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zCGw%Y7j?dcD7JMzJ)LI(u+9S_f4w`UqU76M^JRaSf>iP|n0@c;h!BcA)A?skrH__L;UhAC_g~=aChIJm!qnfqH5Xy<_QrEQGvO}ti-4uu2ZlOM( zPo<~cH#Lu#8*h+N2Dz_f29x(T7nl%4kaukbcviLT=HES%LTqe9xKN@jRjB;^O%Ihc zX}bj#i(V0$X~!>Uz0&Yu^`5eo58qDT#Q*DTMm{I-+L{>q($f6g+t}Q-dhgp3&P%G) zk-QmHNpcx#8KdRUEF$0MU@II`KR19!HSe|tmTd->>bd#YwbBJ$xBf)$1LlcN83R

Lambda Lambda Lambda
-
-
-
<function <lambda> at 0x7fdad4e062a0>
+
 
-
<function <lambda> at 0x7fdad4e06340>
+
<function <lambda> at 0x7fbb647f6020>
 1
 3
 6
@@ -1326,7 +1326,7 @@ 

Creating arrays in python -
-
-
[[0.5476759  0.04201148 0.71861984]
- [0.1454874  0.20656186 0.95939429]
- [0.42694521 0.12219024 0.58754432]]
-[0.5476759  0.1454874  0.42694521]
-[0.45501144 0.4332491  0.21397559]
+
[[0.20114173 0.22052675 0.50508075]
+ [0.43953453 0.70936523 0.39352461]
+ [0.81473398 0.88280938 0.46015632]]
+[0.20114173 0.43953453 0.81473398]
+[0.64330352 0.31148072 0.4327842 ]
 
diff --git a/blog/differential-equations.html b/blog/differential-equations.html index f3af956..adca8b3 100644 --- a/blog/differential-equations.html +++ b/blog/differential-equations.html @@ -1618,7 +1618,7 @@

Linear algebra approaches to solving systems of constant coefficient ODEs

-
/tmp/ipykernel_1910/2289625004.py:4: DeprecationWarning: `row_stack` alias is deprecated. Use `np.vstack` directly.
+
/tmp/ipykernel_1896/2289625004.py:4: DeprecationWarning: `row_stack` alias is deprecated. Use `np.vstack` directly.
   T = np.row_stack([t, t])
 
diff --git a/blog/interpolation.html b/blog/interpolation.html index 5ced758..aabcb4d 100644 --- a/blog/interpolation.html +++ b/blog/interpolation.html @@ -916,9 +916,9 @@

Interpolation with splines

- -
-
/tmp/ipykernel_1991/1343167527.py:6: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
+
/tmp/ipykernel_1976/1343167527.py:6: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
   print(np.trapz(y2, x2))
 
@@ -1363,7 +1363,7 @@

Combining numerical data with quad
/tmp/ipykernel_1991/1681875887.py:13: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
+
/tmp/ipykernel_1976/1681875887.py:13: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
   print(np.trapz(yfine, xfine))
 
@@ -1774,7 +1774,7 @@

The trapezoidal method of integration -
time elapsed = 0.0007312297821044922 sec
+
time elapsed = 0.0010030269622802734 sec
 1.9999983517708524
 
@@ -1795,7 +1795,7 @@

The trapezoidal method of integration -
time elapsed = 0.0001850128173828125 sec
+
time elapsed = 0.00022840499877929688 sec
 1.9999934070923728
 
@@ -1814,7 +1814,7 @@

The trapezoidal method of integration -
time elapsed = 8.893013000488281e-05 sec
+
time elapsed = 7.390975952148438e-05 sec
 1.999993407092373
 
@@ -2009,7 +2009,7 @@

Function integration by the Romberg method
/tmp/ipykernel_1991/1760157840.py:9: DeprecationWarning: `scipy.integrate.romberg` is deprecated as of SciPy 1.12.0and will be removed in SciPy 1.15.0. Please use`scipy.integrate.quad` instead.
+
/tmp/ipykernel_1976/1760157840.py:9: DeprecationWarning: `scipy.integrate.romberg` is deprecated as of SciPy 1.12.0and will be removed in SciPy 1.15.0. Please use`scipy.integrate.quad` instead.
   print(romberg(np.sin, a, b))
 
@@ -2038,7 +2038,9 @@

Solve the quadratic equation
[(-b - sqrt(-4*a*c + b**2))/(2*a), (-b + sqrt(-4*a*c + b**2))/(2*a)]
-⎡        _____________          _____________⎤
+
+
+
-
/tmp/ipykernel_2021/4022852329.py:19: RuntimeWarning: The iteration is not making good progress, as measured by the 
+
/tmp/ipykernel_2004/4022852329.py:19: RuntimeWarning: The iteration is not making good progress, as measured by the 
   improvement from the last ten iterations.
   y1, = fsolve(tmp, x0)
-/tmp/ipykernel_2021/4022852329.py:19: RuntimeWarning: The iteration is not making good progress, as measured by the 
+/tmp/ipykernel_2004/4022852329.py:19: RuntimeWarning: The iteration is not making good progress, as measured by the 
   improvement from the last five Jacobian evaluations.
   y1, = fsolve(tmp, x0)
 
diff --git a/blog/plotting.html b/blog/plotting.html index 345fb93..e7e8391 100644 --- a/blog/plotting.html +++ b/blog/plotting.html @@ -1173,7 +1173,7 @@

Peak annotation in matplotlib -
/tmp/ipykernel_2075/256016704.py:19: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
+
/tmp/ipykernel_2059/256016704.py:19: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
   area = np.trapz(i[ind], w[ind])
 
diff --git a/blog/programming.html b/blog/programming.html index 1d25248..dd962d9 100644 --- a/blog/programming.html +++ b/blog/programming.html @@ -795,7 +795,7 @@

Unique entries in a vector -
['abracadabra', 'c', 'd', 'a', 'b']
+
['d', 'b', 'a', 'c', 'abracadabra']
 
