex
|
| 210 |
+
scipy_solver = SciPySolver(method='DOP853')
|
| 211 |
+
success, x_full, y_full = scipy_solver.solve(rhs_func, (x0, y0), t_eval_full)
|
| 212 |
+
|
| 213 |
+
# Train PINN separately if needed
|
| 214 |
+
try:
|
| 215 |
+
pinn_model = train_pinn(rhs_func, x0, y0, t_eval_full, epochs=1000)
|
| 216 |
+
pinn_x_full, pinn_y_full = predict_with_pinn(pinn_model, [x0, y0], t_eval_full)
|
| 217 |
+
except Exception as e:
|
| 218 |
+
st.warning(f"PINN training failed: {str(e)}, falling back to SciPy solver")
|
| 219 |
+
pinn_x_full, pinn_y_full = x_full, y_full
|
| 220 |
+
|
| 221 |
+
if not success or x_full is None or y_full is None:
|
| 222 |
+
# If primary solver failed, try alternative
|
| 223 |
+
scipy_solver = SciPySolver(method='RK45')
|
| 224 |
+
success, x_full, y_full = scipy_solver.solve(rhs_func, (x0, y0), t_eval_full)
|
| 225 |
+
if not success or x_full is None or y_full is None:
|
| 226 |
+
st.warning(f"Solver failed for initial condition {idx}: ({x0}, {y0})")
|
| 227 |
+
continue
|
| 228 |
+
|
| 229 |
+
# For PINN, use the PINN solution if available
|
| 230 |
+
if solver_type == "PINN (Physics-Informed Neural Network)" and 'pinn_x_full' in locals():
|
| 231 |
+
x_full, y_full = pinn_x_full, pinn_y_full
|
| 232 |
+
|
| 233 |
+
# Get solution on training interval [0, t_train_end] for neural network training
|
| 234 |
+
t_eval_train = np.linspace(0, tte, max(50, tn//2)) # Use fewer points for training
|
| 235 |
+
scipy_train_solver = SciPySolver(method='DOP853')
|
| 236 |
+
train_success, x_train, y_train = scipy_train_solver.solve(rhs_func, (x0, y0), t_eval_train)
|
| 237 |
+
if not train_success:
|
| 238 |
+
continue
|
| 239 |
+
|
| 240 |
+
# Train neural network on [0, t_train_end] - keeping the original neural ODE approach
|
| 241 |
+
from utils.neural_ode_solver import train_neural_ode, predict_with_neural_ode
|
| 242 |
+
nn_model = train_neural_ode(t_eval_train, x_train, y_train, epochs=10)
|
| 243 |
+
x_nn_full, y_nn_full = predict_with_neural_ode(nn_model, t_eval_full)
|
| 244 |
+
|
| 245 |
+
# Store solutions for plotting
|
| 246 |
+
solutions.append({
|
| 247 |
+
"dop853_x": x_full,
|
| 248 |
+
"dop853_y": y_full,
|
| 249 |
+
"nn_x": x_nn_full,
|
| 250 |
+
"nn_y": y_nn_full,
|
| 251 |
+
"t_full": t_eval_full
|
| 252 |
+
})
|
| 253 |
+
|
| 254 |
+
# Calculate metrics using the primary solution on the full interval
|
| 255 |
+
amp = float(np.max(np.sqrt(x_full * x_full + y_full * y_full)) - np.min(np.sqrt(x_full * x_full + y_full * y_full)))
|
| 256 |
+
|
| 257 |
+
ftle, final_d, ftle_r2 = compute_ftle_metrics(rhs_func, x0, y0, tfe, t_eval_full, x_full, y_full)
|
| 258 |
+
|
| 259 |
+
# Hurst: compute for x and y and take mean
|
| 260 |
+
hx = hurst_rs(x_full)
|
| 261 |
+
hy = hurst_rs(y_full)
|
| 262 |
+
hurst_val = np.nanmean([hx, hy])
|
| 263 |
+
|
| 264 |
+
# curvature radius stats
|
| 265 |
+
cr_stats = curvature_radius_stats(x_full, y_full, t_eval_full)
|
| 266 |
+
curv_mean = cr_stats["mean"]
|
| 267 |
+
curv_median = cr_stats["median"]
|
| 268 |
+
curv_std = cr_stats["std"]
|
| 269 |
+
|
| 270 |
+
# path length
|
| 271 |
+
path_len = compute_path_length(x_full, y_full)
|
| 272 |
+
|
| 273 |
+
# maximum curvature (kappa) and fraction of high curvature points
|
| 274 |
+
kappa_arr = cr_stats.get("kappa_array")
|
| 275 |
+
# kappa_array may include inf/nan; handle robustly
|
| 276 |
+
kappa_vals = np.array(kappa_arr)
|
| 277 |
+
kappa_vals = kappa_vals[np.isfinite(kappa_vals)] if kappa_vals is not None else np.array([])
|
| 278 |
+
max_kappa = float(np.nanmax(kappa_vals)) if kappa_vals.size > 0 else np.nan
|
| 279 |
+
# fraction of points with radius < 10 -> kappa > 0.1 (example threshold)
|
| 280 |
+
frac_high_curv = float(np.sum(kappa_vals > 0.1) / len(t_eval_full)) if kappa_vals.size > 0 else np.nan
|
| 281 |
+
|
| 282 |
+
metrics.append({
|
| 283 |
+
"idx": idx,
|
| 284 |
+
"ftle": ftle,
|
| 285 |
+
"ftle_r2": ftle_r2,
|
| 286 |
+
"amp": amp,
|
| 287 |
+
"final_dist": final_d,
|
| 288 |
+
"hurst": hurst_val,
|
| 289 |
+
"curv_radius_mean": curv_mean,
|
| 290 |
+
"curv_radius_median": curv_median,
|
| 291 |
+
"curv_radius_std": curv_std,
|
| 292 |
+
"curv_p10": cr_stats["p10"],
|
| 293 |
+
"curv_p90": cr_stats["p90"],
|
| 294 |
+
"curv_count_finite": cr_stats["count_finite"],
|
| 295 |
+
"initial_x": float(x0),
|
| 296 |
+
"initial_y": float(y0),
|
| 297 |
+
"path_len": path_len,
|
| 298 |
+
"max_kappa": max_kappa,
|
| 299 |
+
"frac_high_curv": frac_high_curv,
|
| 300 |
+
})
|
| 301 |
+
|
| 302 |
+
|
| 303 |
+
# Compute local z-score of curvature median versus nearest neighbours (fallback without sklearn available)
|
| 304 |
+
try:
|
| 305 |
+
from sklearn.neighbors import NearestNeighbors
|
| 306 |
+
use_sklearn = True
|
| 307 |
+
except Exception:
|
| 308 |
+
use_sklearn = False
|
| 309 |
+
|
| 310 |
+
if metrics:
|
| 311 |
+
arr_init = np.array([[m["initial_x"], m["initial_y"]] for m in metrics])
|
| 312 |
+
rad_meds = np.array([m["curv_radius_median"] for m in metrics])
|
| 313 |
+
local_z = np.full(len(metrics), np.nan)
|
| 314 |
+
if len(metrics) > 1:
|
| 315 |
+
nbrs_k = min(5, len(metrics) - 1)
|
| 316 |
+
if use_sklearn:
|
| 317 |
+
nbrs = NearestNeighbors(n_neighbors=nbrs_k + 1).fit(arr_init)
|
| 318 |
+
distances, indices = nbrs.kneighbors(arr_init)
|
| 319 |
+
for i in range(len(metrics)):
|
| 320 |
+
neigh_idx = indices[i, 1:]
|
| 321 |
+
neigh_vals = rad_meds[neigh_idx]
|
| 322 |
+
neigh_vals = neigh_vals[np.isfinite(neigh_vals)]
|
| 323 |
+
if not np.isfinite(rad_meds[i]) or len(neigh_vals) < 1:
|
| 324 |
+
local_z[i] = np.nan
|
| 325 |
+
else:
|
| 326 |
+
mu = np.mean(neigh_vals)
|
| 327 |
+
sigma = np.std(neigh_vals)
|
| 328 |
+
local_z[i] = (rad_meds[i] - mu) / sigma if sigma != 0 else np.nan
|
| 329 |
+
else:
|
| 330 |
+
for i in range(len(metrics)):
|
| 331 |
+
dists = np.linalg.norm(arr_init - arr_init[i : i + 1], axis=1)
|
| 332 |
+
order = np.argsort(dists)
|
| 333 |
+
neigh_idx = order[1 : 1 + nbrs_k]
|
| 334 |
+
neigh_vals = rad_meds[neigh_idx]
|
| 335 |
+
neigh_vals = neigh_vals[np.isfinite(neigh_vals)]
|
| 336 |
+
if not np.isfinite(rad_meds[i]) or len(neigh_vals) < 1:
|
| 337 |
+
local_z[i] = np.nan
|
| 338 |
+
else:
|
| 339 |
+
mu = np.mean(neigh_vals)
|
| 340 |
+
sigma = np.std(neigh_vals)
|
| 341 |
+
local_z[i] = (rad_meds[i] - mu) / sigma if sigma != 0 else np.nan
|
| 342 |
+
for i in range(len(metrics)):
|
| 343 |
+
metrics[i]["curv_radius_local_zscore"] = float(local_z[i]) if np.isfinite(local_z[i]) else np.nan
|
| 344 |
+
|
| 345 |
+
# Build dataframe
|
| 346 |
+
df_metrics = pd.DataFrame(metrics)
|
| 347 |
+
|
| 348 |
+
# --- Compute anomaly score (combine multiple indicators) ---
|
| 349 |
+
# Prepare columns for scoring: ftle (higher), path_len (higher), max_kappa (higher), ftle_r2 (higher means reliable)
|
| 350 |
+
# We'll compute robust z-scores (subtract median, divide by IQR) to avoid influence of outliers
|
| 351 |
+
|
| 352 |
+
def robust_z(arr):
|
| 353 |
+
arr = np.array(arr, dtype=float)
|
| 354 |
+
finite = np.isfinite(arr)
|
| 355 |
+
out = np.full_like(arr, np.nan)
|
| 356 |
+
if np.sum(finite) == 0:
|
| 357 |
+
return out
|
| 358 |
+
median = np.nanmedian(arr[finite])
|
| 359 |
+
q1 = np.nanpercentile(arr[finite], 25)
|
| 360 |
+
q3 = np.nanpercentile(arr[finite], 75)
|
| 361 |
+
iqr = q3 - q1 if q3 - q1 != 0 else 1.0
|
| 362 |
+
out[finite] = (arr[finite] - median) / iqr
|
| 363 |
+
return out
|
| 364 |
+
|
| 365 |
+
if not df_metrics.empty:
|
| 366 |
+
ftle_z = robust_z(df_metrics['ftle'].values)
|
| 367 |
+
path_z = robust_z(df_metrics['path_len'].values)
|
| 368 |
+
kappa_z = robust_z(df_metrics['max_kappa'].values)
|
| 369 |
+
r2_z = robust_z(df_metrics['ftle_r2'].fillna(0).values)
|
| 370 |
+
hurst_z = robust_z(df_metrics['hurst'].fillna(0).values)
|
| 371 |
+
# score = ftle_z + path_z + kappa_z - r2_z + hurst_z (penalize low r2 by subtracting its z, include hurst)
|
| 372 |
+
score_arr = ftle_z + path_z + kappa_z - r2_z + hurst_z
|
| 373 |
+
df_metrics['anomaly_score'] = score_arr
|
| 374 |
+
|
| 375 |
+
# --- Selection UI (checkbox list, sorted by anomaly_score desc) ---
|
| 376 |
+
selected_idx = []
|
| 377 |
+
st.sidebar.markdown("**Select trajectories to display (sorted by anomaly score)**")
|
| 378 |
+
|
| 379 |
+
# Checkbox for connecting lines between DOP853 and NN
|
| 380 |
+
show_connections = st.sidebar.checkbox("Show connections (DOP853 ↔ NN)", value=False, key="show_connections")
|
| 381 |
+
|
| 382 |
+
# Connection stride parameter
|
| 383 |
+
if show_connections:
|
| 384 |
+
connection_stride = st.sidebar.slider("Connection stride", min_value=1, max_value=20, value=5, step=1)
|
| 385 |
+
else:
|
| 386 |
+
connection_stride = 5 # default value when not showing connections
|
| 387 |
+
|
| 388 |
+
if not df_metrics.empty:
|
| 389 |
+
df_sorted = df_metrics.sort_values(by="anomaly_score", ascending=False, na_position="last")
|
| 390 |
+
|
| 391 |
+
# Master checkbox to hide all trajectories
|
| 392 |
+
hide_all = st.sidebar.checkbox("Hide all trajectories", value=True, key="hide_all_trajectories")
|
| 393 |
+
|
| 394 |
+
selected_idx = []
|
| 395 |
+
new_enabled = []
|
| 396 |
+
|
| 397 |
+
for m, row in df_sorted.iterrows():
|
| 398 |
+
idx = int(row["idx"])
|
| 399 |
+
# Updated label to include Hurst exponent
|
| 400 |
+
label = f"{idx}: H={row.get('hurst', np.nan):.3g} | score={row.get('anomaly_score', np.nan):.3g}, FTLE={row.get('ftle', np.nan):.3g}"
|
| 401 |
+
|
| 402 |
+
checked = st.sidebar.checkbox(
|
| 403 |
+
label,
|
| 404 |
+
value=(idx in st.session_state.get("enabled_checkboxes", [])),
|
| 405 |
+
key=f"traj_{idx}"
|
| 406 |
+
)
|
| 407 |
+
|
| 408 |
+
if checked:
|
| 409 |
+
new_enabled.append(idx)
|
| 410 |
+
selected_idx.append(idx)
|
| 411 |
+
|
| 412 |
+
# FINAL FILTER: if hide_all is True, clear selected_idx
|
| 413 |
+
if hide_all:
|
| 414 |
+
selected_idx = []
|
| 415 |
+
|
| 416 |
+
st.session_state.enabled_checkboxes = new_enabled
|
| 417 |
+
|
| 418 |
+
# --- Plot trajectories ---
|
| 419 |
+
fig, ax = plt.subplots(figsize=(8, 6))
|
| 420 |
+
styles, colors = ['-', '--', '-.', ':'], plt.cm.tab20.colors
|
| 421 |
+
|
| 422 |
+
for m, solution_data in enumerate(solutions):
|