@@ -1168,12 +1168,12 @@

About your python -
uname_result(system='Linux', node='fv-az1205-349', release='6.5.0-1022-azure', version='#23~22.04.1-Ubuntu SMP Thu May  9 17:59:24 UTC 2024', machine='x86_64')
+
uname_result(system='Linux', node='fv-az1109-780', release='6.5.0-1023-azure', version='#24~22.04.1-Ubuntu SMP Wed Jun 12 19:55:26 UTC 2024', machine='x86_64')
 Linux
 ('64bit', 'ELF')
 x86_64
-fv-az1205-349
-Linux-6.5.0-1022-azure-x86_64-with-glibc2.35
+fv-az1109-780
+Linux-6.5.0-1023-azure-x86_64-with-glibc2.35
 x86_64
 ('main', 'Jun 25 2024 18:25:01')
 3.11.9
@@ -1238,7 +1238,7 @@ 

About your python
initially inside /home/runner/work/pycse/pycse/pycse-jb/pycse___python_computations_in_science_and_engineering/blog
 inside /home/runner/work/pycse/pycse/pycse-jb/pycse___python_computations_in_science_and_engineering/blog/data
-['PT.txt', 'example4.xls', 'antoine_data.dat', 'example4.xlsx', 'test.docx', 'debug.txt', 'antoine_database.mat', 'testdata.txt', 'gc-data-21.txt', 'debug-3.txt', 'example3.xls', 'debug-2.txt', 'raman.txt', 'example.xlsx', 'debug-4.txt', 'example2.xls']
+['example4.xlsx', 'antoine_data.dat', 'debug-4.txt', 'debug-2.txt', 'example.xlsx', 'example2.xls', 'example4.xls', 'test.docx', 'antoine_database.mat', 'gc-data-21.txt', 'debug-3.txt', 'raman.txt', 'PT.txt', 'testdata.txt', 'example3.xls', 'debug.txt']
 Exception caught:  <class 'Exception'>
 Running final code
 finally inside /home/runner/work/pycse/pycse/pycse-jb/pycse___python_computations_in_science_and_engineering/blog
diff --git a/blog/statistics.html b/blog/statistics.html
index 9af8be1..9577662 100644
--- a/blog/statistics.html
+++ b/blog/statistics.html
@@ -1124,9 +1124,9 @@ 

Addition and subtraction -../_images/70a6f807ae33389814ac8aebfde4344d76f972a0d186005f7e6899ba2b46584e.png -
0.5019639801268565
-0.5016767590391439
+../_images/5bde168daa4140145b77ff8f26f9188ec2595dca480eb7d4605a76365d0af5cc.png
+
0.5061913303232849
+0.4953129860305366
 0.5
 
@@ -1150,7 +1150,7 @@

Multiplication -
-
0.294772574854224
+
0.29602035868747906
 0.2898598062432779
 
@@ -1194,7 +1194,7 @@

exponents -
1.7377897715068298
+
1.7029730713441298
 1.7236544062149992
 
@@ -1208,7 +1208,7 @@

exponents -
0.007539640663547944
+
0.007445647369221156
 0.007483647387490024
 
@@ -1236,7 +1236,7 @@

the chain rule in error propagation -
3.6301096459668702
+
3.6348443621705666
 3.6180105030251086
 
@@ -1494,7 +1494,7 @@

Another approach to error propagation -
Ca(exit) = 0.005011172235348289+/-0.00016896237271451172
+
Ca(exit) = 0.005010409261084926+/-0.00016694459925285874
 
@@ -1526,7 +1526,7 @@

Random thoughts -
n = 0.30248634939616625
+
n = 0.39944543050232983
 you lose.
 
@@ -1551,10 +1551,10 @@

Random thoughts -
You won 5049 times (50.490000%)
+
You won 5057 times (50.570000%)
 
-../_images/251095d1355e94ddb6161af56a7934f03d4f1e807116332c65d3617906ff196d.png +../_images/3d2002be363e512ec01a2e1925e6494a9ba5d7f76271b5cad4a77b1b108e14c2.png

As you can see you win slightly more than you lost.

@@ -1570,10 +1570,10 @@

Random thoughts -

What fraction of points lie between plus and minus one standard deviation of the mean?

@@ -1638,8 +1638,8 @@

Random thoughts -
-
/tmp/ipykernel_2167/2870202885.py:20: RuntimeWarning: divide by zero encountered in log
+
/tmp/ipykernel_2151/2870202885.py:20: RuntimeWarning: divide by zero encountered in log
   diffg += R * T * x1 * np.log(x2 * P / P0)
-/tmp/ipykernel_2167/2870202885.py:20: RuntimeWarning: invalid value encountered in multiply
+/tmp/ipykernel_2151/2870202885.py:20: RuntimeWarning: invalid value encountered in multiply
   diffg += R * T * x1 * np.log(x2 * P / P0)
 
@@ -1576,9 +1576,9 @@

The Gibbs free energy of a reacting mixture and the equilibrium composition<
0.46959618248998036
 
-
-
/tmp/ipykernel_2167/4291268947.py:40: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
+
/tmp/ipykernel_2151/4291268947.py:40: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
   eta_numerical = (np.trapz(k * Ca * 4 * np.pi * (r**2), r)
-/tmp/ipykernel_2167/4291268947.py:41: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
+/tmp/ipykernel_2151/4291268947.py:41: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
   / np.trapz(k * CAs * 4 * np.pi * (r**2), r))
 
@@ -3698,9 +3698,9 @@

What region is a point in -
/tmp/ipykernel_2167/339476128.py:64: RuntimeWarning: invalid value encountered in scalar divide
+
/tmp/ipykernel_2151/339476128.py:64: RuntimeWarning: invalid value encountered in scalar divide
   m1 = y1 / x1
-/tmp/ipykernel_2167/339476128.py:64: RuntimeWarning: divide by zero encountered in scalar divide
+/tmp/ipykernel_2151/339476128.py:64: RuntimeWarning: divide by zero encountered in scalar divide
   m1 = y1 / x1
 
diff --git a/book/00-intro.html b/book/00-intro.html index 0dcfeef..508cc58 100644 --- a/book/00-intro.html +++ b/book/00-intro.html @@ -816,7 +816,7 @@

scipy#< 906177281, 1325485569, 1443712780, 1963025921, -2063369727, 6098177, 553716061, 856765187, 588325653, 53813521, 16973318, -704760322, 1593690581, -470014715, 872205571, - 27328168, 50016, 730350720, -802356008, 80751876], + 27328168, 50016, 92013158, 678, 683], dtype=int32), 'alist': array([0.00000000e+00, 2.25000000e+00, 7.67216743e-04, 2.10783652e-03, 4.30872995e-03, 7.48622952e-03, 1.17307690e-02, 1.71108947e-02, @@ -843,20 +843,20 @@

scipy#< 2.14321575e-312, 2.10077583e-312, 2.01589600e-312, 2.33419537e-312, 2.01589600e-312, 2.33419537e-312, 2.22809558e-312, 2.14321575e-312, 2.41907520e-312, 2.33419537e-312, 9.97338022e-313, 2.35541533e-312, - 2.27053550e-312, 1.64726287e+265]), - 'rlist': array([2.05718868e-001, 9.12099070e-001, 6.94227648e-310, 6.94227600e-310, - 6.94227580e-310, 6.94227648e-310, 6.94227600e-310, 6.94227580e-310, - 6.94227648e-310, 6.94227600e-310, 6.94227581e-310, 6.94227648e-310, - 6.94227600e-310, 6.94227581e-310, 6.94227648e-310, 6.94227600e-310, - 6.94227581e-310, 6.94227648e-310, 6.94227600e-310, 6.94227581e-310, - 6.94227648e-310, 6.94227600e-310, 6.94227581e-310, 6.94227648e-310, - 6.94227600e-310, 6.94227581e-310, 6.94227648e-310, 6.94227600e-310, - 6.94227581e-310, 6.94227648e-310, 6.94227600e-310, 6.94227581e-310, - 6.94227648e-310, 6.94227600e-310, 6.94227581e-310, 6.94227648e-310, - 6.94227600e-310, 6.94227581e-310, 6.94227648e-310, 6.94227600e-310, - 6.94227581e-310, 6.94227648e-310, 6.94227600e-310, 6.94227581e-310, - 6.94227648e-310, 6.94227600e-310, 6.94227581e-310, 6.94227648e-310, - 6.94227600e-310, 6.94227581e-310]), + 2.27053550e-312, 5.37710476e+228]), + 'rlist': array([2.05718868e-001, 9.12099070e-001, 6.94724204e-310, 6.94724155e-310, + 6.94724136e-310, 6.94724204e-310, 6.94724155e-310, 6.94724136e-310, + 6.94724204e-310, 6.94724155e-310, 6.94724136e-310, 6.94724204e-310, + 6.94724155e-310, 6.94724136e-310, 6.94724204e-310, 6.94724155e-310, + 6.94724136e-310, 6.94724204e-310, 6.94724155e-310, 6.94724136e-310, + 6.94724204e-310, 6.94724155e-310, 6.94724136e-310, 6.94724204e-310, + 6.94724155e-310, 6.94724136e-310, 6.94724204e-310, 6.94724155e-310, + 6.94724136e-310, 6.94724204e-310, 6.94724155e-310, 6.94724136e-310, + 6.94724204e-310, 6.94724155e-310, 6.94724136e-310, 6.94724204e-310, + 6.94724155e-310, 6.94724136e-310, 6.94724204e-310, 6.94724155e-310, + 6.94724136e-310, 6.94724204e-310, 6.94724155e-310, 6.94724136e-310, + 6.94724204e-310, 6.94724155e-310, 6.94724136e-310, 6.94724204e-310, + 6.94724155e-310, 6.94724136e-310]), 'elist': array([7.86630709e-09, 1.01263339e-14, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00, 0.00000000e+00, @@ -882,7 +882,7 @@

scipy#<

-
/tmp/ipykernel_2199/843280888.py:2: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
+
/tmp/ipykernel_2182/843280888.py:2: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
   (np.trapz(integrand(x1), x1) - I) / I
 
diff --git a/book/02-integration-1.html b/book/02-integration-1.html index 167c16d..728e3a5 100644 --- a/book/02-integration-1.html +++ b/book/02-integration-1.html @@ -727,7 +727,7 @@

numpy.trapz -
/tmp/ipykernel_2252/3604360318.py:4: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
+
/tmp/ipykernel_2229/3604360318.py:4: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
   np.trapz(y, x)
 
@@ -953,7 +953,7 @@

Estimating the volume of a plug flow reactor
/tmp/ipykernel_2252/4086341036.py:6: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
+
/tmp/ipykernel_2229/4086341036.py:6: DeprecationWarning: `trapz` is deprecated. Use `trapezoid` instead, or one of the numerical integration functions in `scipy.integrate`.
   vol = np.trapz(y[0:i+1], X[0:i+1])
 
@@ -990,7 +990,7 @@

Estimating the volume of a plug flow reactor
-
/tmp/ipykernel_2252/36719416.py:4: IntegrationWarning: The maximum number of subdivisions (50) has been achieved.
+
 
-
<matplotlib.legend.Legend at 0x7fcb597a9bd0>
+
<matplotlib.legend.Legend at 0x7f8db3355710>
 
../_images/0d992e05e05f92dc53b78d747da1fa725f1cb6fc66247847be3c6e338ba12bc2.png @@ -1114,7 +1114,7 @@

scipy.integrate.solve_ivp -
<matplotlib.legend.Legend at 0x7fcb574c5b90>
+
<matplotlib.legend.Legend at 0x7f8db10ba0d0>
 
../_images/0f3cb0f20de8a66563583063f2afeb51738e8b0db5b5ace82e7cb68a5289387e.png diff --git a/book/07-nla-1.html b/book/07-nla-1.html index c5fdadc..8488a6e 100644 --- a/book/07-nla-1.html +++ b/book/07-nla-1.html @@ -854,7 +854,7 @@