| 423 |
+
if m not in selected_idx:
|
| 424 |
+
continue
|
| 425 |
+
color = colors[m % len(colors)]
|
| 426 |
+
|
| 427 |
+
# Plot DOP853 solution (solid line)
|
| 428 |
+
x_dop = solution_data["dop853_x"]
|
| 429 |
+
y_dop = solution_data["dop853_y"]
|
| 430 |
+
ax.plot(x_dop, y_dop, linestyle='-', color=color, linewidth=1.2, label=f'DOP853 traj {m}' if m == selected_idx[0] else "")
|
| 431 |
+
|
| 432 |
+
# Plot Neural Network solution on full interval (dashed line)
|
| 433 |
+
if solution_data["nn_x"] is not None and solution_data["nn_y"] is not None:
|
| 434 |
+
x_nn = solution_data["nn_x"]
|
| 435 |
+
y_nn = solution_data["nn_y"]
|
| 436 |
+
t_full = solution_data["t_full"]
|
| 437 |
+
|
| 438 |
+
# Plot NN solution as dashed line throughout the full interval
|
| 439 |
+
ax.plot(x_nn, y_nn, linestyle='--', color=color, linewidth=1.0, alpha=0.7, label=f'NN traj {m}' if m == selected_idx[0] else "")
|
| 440 |
+
|
| 441 |
+
# Mark initial and final points
|
| 442 |
+
ax.plot(x_dop[0], y_dop[0], 'o', color=color, markersize=4)
|
| 443 |
+
ax.plot(x_dop[-1], y_dop[-1], 'x', color=color, markersize=6)
|
| 444 |
+
ax.text(x_dop[-1] + 0.01, y_dop[-1] + 0.01, f"{m}", fontsize=8, color=color)
|
| 445 |
+
|
| 446 |
+
# Mark t_train_end point with a triangle for both DOP853 and NN
|
| 447 |
+
train_idx = np.searchsorted(t_full, tte)
|
| 448 |
+
if train_idx < len(x_dop):
|
| 449 |
+
ax.plot(x_dop[train_idx], y_dop[train_idx], '^', color=color, markersize=8, markeredgecolor='black')
|
| 450 |
+
# Also mark the corresponding point on NN curve
|
| 451 |
+
if x_nn is not None and y_nn is not None and train_idx < len(x_nn):
|
| 452 |
+
ax.plot(x_nn[train_idx], y_nn[train_idx], '^', color=color, markersize=8, markeredgecolor='black', markerfacecolor='none')
|
| 453 |
+
|
| 454 |
+
# Always draw line between triangles at t_train_end regardless of show_connections setting
|
| 455 |
+
ax.plot([x_dop[train_idx], x_nn[train_idx]], [y_dop[train_idx], y_nn[train_idx]],
|
| 456 |
+
color=color, linewidth=1.0, alpha=0.7, linestyle=':')
|
| 457 |
+
|
| 458 |
+
# If showing connections, draw lines between DOP853 and NN points
|
| 459 |
+
if show_connections:
|
| 460 |
+
for i in range(0, len(x_dop), connection_stride):
|
| 461 |
+
ax.plot([x_dop[i], x_nn[i]], [y_dop[i], y_nn[i]],
|
| 462 |
+
color=color, linewidth=0.5, alpha=0.3, linestyle='-')
|
| 463 |
+
|
| 464 |
+
# Add trajectory number label near the end point for both curves
|
| 465 |
+
ax.text(x_dop[-1] + 0.01, y_dop[-1] + 0.01, f"{m}", fontsize=8, color=color)
|
| 466 |
+
if x_nn is not None and y_nn is not None:
|
| 467 |
+
ax.text(x_nn[-1] + 0.01, y_nn[-1] + 0.01, f"{m}", fontsize=8, color=color)
|
| 468 |
+
|
| 469 |
+
ax.set_title(f"Gene regulatory trajectories ({solver_type}) — t_train_end={tte:.2f}, t_full_end={tfe:.2f}, t_points={tn}")
|
| 470 |
+
ax.set_xlabel("x(t)")
|
| 471 |
+
ax.set_ylabel("y(t)")
|
| 472 |
+
ax.grid(True)
|
| 473 |
+
# Only show legend if there are few trajectories to avoid clutter
|
| 474 |
+
if len(selected_idx) <= 3:
|
| 475 |
+
ax.legend()
|
| 476 |
+
else:
|
| 477 |
+
# Create custom legend with unique labels
|
| 478 |
+
legend_elements = [Line2D([0], [0], color='gray', lw=2, linestyle='-', label='DOP853'),
|
| 479 |
+
Line2D([0], [0], color='gray', lw=2, linestyle='--', label='NN')]
|
| 480 |
+
ax.legend(handles=legend_elements)
|
| 481 |
+
st.pyplot(fig)
|
| 482 |
+
|
| 483 |
+
# --- Time series plot: x(t) and y(t) ---
|
| 484 |
+
fig_ts, ax_ts = plt.subplots(figsize=(8, 6))
|
| 485 |
+
|
| 486 |
+
for m, solution_data in enumerate(solutions):
|
| 487 |
+
if m not in selected_idx:
|
| 488 |
+
continue
|
| 489 |
+
color = colors[m % len(colors)]
|
| 490 |
+
|
| 491 |
+
t_full = solution_data["t_full"]
|
| 492 |
+
x_dop = solution_data["dop853_x"]
|
| 493 |
+
y_dop = solution_data["dop853_y"]
|
| 494 |
+
|
| 495 |
+
# Plot x(t) as solid line and y(t) as dashed line
|
| 496 |
+
ax_ts.plot(t_full, x_dop, linestyle='-', color=color, linewidth=1.2, label=f'x(t) traj {m}' if m == selected_idx[0] else "")
|
| 497 |
+
ax_ts.plot(t_full, y_dop, linestyle='--', color=color, linewidth=1.2, label=f'y(t) traj {m}' if m == selected_idx[0] else "")
|
| 498 |
+
|
| 499 |
+
ax_ts.set_title(f"Time series ({solver_type}) — x(t) and y(t) — t_train_end={tte:.2f}, t_full_end={tfe:.2f}, t_points={tn}")
|
| 500 |
+
ax_ts.set_xlabel("t")
|
| 501 |
+
ax_ts.set_ylabel("x(t), y(t)")
|
| 502 |
+
ax_ts.grid(True)
|
| 503 |
+
ax_ts.legend()
|
| 504 |
+
st.pyplot(fig_ts)
|
| 505 |
+
|
| 506 |
+
# --- Shadowing plot: epsilon(t) ---
|
| 507 |
+
if show_connections:
|
| 508 |
+
# Import shadowing functionality
|
| 509 |
+
from core.shadowing import compute_epsilon_t, find_shadowing_breakdown_time
|
| 510 |
+
|
| 511 |
+
fig_shad, ax_shad = plt.subplots(figsize=(8, 6))
|
| 512 |
+
|
| 513 |
+
for m, solution_data in enumerate(solutions):
|
| 514 |
+
if m not in selected_idx:
|
| 515 |
+
continue
|
| 516 |
+
color = colors[m % len(colors)]
|
| 517 |
+
|
| 518 |
+
t_full = solution_data["t_full"]
|
| 519 |
+
x_dop = solution_data["dop853_x"]
|
| 520 |
+
y_dop = solution_data["dop853_y"]