Derivatives of functions -
/tmp/ipykernel_2362/1845505028.py:6: DeprecationWarning: scipy.misc.derivative is deprecated in SciPy v1.10.0; and will be completely removed in SciPy v1.12.0. You may consider using findiff: https://github.com/maroba/findiff or numdifftools: https://github.com/pbrod/numdifftools
+
/tmp/ipykernel_2342/1845505028.py:6: DeprecationWarning: scipy.misc.derivative is deprecated in SciPy v1.10.0; and will be completely removed in SciPy v1.12.0. You may consider using findiff: https://github.com/maroba/findiff or numdifftools: https://github.com/pbrod/numdifftools
   derivative(f, x0, dx=1e-6), 3 * x0**2  # the numerical and analytical derivative
 
@@ -899,9 +899,9 @@

Derivatives of functions -
/tmp/ipykernel_2362/1563071673.py:7: DeprecationWarning: scipy.misc.derivative is deprecated in SciPy v1.10.0; and will be completely removed in SciPy v1.12.0. You may consider using findiff: https://github.com/maroba/findiff or numdifftools: https://github.com/pbrod/numdifftools
+
/tmp/ipykernel_2342/1563071673.py:7: DeprecationWarning: scipy.misc.derivative is deprecated in SciPy v1.10.0; and will be completely removed in SciPy v1.12.0. You may consider using findiff: https://github.com/maroba/findiff or numdifftools: https://github.com/pbrod/numdifftools
   d0 = derivative(func, x0, dx=dx)
-/tmp/ipykernel_2362/1563071673.py:10: DeprecationWarning: scipy.misc.derivative is deprecated in SciPy v1.10.0; and will be completely removed in SciPy v1.12.0. You may consider using findiff: https://github.com/maroba/findiff or numdifftools: https://github.com/pbrod/numdifftools
+/tmp/ipykernel_2342/1563071673.py:10: DeprecationWarning: scipy.misc.derivative is deprecated in SciPy v1.10.0; and will be completely removed in SciPy v1.12.0. You may consider using findiff: https://github.com/maroba/findiff or numdifftools: https://github.com/pbrod/numdifftools
   dnew = derivative(func, x0, dx=dx)
 
@@ -937,9 +937,9 @@

Derivatives of functions - -
/tmp/ipykernel_2362/1619064557.py:9: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
+
/tmp/ipykernel_2342/1619064557.py:9: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
   print(f'{float(ans):1.2f}')
 
@@ -1212,7 +1212,7 @@

Parameterized objective functions -
/tmp/ipykernel_2362/2335501430.py:17: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
+
/tmp/ipykernel_2342/2335501430.py:17: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)
   fa_exit[i] = ans
 
diff --git a/book/08-nla-2.html b/book/08-nla-2.html index b2db8de..451493d 100644 --- a/book/08-nla-2.html +++ b/book/08-nla-2.html @@ -721,7 +721,7 @@

Cubic equations of state -
-
-
-
@@ -1095,12 +1095,12 @@

Systems of nonlinear equations -
Failed at guess [-7.973799239785311, 6.397399727103775].
+
Failed at guess [-9.394454424418573, -0.7907650725827731].
 The iteration is not making good progress, as measured by the 
-  improvement from the last ten iterations.
+  improvement from the last five Jacobian evaluations.
 
-
-
-
/tmp/ipykernel_2453/2917585576.py:4: DeprecationWarning: scipy.misc.derivative is deprecated in SciPy v1.10.0; and will be completely removed in SciPy v1.12.0. You may consider using findiff: https://github.com/maroba/findiff or numdifftools: https://github.com/pbrod/numdifftools
+
/tmp/ipykernel_2425/2917585576.py:4: DeprecationWarning: scipy.misc.derivative is deprecated in SciPy v1.10.0; and will be completely removed in SciPy v1.12.0. You may consider using findiff: https://github.com/maroba/findiff or numdifftools: https://github.com/pbrod/numdifftools
   return derivative(f, x, dx=1e-6)
 
@@ -707,9 +707,9 @@

Newton-Raphson method of minima finding -
-

You can see by inspection that solve must not be using an inverse to solve these equations; if it did, it would take much longer to solve them. It is remarkable that we can solve ~5000 simultaneous equations here in about 1 second!

diff --git a/book/17-linear-algebra-2.html b/book/17-linear-algebra-2.html index e2c85ed..6fd979a 100644 --- a/book/17-linear-algebra-2.html +++ b/book/17-linear-algebra-2.html @@ -721,7 +721,7 @@

Interpolation libraries

-
/tmp/ipykernel_2625/3098855599.py:5: RuntimeWarning: The iteration is not making good progress, as measured by the 
+
/tmp/ipykernel_2601/3098855599.py:5: RuntimeWarning: The iteration is not making good progress, as measured by the 
   improvement from the last ten iterations.
   fsolve(obj, 7)
 
@@ -817,9 +817,9 @@

Eigenvalues -
array([[1.17034789, 1.12852431, 1.13538358],
-       [1.12852431, 0.20479578, 0.93771711],
-       [1.13538358, 0.93771711, 1.85899232]])
+
array([[1.85294056, 0.3741679 , 1.16139508],
+       [0.3741679 , 1.40558989, 1.5372893 ],
+       [1.16139508, 1.5372893 , 0.74941638]])
 
@@ -834,7 +834,7 @@

Eigenvalues -
array([ 1.44373348, -0.4636214 , -0.00922275])
+
array([ 3.44746413, -0.43591453, -0.89261489])
 
@@ -846,7 +846,8 @@

Eigenvalues -
array([1.78350089, 0.51593133, 0.1015698 ])
+
array([1.55633319+0.j       , 0.09420867+0.2004125j,
+       0.09420867-0.2004125j])
 
@@ -860,7 +861,7 @@

Eigenvalues -
(np.float64(0.9708893270114745), np.float64(0.9708893270114745))
+
(np.float64(2.1189347076957206), np.float64(2.1189347076957206))
 
@@ -874,7 +875,7 @@

Eigenvalues -
np.float64(0.9708893270114737)
+
np.float64(2.1189347076957206)
 
@@ -888,7 +889,7 @@

Eigenvalues -
(np.float64(0.006173210069733394), np.float64(0.006173210069733389))
+
(np.float64(1.3414213957101666), np.float64(1.3414213957101675))
 
@@ -902,10 +903,10 @@

Eigenvalues -
(array([ 1.44373348, -0.4636214 , -0.00922275]),
- array([[ 0.55569268,  0.82770729, -0.07814269],
-        [ 0.46797412, -0.38909203, -0.79347817],
-        [ 0.68717237, -0.40436126,  0.60356119]]))
+
(array([ 3.44746413, -0.43591453, -0.89261489]),
+ array([[ 0.36772665,  0.88027133,  0.29983245],
+        [ 0.53632987,  0.06264024, -0.84168074],
+        [ 0.759689  , -0.47031754,  0.44908132]]))
 
@@ -919,7 +920,7 @@

Eigenvalues -
(np.float64(0.9999999999999997), np.float64(0.9999999999999999))
+
(np.float64(1.0000000000000002), np.float64(0.9999999999999999))
 
@@ -931,8 +932,8 @@

Eigenvalues -
(array([0.44983279, 0.45915949, 0.67329851]),
- array([ 0.80227213,  1.19498873, -0.11281721]))
+
(array([1.10018882, 1.16497644, 2.43475858]),
+ array([1.26772444, 3.03470383, 1.0336616 ]))
 
@@ -945,8 +946,8 @@

Eigenvalues - @@ -1007,10 +1008,10 @@

Eigenvalues -
(array([-0.4636214 , -0.00922275,  1.44373348]),
- array([[ 0.82770729, -0.07814269,  0.55569268],
-        [-0.38909203, -0.79347817,  0.46797412],
-        [-0.40436126,  0.60356119,  0.68717237]]))
+
(array([-0.89261489, -0.43591453,  3.44746413]),
+ array([[ 0.29983245,  0.88027133,  0.36772665],
+        [-0.84168074,  0.06264024,  0.53632987],
+        [ 0.44908132, -0.47031754,  0.759689  ]]))
 
diff --git a/book/18-linear-regression.html b/book/18-linear-regression.html index e950097..b1ac889 100644 --- a/book/18-linear-regression.html +++ b/book/18-linear-regression.html @@ -1134,11 +1134,10 @@

LASSO regression

Now you can see that we do very well in estimating the values. The length scale here might even be considered too short, since it is evident we are fitting trends in the noise.

@@ -861,7 +861,7 @@

GPR by example
Known data step size is 0.05
 

-../_images/01e866ae06e9106b01ee314feaede8249138dcff900194cf5b04505059389c33.png +../_images/c291cdf1da7c22fd6b0138dbc39780ad522b7667421e2778c67cdec9ae67dbea.png

@@ -950,7 +950,7 @@

Overfitting in GPR -../_images/896e167518fec75ed78f94ae1f96026d74318b26ac7341edea6dd206202f384e.png +../_images/9e803b6dc9401c783cd9fd590de03f3e943b231f8ad868b11532d644df84072a.png

@@ -991,10 +991,10 @@

Finding the hyperparameters in GPR -
array([1.        , 0.06584185])
+
array([1.        , 0.07049851])
 
-../_images/c36b0cae2601e3cefedab1829c398b0cc7aaa57d4d998813d71d08c27332a536.png +../_images/8f3a7bf246cdc8d2356396ea9d6fb00a2b79ac3bad200af6acc399c384e1e598.png

As before, we setup a log likelihood function and maximize it to get estimates for the parameters.

@@ -1090,15 +1090,15 @@

An example with a linear kernel
  message: Optimization terminated successfully.
   success: True
    status: 0
-      fun: 7.635285850604611
-        x: [-4.468e-06  6.449e-01 -1.488e+00]
-      nit: 28
-      jac: [ 2.801e-06  9.120e-06 -9.477e-06]
- hess_inv: [[ 6.097e+00  5.913e-05  1.944e-02]
-            [ 5.913e-05  3.121e-02  1.668e-02]
-            [ 1.944e-02  1.668e-02  4.863e-02]]
-     nfev: 148
-     njev: 37
+      fun: 7.472045608184835
+        x: [ 2.014e-05  6.449e-01 -1.482e+00]
+      nit: 30
+      jac: [-2.861e-06 -5.007e-06  5.841e-06]
+ hess_inv: [[ 3.680e+00  5.002e-03  1.012e-02]
+            [ 5.002e-03  2.671e-02  1.830e-02]
+            [ 1.012e-02  1.830e-02  5.557e-02]]
+     nfev: 152
+     njev: 38
 

@@ -1126,7 +1126,7 @@

An example with a linear kernel -../_images/2db3bd6abce984baf6fd32595ea8a55cad60af721e054deb3bd7e5ca9ce187ea.png +../_images/4ad898a2b1fbacb9a6f447f639a3a1799a56ffdd5d56e7b122e996dc7c179c64.png

Note that now, we get linear extrapolation, because we are using a linear kernel. Note also that the hyperparameters do not mean anything in particular to us. They do not include the slope or intercept. We can work those out pretty easily though. The intercept is just a prediction at \(x=0\):

@@ -1139,7 +1139,7 @@

An example with a linear kernel - @@ -1204,7 +1204,7 @@

Combining kernels -../_images/56ea7954aea57ab2046185ac3cf336971f0021ccd8c1fad01b81f85d8cd7194a.png +../_images/9451033f12106bf9544e28e31ebd872f5048b24ddc2dabe62035f568790fa329.png

This looks like a sin wave superimposed on a line. A periodic kernel is defined as

@@ -1226,22 +1226,22 @@

Combining kernels -

Note that we get oscillatory + linear extrapolation behavior!

diff --git a/docs/about.html b/docs/about.html index d153f27..ec842f4 100644 --- a/docs/about.html +++ b/docs/about.html @@ -582,12 +582,12 @@