|
| 521 |
+
x_nn = solution_data["nn_x"]
|
| 522 |
+
y_nn = solution_data["nn_y"]
|
| 523 |
+
|
| 524 |
+
# Calculate distance between DOP853 and NN solutions
|
| 525 |
+
dist = np.sqrt((x_dop - x_nn)**2 + (y_dop - y_nn)**2)
|
| 526 |
+
# Calculate epsilon(t) as the running maximum (sup norm)
|
| 527 |
+
epsilon_t = compute_epsilon_t(dist)
|
| 528 |
+
|
| 529 |
+
ax_shad.plot(epsilon_t, t_full, color=color, linewidth=1.2, label=f'ε(t) traj {m}' if m == selected_idx[0] else "")
|
| 530 |
+
|
| 531 |
+
# Calculate and annotate shadowing breakdown time
|
| 532 |
+
shadowing_time, shadowing_length, shadowing_ratio = find_shadowing_breakdown_time(epsilon_t, t_full)
|
| 533 |
+
if shadowing_time is not None:
|
| 534 |
+
ax_shad.axhline(y=shadowing_time, color=color, linestyle=':', alpha=0.7, label=f't*={shadowing_time:.2f} traj {m}')
|
| 535 |
+
|
| 536 |
+
# Add vertical line to indicate the transition from training to extrapolation
|
| 537 |
+
ax_shad.axhline(y=tte, color='red', linestyle='--', alpha=0.7, label=f't_train_end={tte}')
|
| 538 |
+
|
| 539 |
+
ax_shad.set_title(f"Shadowing ({solver_type}) — ε(t) vs t — t_train_end={tte:.2f}, t_full_end={tfe:.2f}, t_points={tn}")
|
| 540 |
+
ax_shad.set_xlabel("ε(t)")
|
| 541 |
+
ax_shad.set_ylabel("t")
|
| 542 |
+
ax_shad.grid(True)
|
| 543 |
+
# Only show legend if there are few trajectories to avoid clutter
|
| 544 |
+
if len(selected_idx) <= 3:
|
| 545 |
+
ax_shad.legend()
|
| 546 |
+
else:
|
| 547 |
+
# Create custom legend with unique labels
|
| 548 |
+
legend_elements = [Line2D([0], [0], color='gray', lw=2, linestyle='-', label='ε(t)'),
|
| 549 |
+
Line2D([0], [0], color='red', lw=1, linestyle='--', label=f'train/extrap boundary')]
|
| 550 |
+
ax_shad.legend(handles=legend_elements)
|
| 551 |
+
st.pyplot(fig_shad)
|
| 552 |
+
|
| 553 |
+
# Display shadowing diagnostics
|
| 554 |
+
st.markdown("**Shadowing Diagnostics:**")
|
| 555 |
+
shadowing_diagnostics_text = ""
|
| 556 |
+
for m, solution_data in enumerate(solutions):
|
| 557 |
+
if m not in selected_idx:
|
| 558 |
+
continue
|
| 559 |
+
|
| 560 |
+
t_full = solution_data["t_full"]
|
| 561 |
+
x_dop = solution_data["dop853_x"]
|
| 562 |
+
y_dop = solution_data["dop853_y"]
|
| 563 |
+
x_nn = solution_data["nn_x"]
|
| 564 |
+
y_nn = solution_data["nn_y"]
|
| 565 |
+
|
| 566 |
+
# Calculate distance between DOP853 and NN solutions
|
| 567 |
+
dist = np.sqrt((x_dop - x_nn)**2 + (y_dop - y_nn)**2)
|
| 568 |
+
# Calculate epsilon(t) as the running maximum (sup norm)
|
| 569 |
+
epsilon_t = compute_epsilon_t(dist)
|
| 570 |
+
|
| 571 |
+
# Calculate shadowing breakdown diagnostics
|
| 572 |
+
shadowing_time, shadowing_length, shadowing_ratio = find_shadowing_breakdown_time(epsilon_t, t_full)
|
| 573 |
+
|
| 574 |
+
if shadowing_time is not None:
|
| 575 |
+
shadowing_diagnostics_text += f"Trajectory {m}: t* = {shadowing_time:.3f}, length = {shadowing_length:.3f}, ratio = {shadowing_ratio:.3f}\n"
|
| 576 |
+
else:
|
| 577 |
+
shadowing_diagnostics_text += f"Trajectory {m}: No breakdown (ε(t) ≤ threshold for entire duration)\n"
|
| 578 |
+
|
| 579 |
+
if shadowing_diagnostics_text:
|
| 580 |
+
st.text(shadowing_diagnostics_text)
|
| 581 |
+
|
| 582 |
+
# --- Show info about solvers ---
|
| 583 |
+
st.info(f"DOP853 solved on full interval [0, {tfe:.2f}], NN (Feedforward) trained on [0, {tte:.2f}] and applied to full interval [0, {tfe:.2f}]")
|
| 584 |
+
|
| 585 |
+
# --- Show metrics table (rounded) ---
|
| 586 |
+
st.markdown("**Per-trajectory metrics (rounded to 3 decimals)**")
|
| 587 |
+
if not df_metrics.empty:
|
| 588 |
+
df_to_display = df_metrics.reset_index(drop=True)
|
| 589 |
+
|
| 590 |
+
# Create a copy of the dataframe with shorter column names for display purposes
|
| 591 |
+
df_display_shortened = df_to_display.copy()
|
| 592 |
+
|
| 593 |
+
# Define mapping for shortened column names (only for long 'curv_' columns)
|
| 594 |
+
column_rename_map = {
|
| 595 |
+
'curv_radius_mean': 'curv_rad_mn',
|
| 596 |
+
'curv_radius_median': 'curv_rad_med',
|
| 597 |
+
'curv_radius_std': 'curv_rad_std',
|
| 598 |
+
'curv_radius_local_zscore': 'curv_rad_lcl_z',
|
| 599 |
+
'curv_count_finite': 'curv_ct_fin'
|
| 600 |
+
# Note: curv_p10 and curv_p90 are already short
|
| 601 |
+
}
|
| 602 |
+
|
| 603 |
+
df_display_shortened = df_display_shortened.rename(columns=column_rename_map)
|
| 604 |
+
|
| 605 |
+
# Format only numeric columns, keeping 'idx' as integer
|
| 606 |
+
numeric_columns = df_display_shortened.select_dtypes(include=[np.number]).columns.tolist()
|
| 607 |
+
formatter = {col: "{:.3f}" for col in numeric_columns}
|
| 608 |
+
|
| 609 |
+
# Apply styling - note that our highlight function now supports both original and shortened names
|
| 610 |
+
styled_df = df_display_shortened.style.format(formatter).apply(highlight_extreme_values_in_table, axis=None)
|
| 611 |
+
|
| 612 |
+
st.dataframe(styled_df)
|
| 613 |
+
|
| 614 |
+
# CSV export with rounding
|
| 615 |
+
if not df_metrics.empty:
|
| 616 |
+
csv_name = "export_metrics_rounded.csv"
|
| 617 |
+
df_metrics.round(3).to_csv(csv_name, index=False, float_format="%.3f")