About pycse -
uname_result(system='Linux', node='fv-az1205-349', release='6.5.0-1022-azure', version='#23~22.04.1-Ubuntu SMP Thu May  9 17:59:24 UTC 2024', machine='x86_64')
+
uname_result(system='Linux', node='fv-az1109-780', release='6.5.0-1023-azure', version='#24~22.04.1-Ubuntu SMP Wed Jun 12 19:55:26 UTC 2024', machine='x86_64')
 Linux
 ('64bit', 'ELF')
 x86_64
-fv-az1205-349
-Linux-6.5.0-1022-azure-x86_64-with-glibc2.35
+fv-az1109-780
+Linux-6.5.0-1023-azure-x86_64-with-glibc2.35
 x86_64
 ('main', 'Jun 25 2024 18:25:01')
 3.11.9
diff --git a/docs/beginner.html b/docs/beginner.html
index 17f9a19..e23463f 100644
--- a/docs/beginner.html
+++ b/docs/beginner.html
@@ -870,7 +870,7 @@ 

A better fsolve -
/tmp/ipykernel_2800/1685161423.py:2: RuntimeWarning: The iteration is not making good progress, as measured by the 
+
/tmp/ipykernel_2772/1685161423.py:2: RuntimeWarning: The iteration is not making good progress, as measured by the 
   improvement from the last ten iterations.
   fsolve(f, 2.5)
 
diff --git a/docs/execution-statistics.html b/docs/execution-statistics.html index b484e62..e61d84c 100644 --- a/docs/execution-statistics.html +++ b/docs/execution-statistics.html @@ -513,225 +513,225 @@

Build statistics

blog/basic-python

-

2024-07-10 13:46

+

2024-07-10 14:57

force

-

3.98

+

3.09

✅

blog/data-analysis

-

2024-07-10 13:46

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blog/differential-equations

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blog/interpolation

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blog/linear-algebra

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blog/math

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blog/nonlinear-algebra

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blog/optimization

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2024-07-10 13:46

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blog/plotting

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2024-07-10 13:46

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blog/programming

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2024-07-10 13:46

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blog/statistics

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2024-07-10 13:46

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force

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blog/units

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blog/worked-examples

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force

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book/00-intro

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force

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book/01-jupyter

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book/02-integration-1

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force

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book/03-fode-1

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2024-07-10 13:47

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force

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book/04-fode-2

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2024-07-10 13:47

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force

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book/05-nth-odes

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2024-07-10 13:47

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force

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book/07-nla-1

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2024-07-10 13:47

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force

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book/08-nla-2

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2024-07-10 13:47

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force

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book/09-bvp

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book/10-min-max

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2024-07-10 13:47

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book/11-regression

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book/12-nonlinear-regression-2

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book/13-constrained-optimization

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book/15-intro-linear-algebra

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book/16-linear-algebra

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2024-07-10 13:49

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2024-07-10 15:00

force

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book/17-linear-algebra-2

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2024-07-10 13:49

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force

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book/18-linear-regression

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2024-07-10 13:49

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force

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book/20-autograd-applications