|
| 618 |
+
st.download_button("Download metrics CSV (rounded)", data=open(csv_name, 'rb'), file_name=csv_name)
|
| 619 |
+
|
| 620 |
+
st.markdown("**Parameters currently used:**")
|
| 621 |
+
st.text(parameters_to_text(collect_params_from_widgets()))
|
| 622 |
+
|
| 623 |
+
# Import the documentation function
|
| 624 |
+
from utils.documentation import display_ode_documentation
|
| 625 |
+
|
| 626 |
+
# Display the ODE system documentation
|
| 627 |
+
display_ode_documentation()
|
differential_equations_streamlit_src/pages/1_Lotka-Volterra.py
ADDED
|
@@ -0,0 +1,78 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
import streamlit as st
|
| 2 |
+
import numpy as np
|
| 3 |
+
import matplotlib.pyplot as plt
|
| 4 |
+
from scipy.integrate import solve_ivp
|
| 5 |
+
|
| 6 |
+
# Sidebar controls
|
| 7 |
+
st.sidebar.header("Simulation Settings")
|
| 8 |
+
# Sliders for parameters a, b, k, m
|
| 9 |
+
a = st.sidebar.slider("Prey growth rate a", min_value=0.0, max_value=2.0, step=0.1, value=0.2)
|
| 10 |
+
b = st.sidebar.slider("Predation rate b", min_value=0.0, max_value=2.0, step=0.1, value=0.2)
|
| 11 |
+
k = st.sidebar.slider("Predator efficiency k", min_value=0.0, max_value=2.0, step=0.1, value=0.5)
|
| 12 |
+
m = st.sidebar.slider("Predator death rate m", min_value=0.0, max_value=2.0, step=0.1, value=0.1)
|
| 13 |
+
# End time slider from 1 to 50
|
| 14 |
+
t_end = st.sidebar.slider("End time (t_end)", min_value=1, max_value=50, step=1, value=35)
|
| 15 |
+
|
| 16 |
+
# Number of evaluation points and time array
|
| 17 |
+
N = 500
|
| 18 |
+
t_eval = np.linspace(0, t_end, N)
|
| 19 |
+
|
| 20 |
+
# Solver choice
|
| 21 |
+
method = "DOP853"
|
| 22 |
+
|
| 23 |
+
# Initial conditions for prey (x0) and predator y0
|
| 24 |
+
x0_values = np.arange(1.0, 2.01, 0.1)
|
| 25 |
+
y0 = 1.0
|
| 26 |
+
|
| 27 |
+
# Compute trajectories without caching (to reflect t_end changes)
|
| 28 |
+
def compute_trajectories(params):
|
| 29 |
+
a_, b_, k_, m_ = params
|
| 30 |
+
trajs = []
|
| 31 |
+
for x0 in x0_values:
|
| 32 |
+
def lv_system(t, z):
|
| 33 |
+
x, y = z
|
| 34 |
+
return [x * (a_ - b_ * y), y * (k_ * b_ * x - m_)]
|
| 35 |
+
sol = solve_ivp(lv_system, (0, t_end), [x0, y0], method=method, t_eval=t_eval)
|
| 36 |
+
trajs.append(sol.y)
|
| 37 |
+
return trajs
|
| 38 |
+
|
| 39 |
+
trajectories = compute_trajectories((a, b, k, m))
|
| 40 |
+
|
| 41 |
+
# Plot static phase trajectories
|
| 42 |
+
fig, ax = plt.subplots(figsize=(8, 6))
|
| 43 |
+
title = f"Lotka–Volterra (a={a}, b={b}, k={k}, m={m}; t_end={t_end})"
|
| 44 |
+
ax.set_title(title, fontsize=14)
|
| 45 |
+
ax.set_xlabel("Prey population x(t)")
|
| 46 |
+
ax.set_ylabel("Predator population y(t)")
|
| 47 |
+
ax.grid(True, linestyle='--', linewidth=0.5)
|
| 48 |
+
|
| 49 |
+
for idx, (x, y) in enumerate(trajectories):
|
| 50 |
+
ax.plot(x, y, linewidth=1.0)
|
| 51 |
+
ax.plot(x[0], y[0], 'o', color='black', markersize=4)
|
| 52 |
+
ax.plot(x[-1], y[-1], 'x', color='red', markersize=4)
|
| 53 |
+
ax.text(x[-1], y[-1], f"x0={x0_values[idx]:.1f}", fontsize=8)
|
| 54 |
+
|
| 55 |
+
st.pyplot(fig)
|
| 56 |
+
|
| 57 |
+
# Mathematical formulation and notes on main page
|
| 58 |
+
st.markdown("---")
|
| 59 |
+
st.markdown("**Lotka–Volterra system of equations:**")
|
| 60 |
+
st.latex(r"""
|
| 61 |
+
\begin{cases}
|
| 62 |
+
\frac{dx}{dt} = x \left(a - b y\right),\\
|
| 63 |
+
\frac{dy}{dt} = y \left(k b x - m\right),
|
| 64 |
+
\end{cases}
|
| 65 |
+
""")
|
| 66 |
+
|
| 67 |
+
# Notes
|
| 68 |
+
st.markdown("---")
|
| 69 |
+
st.markdown("""
|
| 70 |
+
**Notes:**
|
| 71 |
+
- Start point ●, end point ×.
|
| 72 |
+
- Initial x₀ from 1.0 to 2.0 step 0.1; y₀ = 1.0.
|
| 73 |
+
- Solver: DOP853, points N = 500.
|
| 74 |
+
""")
|
| 75 |
+
|
| 76 |
+
# App title at bottom
|
| 77 |
+
st.markdown("---")
|
| 78 |
+
st.markdown("*Lotka–Volterra Model Explorer*")
|
differential_equations_streamlit_src/requirements.txt
ADDED
|
@@ -0,0 +1,5 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
streamlit>=1.32
|
| 2 |
+
matplotlib>=3.8
|
| 3 |
+
numpy>=1.26
|
| 4 |
+
scipy
|
| 5 |
+
torch
|
differential_equations_streamlit_src/utils/__init__.py
ADDED
|
@@ -0,0 +1,6 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
from .documentation import display_ode_documentation
|
| 2 |
+
from .plain_text_parameters import parameters_to_text, text_to_parameters
|
| 3 |
+
from .compute_metrics import compute_ftle_metrics
|
| 4 |
+
from .highlight_extreme_values_in_table import highlight_extreme_values_in_table
|
| 5 |
+
|
| 6 |
+
__all__ = ['display_ode_documentation', 'parameters_to_text', 'text_to_parameters', 'compute_ftle_metrics', 'highlight_extreme_values_in_table']
|
differential_equations_streamlit_src/utils/compute_metrics.py
ADDED
|
@@ -0,0 +1,46 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
import numpy as np
|
| 2 |
+
from scipy.integrate import solve_ivp
|
| 3 |
+
|
| 4 |
+
|
| 5 |
+
def compute_ftle_metrics(rhs, x0, y0, te, t_eval, x, y):
|
| 6 |
+
"""
|
| 7 |
+
Computes FTLE (Finite-Time Lyapunov Exponent) and related metrics.