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force

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book/21-machine-learning

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2024-07-10 13:49

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book/22-ml-2

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2024-07-10 13:50

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force

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book/23-gp

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2024-07-10 13:50

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docs/about

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force

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docs/beginner

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docs/utils

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diff --git a/searchindex.js b/searchindex.js index 2d1dfdb..710427c 100644 --- a/searchindex.js +++ b/searchindex.js @@ -1 +1 @@ -Search.setIndex({"alltitles": {"2-point vs. 4-point numerical derivatives": [[6, "point-vs-4-point-numerical-derivatives"]], "2d arrays": [[0, "d-arrays"]], "3D arrays": [[0, "id2"]], "A better fsolve": [[38, "a-better-fsolve"]], "A harder problem": [[3, "a-harder-problem"]], "A nonlinear BVP": [[2, "a-nonlinear-bvp"]], "A novel way to numerically estimate the derivative of a function - complex-step derivative approximation": [[6, "a-novel-way-to-numerically-estimate-the-derivative-of-a-function-complex-step-derivative-approximation"]], "A simple first order ode evaluated at specific points": [[2, "a-simple-first-order-ode-evaluated-at-specific-points"]], "A worked bvp problem": [[22, "a-worked-bvp-problem"]], "A worked example": [[20, "a-worked-example"]], "About pycse": [[37, "about-pycse"]], "About the Python packages": [[37, "about-the-python-packages"]], "About your python": [[10, "about-your-python"]], "Addition and subtraction": [[11, "addition-and-subtraction"], [27, "addition-and-subtraction"]], "Advanced function creation": [[0, "advanced-function-creation"]], "Advanced mathematical operators": [[0, "advanced-mathematical-operators"]], "Advanced selection of \u03bb": [[30, "advanced-selection-of"]], "Advanced string formatting": [[0, "advanced-string-formatting"]], "An application": [[26, "an-application"]], "An example of polynomial fitting": [[30, "an-example-of-polynomial-fitting"]], "An example with a linear kernel": [[34, "an-example-with-a-linear-kernel"]], "An example with curve_fit": [[24, "an-example-with-curve-fit"]], "Analytically solve a simple ODE": [[6, "analytically-solve-a-simple-ode"]], "Another approach to error propagation": [[11, "another-approach-to-error-propagation"]], "Another example": [[5, "another-example"], [5, "id2"]], "Another interpretation of neural networks": [[32, "another-interpretation-of-neural-networks"]], "Another way to parameterize an ODE - nested function": [[2, "another-way-to-parameterize-an-ode-nested-function"]], "Application in linear boundary value problems": [[28, "application-in-linear-boundary-value-problems"]], "Application in reaction engineering - Steady state CSTR": [[28, "application-in-reaction-engineering-steady-state-cstr"]], "Application to independent chemical reactions.": [[5, "application-to-independent-chemical-reactions"]], "Application to maximizing profit in a PFR": [[23, "application-to-maximizing-profit-in-a-pfr"]], "Application to roots of a polynomial": [[29, "application-to-roots-of-a-polynomial"]], "Applications": [[16, "applications"]], "Applications of lambda functions": [[0, "applications-of-lambda-functions"]], "Applications of linear algebra": [[28, "applications-of-linear-algebra"]], "Applications to optimization": [[29, "applications-to-optimization"]], "Are averages different": [[11, "are-averages-different"]], "Avoiding indexing in lists": [[38, "avoiding-indexing-in-lists"]], "Basic math": [[0, "basic-math"]], "Basic python usage": [[0, "basic-python-usage"]], "Basic statistics": [[11, "basic-statistics"]], "Better interpolate than never": [[3, "better-interpolate-than-never"]], "Boundary value equations": [[2, "boundary-value-equations"]], "Boundary value problem in heat conduction": [[2, "boundary-value-problem-in-heat-conduction"]], "Boundary value problems": [[22, "boundary-value-problems"]], "Brief comparison of GPR and NN": [[34, "brief-comparison-of-gpr-and-nn"]], "Brief intro to regular expressions": [[10, "brief-intro-to-regular-expressions"]], "Brief review": [[18, "brief-review"]], "Build statistics": [[39, "build-statistics"]], "CO": [[13, "co"]], "CO2": [[13, "co2"]], "Calculating a bubble point pressure of a mixture": [[13, "calculating-a-bubble-point-pressure-of-a-mixture"]], "Calling lapack directly from scipy": [[5, "calling-lapack-directly-from-scipy"]], "Choice of activation functions in neural networks": [[33, "choice-of-activation-functions-in-neural-networks"]], "Combining kernels": [[34, "combining-kernels"]], "Combining numerical data with quad": [[6, "combining-numerical-data-with-quad"]], "Compare the equilibrium constants": [[13, "compare-the-equilibrium-constants"]], "Compare to a loop solution": [[10, "compare-to-a-loop-solution"]], "Compressibility variation from an implicit equation of state": [[31, "compressibility-variation-from-an-implicit-equation-of-state"]], "Compute areas": [[13, "compute-areas"]], "Compute gas phase pressures of each species": [[13, "compute-gas-phase-pressures-of-each-species"]], "Compute mole fractions and partial pressures": [[13, "compute-mole-fractions-and-partial-pressures"]], "Compute the t-score for our data": [[11, "compute-the-t-score-for-our-data"]], "Computing a pipe diameter": [[13, "computing-a-pipe-diameter"]], "Computing determinants from matrix decompositions": [[5, "computing-determinants-from-matrix-decompositions"]], "Computing equilibrium constants": [[13, "computing-equilibrium-constants"]], "Computing the pressure from a solid equation of state": [[31, "computing-the-pressure-from-a-solid-equation-of-state"]], "Concentration profile in a particle": [[22, "concentration-profile-in-a-particle"]], "Concluding remarks": [[35, "concluding-remarks"]], "Conclusions": [[10, "conclusions"]], "Confidence interval on an average": [[11, "confidence-interval-on-an-average"]], "Confidence intervals on the parameters": [[30, "confidence-intervals-on-the-parameters"]], "Conservation of mass in chemical reactions": [[13, "conservation-of-mass-in-chemical-reactions"]], "Constrained minimization": [[26, "constrained-minimization"]], "Constrained minimization to find equilibrium compositions": [[13, "constrained-minimization-to-find-equilibrium-compositions"]], "Constrained optimization": [[8, "constrained-optimization"], [26, 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help": [[15, "debugging-getting-help"]], "Defining functions in python": [[0, "defining-functions-in-python"]], "Delay Differential Equations": [[2, "delay-differential-equations"]], "Derivatives by FFT": [[6, "derivatives-by-fft"]], "Derivatives by fitting a function and taking the analytical derivative": [[6, "derivatives-by-fitting-a-function-and-taking-the-analytical-derivative"]], "Derivatives by polynomial fitting": [[6, "derivatives-by-polynomial-fitting"]], "Derivatives of functions": [[20, "derivatives-of-functions"]], "Determining linear independence of a set of vectors": [[5, "determining-linear-independence-of-a-set-of-vectors"]], "Differential algebraic systems of equations": [[2, "differential-algebraic-systems-of-equations"]], "Differential equations": [[2, "differential-equations"]], "Diffusion": [[16, "diffusion"]], "Discussion": [[3, "discussion"]], "Division": [[11, "division"]], "Docker": [[41, "docker"]], "Documentation": [[40, "documentation"]], "Double-y axis 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Python": [[6, "integrating-equations-in-python"]], "Integrating