|
| 8 |
+
|
| 9 |
+
Args:
|
| 10 |
+
rhs: Right-hand side function of the ODE system
|
| 11 |
+
x0, y0: Initial conditions
|
| 12 |
+
te: End time
|
| 13 |
+
t_eval: Time points array
|
| 14 |
+
x, y: Solution arrays from the main trajectory
|
| 15 |
+
|
| 16 |
+
Returns:
|
| 17 |
+
tuple: (ftle, final_d, ftle_r2) or (np.nan, np.nan, np.nan) if computation fails
|
| 18 |
+
"""
|
| 19 |
+
eps = 1e-6 * (1.0 + abs(x0) + abs(y0))
|
| 20 |
+
xp0, yp0 = x0 + eps, y0 + 0.5 * eps
|
| 21 |
+
try:
|
| 22 |
+
sol_p = solve_ivp(rhs, (0, te), (xp0, yp0), method='DOP853', t_eval=t_eval)
|
| 23 |
+
if sol_p.success:
|
| 24 |
+
xp, yp = sol_p.y
|
| 25 |
+
dist = np.sqrt((x - xp) ** 2 + (y - yp) ** 2)
|
| 26 |
+
dist = np.where(dist <= 0, 1e-12, dist)
|
| 27 |
+
final_d = float(dist[-1])
|
| 28 |
+
s_idx, e_idx = int(0.25 * len(t_eval)), int(0.75 * len(t_eval))
|
| 29 |
+
if e_idx > s_idx + 1:
|
| 30 |
+
d_slice = dist[s_idx:e_idx]
|
| 31 |
+
t_slice = t_eval[s_idx:e_idx]
|
| 32 |
+
d_slice = np.clip(d_slice, 1e-12, None)
|
| 33 |
+
ln_d = np.log(d_slice)
|
| 34 |
+
# linear fit and r2 diagnostics
|
| 35 |
+
slope, intercept = np.polyfit(t_slice, ln_d, 1)
|
| 36 |
+
ftle = float(slope)
|
| 37 |
+
resid = ln_d - (slope * t_slice + intercept)
|
| 38 |
+
ss_res = np.sum(resid ** 2)
|
| 39 |
+
ss_tot = np.sum((ln_d - np.mean(ln_d)) ** 2)
|
| 40 |
+
ftle_r2 = 1 - ss_res / ss_tot if ss_tot > 0 else np.nan
|
| 41 |
+
return ftle, final_d, ftle_r2
|
| 42 |
+
# Return NaN values if computation was unsuccessful
|
| 43 |
+
return np.nan, np.nan, np.nan
|
| 44 |
+
except Exception:
|
| 45 |
+
# Return NaN values in case of exception
|
| 46 |
+
return np.nan, np.nan, np.nan
|
differential_equations_streamlit_src/utils/documentation.py
ADDED
|
@@ -0,0 +1,43 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
import streamlit as st
|
| 2 |
+
|
| 3 |
+
def display_ode_documentation():
|
| 4 |
+
"""
|
| 5 |
+
Displays the ODE system documentation and equations in the Streamlit interface.
|
| 6 |
+
This includes annotations about the curves, metrics, FTLE diagnostics, and the
|
| 7 |
+
mathematical formulation of the gene regulatory ODE system.
|
| 8 |
+
"""
|
| 9 |
+
st.markdown("---")
|
| 10 |
+
st.markdown("- Each curve is annotated with its `idx` at the final point.")
|
| 11 |
+
st.markdown("- Table shows robust curvature statistics (median, p10, p90) and path length.")
|
| 12 |
+
st.markdown("- FTLE diagnostics include R^2 of ln(dist) fit (ftle_r2). Anomaly score combines FTLE, path length, max curvature and R^2 reliability.")
|
| 13 |
+
|
| 14 |
+
st.markdown("---")
|
| 15 |
+
st.markdown("**Column Descriptions:**")
|
| 16 |
+
st.markdown("- idx - Index of the trajectory, starting from 0")
|
| 17 |
+
st.markdown("- ftle - Finite-Time Lyapunov Exponent, computed as the slope of linear fit of ln(d(t)) vs t on a central window (25%–75% of t_eval) after clipping d(t) to a minimum (1e-12)")
|
| 18 |
+
st.markdown("- ftle_r2 - Coefficient of determination (R²) of the linear fit for FTLE, indicating reliability of the ftle estimate")
|
| 19 |
+
st.markdown("- amp - Amplitude (max−min of radial distance sqrt(x²+y²))")
|
| 20 |
+
st.markdown("- final_dist - Final distance between the original trajectory and its companion trajectory with tiny perturbation")
|
| 21 |
+
st.markdown("- hurst - Hurst exponent using the rescaled range (R/S) method calculated for x(t) and y(t) and averaged")
|
| 22 |
+
st.markdown("- curv_rad_mn - Mean curvature radius computed from 1/κ(t) where κ(t) is the curvature")
|
| 23 |
+
st.markdown("- curv_rad_med - Median curvature radius computed from 1/κ(t) where κ(t) is the curvature")
|
| 24 |
+
st.markdown("- curv_rad_std - Standard deviation of curvature radius")
|
| 25 |
+
st.markdown("- curv_p10 - 10th percentile of curvature radius")
|
| 26 |
+
st.markdown("- curv_p90 - 90th percentile of curvature radius")
|
| 27 |
+
st.markdown("- curv_ct_fin - Number of finite radius samples")
|
| 28 |
+
st.markdown("- initial_x - X coordinate of the initial point")
|
| 29 |
+
st.markdown("- initial_y - Y coordinate of the initial point")
|
| 30 |
+
st.markdown("- path_len - Total arclength computed as sum of Euclidean distances between consecutive points along the trajectory")
|
| 31 |
+
st.markdown("- max_kappa - Maximum finite curvature value, useful to detect sharp bends")
|
| 32 |
+
st.markdown("- frac_high_curv - Fraction of time points with κ(t) above a threshold (default κ > 0.1, i.e., radius < 10), measuring density of sharp bends along the trajectory")
|
| 33 |
+
st.markdown("- curv_rad_lcl_z - Local z-score of curve median curvature radius relative to nearest neighbors in initial condition space")
|
| 34 |
+
st.markdown("- anomaly_score - Aggregated score combining robust z-scores (IQR-based) of ftle, path_len, max_kappa, and ftle_r2 (ftle + path_len + max_kappa − ftle_r2)")
|
| 35 |
+
|
| 36 |
+
st.markdown("---")
|
| 37 |
+
st.markdown("**System of ODEs (safe):**")
|
| 38 |
+
st.latex(r"""
|
| 39 |
+
\begin{cases}
|
| 40 |
+
\frac{dx}{dt} = \frac{K\,x^{1/\alpha}}{b^{1/\alpha} + x^{1/\alpha}} - \gamma_1\,x,\\[6pt]
|
| 41 |
+
\frac{dy}{dt} = \frac{K\,y^{1/\alpha}}{b^{1/\alpha} + y^{1/\alpha}} - \gamma_2\,y.
|
| 42 |
+
\end{cases}
|
| 43 |
+
""")
|
differential_equations_streamlit_src/utils/highlight_extreme_values_in_table.py
ADDED
|
@@ -0,0 +1,74 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
import pandas as pd
|
| 2 |
+
import numpy as np
|
| 3 |
+
|
| 4 |
+
|
| 5 |
+
def highlight_extreme_values_in_table(df):
|
| 6 |
+
"""
|
| 7 |
+
Applies conditional formatting to highlight extreme values in metrics DataFrame.
|
| 8 |
+
Highlights top 2 values in chocolate color for columns where high values are significant,
|
| 9 |
+
and top 2 minimum values in darkturquoise color for columns where low values are significant.
|
| 10 |
+
Works with both original and shortened column names (e.g., curv_radius_mean → curv_rad_mn).
|
| 11 |
+
"""
|
| 12 |
+
# Create a copy of the DataFrame with styling
|
| 13 |
+
styles = pd.DataFrame('', index=df.index, columns=df.columns)
|
| 14 |
+
|
| 15 |
+
# Define possible column names for max values (both original and shortened)
|
| 16 |
+
max_columns_possible = [
|
| 17 |
+
['ftle'], ['ftle_r2'], ['amp'], ['final_dist'], ['hurst'],
|
| 18 |
+
['curv_count_finite', 'curv_ct_fin'], # Both original and shortened
|
| 19 |
+
['path_len'], ['max_kappa'], ['frac_high_curv'], ['anomaly_score']
|
| 20 |
+
]
|
| 21 |
+
|
| 22 |
+
# Define possible column names for min values (both original and shortened)
|
| 23 |
+
min_columns_possible = [
|
| 24 |
+
['curv_radius_mean', 'curv_rad_mn'], # Both original and shortened
|
| 25 |
+
['curv_radius_median', 'curv_rad_med'], # Both original and shortened
|
| 26 |
+
['curv_radius_std', 'curv_rad_std'], # Both original and shortened
|
| 27 |
+
['curv_radius_local_zscore', 'curv_rad_lcl_z'], # Both original and shortened
|
| 28 |
+
['curv_p10'], ['curv_p90']
|
| 29 |
+
]
|
| 30 |
+
|
| 31 |
+
# Identify actual columns in the DataFrame
|
| 32 |
+
max_columns = []
|
| 33 |
+
for col_group in max_columns_possible:
|
| 34 |
+
for col in col_group:
|
| 35 |
+
if col in df.columns:
|
| 36 |
+
max_columns.append(col)
|
| 37 |
+
break # Only add the first matching column from the group
|
| 38 |
+
|
| 39 |
+
min_columns = []
|
| 40 |
+
for col_group in min_columns_possible:
|
| 41 |
+
for col in col_group:
|
| 42 |
+
if col in df.columns:
|
| 43 |
+
min_columns.append(col)
|
| 44 |
+
break # Only add the first matching column from the group
|
| 45 |
+
|
| 46 |
+
for col in df.columns:
|
| 47 |
+
if col == 'idx': # Skip the index column
|
| 48 |
+
continue
|
| 49 |
+
|
| 50 |
+
if col in max_columns:
|
| 51 |
+
# Highlight top 2 maximum values in chocolate color
|
| 52 |
+
if df[col].dtype in ['float64', 'int64', 'float32', 'int32'] and not df[col].isna().all():
|
| 53 |
+
# Get top 2 values (excluding NaN)
|
| 54 |
+
valid_values = df[col].dropna()
|
| 55 |
+
if len(valid_values) >= 2:
|
| 56 |
+
top2_values = valid_values.nlargest(2)
|
| 57 |
+
styles.loc[valid_values.isin(top2_values), col] = 'background-color: #D2691E' # chocolate
|
| 58 |
+
elif len(valid_values) == 1:
|
| 59 |
+
top1_idx = valid_values.index[0]
|
| 60 |
+
styles.loc[top1_idx, col] = 'background-color: #D2691E' # chocolate
|
| 61 |
+
|
| 62 |
+
elif col in min_columns:
|
| 63 |
+
# Highlight top 2 minimum values in darkturquoise color
|
| 64 |
+
if df[col].dtype in ['float64', 'int64', 'float32', 'int32'] and not df[col].isna().all():
|
| 65 |
+
# Get top 2 minimum values (excluding NaN)
|
| 66 |
+
valid_values = df[col].dropna()
|
| 67 |
+
if len(valid_values) >= 2:
|
| 68 |
+
bottom2_values = valid_values.nsmallest(2)
|
| 69 |
+
styles.loc[valid_values.isin(bottom2_values), col] = 'background-color: #00CED1' # darkturquoise
|
| 70 |
+
elif len(valid_values) == 1:
|
| 71 |
+
bottom1_idx = valid_values.index[0]
|
| 72 |
+
styles.loc[bottom1_idx, col] = 'background-color: #00CED1' # darkturquoise
|
| 73 |
+
|
| 74 |
+
return styles
|
differential_equations_streamlit_src/utils/neural_ode_solver.py
ADDED
|
@@ -0,0 +1,105 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# Conditional import for neural ODE solver to handle cases where torch is not available
|
| 2 |
+
try:
|
| 3 |
+
import torch
|
| 4 |
+
import torch.nn as nn
|
| 5 |
+
import torch.optim as optim
|
| 6 |
+
TORCH_AVAILABLE = True
|
| 7 |
+
except ImportError:
|
| 8 |
+
TORCH_AVAILABLE = False
|
| 9 |
+
import numpy as np
|
| 10 |
+
|
| 11 |
+
|
| 12 |
+
if TORCH_AVAILABLE:
|
| 13 |
+
class NeuralODE(nn.Module):
|
| 14 |
+
"""
|
| 15 |
+
Neural Network surrogate for solving ODEs
|
| 16 |
+
Takes time t as input and outputs (x(t), y(t))
|
| 17 |
+
"""
|
| 18 |
+
def __init__(self):
|
| 19 |
+
super().__init__()
|
| 20 |
+
self.net = nn.Sequential(
|
| 21 |
+
nn.Linear(1, 64),
|
| 22 |
+
nn.Tanh(),
|
| 23 |
+
nn.Linear(64, 64),
|
| 24 |
+
nn.Tanh(),
|
| 25 |
+
nn.Linear(64, 64),
|
| 26 |
+
nn.Tanh(),
|
| 27 |
+
nn.Linear(64, 2), # Output x, y
|
| 28 |
+
)
|
| 29 |
+
|
| 30 |
+
def forward(self, t):
|
| 31 |
+
return self.net(t)
|
| 32 |
+
|
| 33 |
+
|
| 34 |
+
def train_neural_ode(t_train, x_train, y_train, epochs=2000, lr=1e-3):
|
| 35 |
+
"""
|
| 36 |
+
Train a neural network to approximate the solution on the training interval
|
| 37 |
+
|
| 38 |
+
Args:
|
| 39 |
+
t_train: array of time points for training
|
| 40 |
+
x_train: array of x values for training
|
| 41 |
+
y_train: array of y values for training
|
| 42 |
+
epochs: number of training epochs
|
| 43 |
+
lr: learning rate
|
| 44 |
+
|
| 45 |
+
Returns:
|
| 46 |
+
Trained model
|
| 47 |
+
"""
|
| 48 |
+
# Prepare training data
|
| 49 |
+
t_train_tensor = torch.tensor(t_train[:, None], dtype=torch.float32)
|
| 50 |
+
xy_train_tensor = torch.tensor(np.column_stack([x_train, y_train]), dtype=torch.float32)
|
| 51 |
+
|
| 52 |
+
# Initialize model
|
| 53 |
+
model = NeuralODE()
|
| 54 |
+
optimizer = optim.Adam(model.parameters(), lr=lr)
|
| 55 |
+
loss_fn = nn.MSELoss()
|
| 56 |
+
|
| 57 |
+
# Training loop
|
| 58 |
+
for epoch in range(epochs):
|
| 59 |
+
optimizer.zero_grad()
|
| 60 |
+
pred = model(t_train_tensor)
|
| 61 |
+
loss = loss_fn(pred, xy_train_tensor)
|
| 62 |
+
loss.backward()
|
| 63 |
+
optimizer.step()
|
| 64 |
+
|
| 65 |
+
if epoch % 500 == 0:
|
| 66 |
+
print(f"Epoch {epoch}, Loss: {loss.item():.6f}")
|
| 67 |
+
|
| 68 |
+
return model
|
| 69 |
+
|
| 70 |
+
|
| 71 |
+
def predict_with_neural_ode(model, t_eval):
|
| 72 |
+
"""
|
| 73 |
+
Predict solution using the trained neural network
|
| 74 |
+
|
| 75 |
+
Args:
|
| 76 |
+
model: trained NeuralODE model
|
| 77 |
+
t_eval: array of time points to evaluate
|
| 78 |
+
|
| 79 |
+
Returns:
|
| 80 |
+
x_pred, y_pred arrays
|
| 81 |
+
"""
|
| 82 |
+
if model is None:
|
| 83 |
+
return None, None
|
| 84 |
+
|
| 85 |
+
with torch.no_grad():
|
| 86 |
+
t_tensor = torch.tensor(t_eval[:, None], dtype=torch.float32)
|
| 87 |
+
pred = model(t_tensor).numpy()
|
| 88 |
+
x_pred = pred[:, 0]
|
| 89 |
+
y_pred = pred[:, 1]
|
| 90 |
+
|
| 91 |
+
return x_pred, y_pred
|
| 92 |
+
else:
|
| 93 |
+
def train_neural_ode(t_train, x_train, y_train, epochs=2000, lr=1e-3):
|
| 94 |
+
"""
|
| 95 |
+
Placeholder function when torch is not available
|
| 96 |
+
"""
|
| 97 |
+
print("PyTorch not available, skipping neural network training")
|
| 98 |
+
return None
|
| 99 |
+
|
| 100 |
+
|
| 101 |
+
def predict_with_neural_ode(model, t_eval):
|
| 102 |
+
"""
|
| 103 |
+
Placeholder function when torch is not available
|
| 104 |
+
"""
|
| 105 |
+
return None, None
|
differential_equations_streamlit_src/utils/plain_text_parameters.py
ADDED
|
@@ -0,0 +1,90 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
# plain_text_parameters.py
|
| 2 |
+
# Utility functions to convert parameters <-> plain text
|
| 3 |
+
|
| 4 |
+
from typing import Dict, Any
|
| 5 |
+
|
| 6 |
+
# Preferred output order for stable copy/paste strings
|
| 7 |
+
_ORDER = [
|
| 8 |
+
"t_number",
|
| 9 |
+
"t_end",
|
| 10 |
+
"alpha",
|
| 11 |
+
"K",
|
| 12 |
+
"b",
|
| 13 |
+
"gamma1",
|
| 14 |
+
"gamma2",
|
| 15 |
+
"initial_radius",
|
| 16 |
+
"num_points",
|
| 17 |
+
"circle_start",
|
| 18 |
+
"circle_end",
|
| 19 |
+
"center_x",
|
| 20 |
+
"center_y",
|
| 21 |
+
"enabled_idx",
|
| 22 |
+
]
|
| 23 |
+
|
| 24 |
+
|
| 25 |
+
def _fmt_value(v: Any) -> str:
|
| 26 |
+
"""Format numbers concisely for plain text output."""
|
| 27 |
+
if isinstance(v, bool):
|
| 28 |
+
return "1" if v else "0"
|
| 29 |
+
if isinstance(v, int):
|
| 30 |
+
return str(v)
|
| 31 |
+
try:
|
| 32 |
+
fv = float(v)
|
| 33 |
+
s = ("%g" % fv)
|
| 34 |
+
return s
|
| 35 |
+
except Exception:
|
| 36 |
+
return str(v)
|
| 37 |
+
|
| 38 |
+
|
| 39 |
+
# --- Convert dictionary to plain text ---
|
| 40 |
+
def parameters_to_text(params: Dict[str, Any]) -> str:
|
| 41 |
+
parts = []
|
| 42 |
+
used = set()
|
| 43 |
+
for k in _ORDER:
|
| 44 |
+
if k in params:
|
| 45 |
+
parts.append(f"{k}={_fmt_value(params[k])}")
|
| 46 |
+
used.add(k)
|
| 47 |
+
for k, v in params.items():
|
| 48 |
+
if k not in used:
|
| 49 |
+
parts.append(f"{k}={_fmt_value(v)}")
|
| 50 |
+
return "; ".join(parts)
|
| 51 |
+
|
| 52 |
+
|
| 53 |
+
# --- Parse plain text to dictionary ---
|
| 54 |
+
def text_to_parameters(text: str) -> Dict[str, Any]:
|
| 55 |
+
"""
|
| 56 |
+
Parse strings like "t_number=100; t_end=1.0; alpha=0.001" into a dict.
|
| 57 |
+
Whitespace and newlines are ignored, both ';' and newlines separate pairs.
|
| 58 |
+
Values are auto-cast to int where possible, else float, else raw string.
|
| 59 |
+
"""
|
| 60 |
+
result: Dict[str, Any] = {}
|
| 61 |
+
if not isinstance(text, str):
|
| 62 |
+
return result
|
| 63 |
+
raw = text.replace("\n", ";")
|
| 64 |
+
for chunk in raw.split(";"):
|
| 65 |
+
if "=" not in chunk:
|
| 66 |
+
continue
|
| 67 |
+
key, val = chunk.split("=", 1)
|
| 68 |
+
key = key.strip()
|
| 69 |
+
val = val.strip()
|
| 70 |
+
if not key:
|
| 71 |
+
continue
|
| 72 |
+
if val.endswith("°"):
|
| 73 |
+
val = val[:-1]
|
| 74 |
+
try:
|
| 75 |
+
if val.lower().startswith("0x"):
|
| 76 |
+
result[key] = int(val, 16)
|
| 77 |
+
else:
|
| 78 |
+
iv = int(val)
|
| 79 |
+
result[key] = iv
|
| 80 |
+
continue
|
| 81 |
+
except Exception:
|
| 82 |
+
pass
|
| 83 |
+
try:
|
| 84 |
+
fv = float(val)
|
| 85 |
+
result[key] = fv
|
| 86 |
+
continue
|
| 87 |
+
except Exception:
|
| 88 |
+
pass
|
| 89 |
+
result[key] = val
|
| 90 |
+
return result
|
gitingest.sh
ADDED
|
@@ -0,0 +1,9 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
#!/bin/sh
|
| 2 |
+
# run from repository root folder
|
| 3 |
+
gitingest . \
|
| 4 |
+
--include-pattern "*.py" \
|
| 5 |
+
--include-pattern "README.md" \
|
| 6 |
+
--include-pattern "requirements.txt" \
|
| 7 |
+
--exclude-pattern "LICENSE" \
|
| 8 |
+
--exclude-pattern "*/__pycache__/*" \
|
| 9 |
+
--output out_gitingest/differ_hug_01.txt
|