functions in python": [[6, "integrating-functions-in-python"]], "Integrating the batch reactor mole balance": [[13, "integrating-the-batch-reactor-mole-balance"]], "Integration in Python": [[16, "integration-in-python"]], "Interpolate on f(t) then invert the interpolated number": [[3, "interpolate-on-f-t-then-invert-the-interpolated-number"]], "Interpolating between data points": [[29, "interpolating-between-data-points"]], "Interpolation": [[3, "interpolation"], [29, "interpolation"]], "Interpolation libraries": [[29, "interpolation-libraries"]], "Interpolation of data": [[3, "interpolation-of-data"]], "Interpolation schemes": [[34, "interpolation-schemes"]], "Interpolation with splines": [[3, "interpolation-with-splines"]], "Interpretation": [[11, "interpretation"]], "Introduction to Python and Jupyter": [[14, "introduction-to-python-and-jupyter"]], "Introduction to automatic differentiation": [[31, 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complex-step derivative approximation": [[6, "a-novel-way-to-numerically-estimate-the-derivative-of-a-function-complex-step-derivative-approximation"]], "A simple first order ode evaluated at specific points": [[2, "a-simple-first-order-ode-evaluated-at-specific-points"]], "A worked bvp problem": [[22, "a-worked-bvp-problem"]], "A worked example": [[20, "a-worked-example"]], "About pycse": [[37, "about-pycse"]], "About the Python packages": [[37, "about-the-python-packages"]], "About your python": [[10, "about-your-python"]], "Addition and subtraction": [[11, "addition-and-subtraction"], [27, "addition-and-subtraction"]], "Advanced function creation": [[0, "advanced-function-creation"]], "Advanced mathematical operators": [[0, "advanced-mathematical-operators"]], "Advanced selection of \u03bb": [[30, "advanced-selection-of"]], "Advanced string formatting": [[0, "advanced-string-formatting"]], "An application": [[26, "an-application"]], "An example of polynomial fitting": [[30, 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PFR": [[23, "application-to-maximizing-profit-in-a-pfr"]], "Application to roots of a polynomial": [[29, "application-to-roots-of-a-polynomial"]], "Applications": [[16, "applications"]], "Applications of lambda functions": [[0, "applications-of-lambda-functions"]], "Applications of linear algebra": [[28, "applications-of-linear-algebra"]], "Applications to optimization": [[29, "applications-to-optimization"]], "Are averages different": [[11, "are-averages-different"]], "Avoiding indexing in lists": [[38, "avoiding-indexing-in-lists"]], "Basic math": [[0, "basic-math"]], "Basic python usage": [[0, "basic-python-usage"]], "Basic statistics": [[11, "basic-statistics"]], "Better interpolate than never": [[3, "better-interpolate-than-never"]], "Boundary value equations": [[2, "boundary-value-equations"]], "Boundary value problem in heat conduction": [[2, "boundary-value-problem-in-heat-conduction"]], "Boundary value problems": [[22, "boundary-value-problems"]], "Brief comparison of GPR and NN": [[34, "brief-comparison-of-gpr-and-nn"]], "Brief intro to regular expressions": [[10, "brief-intro-to-regular-expressions"]], "Brief review": [[18, "brief-review"]], "Build statistics": [[39, "build-statistics"]], "CO": [[13, "co"]], "CO2": [[13, "co2"]], "Calculating a bubble point pressure of a mixture": [[13, "calculating-a-bubble-point-pressure-of-a-mixture"]], "Calling lapack directly from scipy": [[5, "calling-lapack-directly-from-scipy"]], "Choice of activation functions in neural networks": [[33, "choice-of-activation-functions-in-neural-networks"]], "Combining kernels": [[34, "combining-kernels"]], "Combining numerical data with quad": [[6, "combining-numerical-data-with-quad"]], "Compare the equilibrium constants": [[13, "compare-the-equilibrium-constants"]], "Compare to a loop solution": [[10, "compare-to-a-loop-solution"]], "Compressibility variation from an implicit equation of state": [[31, "compressibility-variation-from-an-implicit-equation-of-state"]], "Compute areas": [[13, "compute-areas"]], "Compute gas phase pressures of each species": [[13, "compute-gas-phase-pressures-of-each-species"]], "Compute mole fractions and partial pressures": [[13, "compute-mole-fractions-and-partial-pressures"]], "Compute the t-score for our data": [[11, "compute-the-t-score-for-our-data"]], "Computing a pipe diameter": [[13, "computing-a-pipe-diameter"]], "Computing determinants from matrix decompositions": [[5, "computing-determinants-from-matrix-decompositions"]], "Computing equilibrium constants": [[13, "computing-equilibrium-constants"]], "Computing the pressure from a solid equation of state": [[31, "computing-the-pressure-from-a-solid-equation-of-state"]], "Concentration profile in a particle": [[22, "concentration-profile-in-a-particle"]], "Concluding remarks": [[35, "concluding-remarks"]], "Conclusions": [[10, "conclusions"]], "Confidence interval on an average": [[11, "confidence-interval-on-an-average"]], "Confidence intervals on the parameters": [[30, "confidence-intervals-on-the-parameters"]], "Conservation of mass in chemical reactions": [[13, "conservation-of-mass-in-chemical-reactions"]], "Constrained minimization": [[26, "constrained-minimization"]], "Constrained minimization to find equilibrium compositions": [[13, "constrained-minimization-to-find-equilibrium-compositions"]], "Constrained optimization": [[8, "constrained-optimization"], [26, "constrained-optimization"]], "Constrained optimization with Lagrange multipliers and autograd": [[31, "constrained-optimization-with-lagrange-multipliers-and-autograd"]], "Construct the Lagrange multiplier augmented function": [[8, "construct-the-lagrange-multiplier-augmented-function"]], "Constructing arrays": [[27, "constructing-arrays"]], "Controlling the format of printed variables": [[0, "controlling-the-format-of-printed-variables"]], "Counting roots": [[7, "counting-roots"]], "Coupled nonlinear equations": [[7, "coupled-nonlinear-equations"]], "Creating arrays in python": [[0, "creating-arrays-in-python"]], "Creating your own functions": [[0, "creating-your-own-functions"]], "Cubic equations of state": [[21, "cubic-equations-of-state"]], "Curve fitting to get overlapping peak areas": [[13, "curve-fitting-to-get-overlapping-peak-areas"]], "Customizing plots after the fact": [[9, "customizing-plots-after-the-fact"]], "Data analysis": [[1, "data-analysis"]], "Debugging/getting help": [[15, "debugging-getting-help"]], "Defining functions in python": [[0, "defining-functions-in-python"]], "Delay Differential Equations": [[2, "delay-differential-equations"]], "Derivatives by FFT": [[6, "derivatives-by-fft"]], "Derivatives by fitting a function and taking the analytical derivative": [[6, "derivatives-by-fitting-a-function-and-taking-the-analytical-derivative"]], "Derivatives by polynomial fitting": [[6, "derivatives-by-polynomial-fitting"]], "Derivatives of functions": [[20, "derivatives-of-functions"]], "Determining linear independence of a set of vectors": [[5, "determining-linear-independence-of-a-set-of-vectors"]], "Differential algebraic systems of equations": [[2, "differential-algebraic-systems-of-equations"]], "Differential equations": [[2, "differential-equations"]], "Diffusion": [[16, "diffusion"]], "Discussion": [[3, "discussion"]], "Division": [[11, "division"]], "Docker": [[41, "docker"]], "Documentation": [[40, "documentation"]], "Double-y axis plot": [[9, "double-y-axis-plot"]], "Effects of outliers on regression": [[25, "effects-of-outliers-on-regression"]], "Efficiency": [[13, "efficiency"]], "Eigenvalues": [[29, "eigenvalues"]], "Entropy-temperature chart": [[13, "entropy-temperature-chart"]], "Equality constraints": [[26, "equality-constraints"]], "Equilibrium constant based on mole numbers": [[13, "equilibrium-constant-based-on-mole-numbers"]], "Equilibrium constant calculation": [[13, "equilibrium-constant-calculation"]], "Equilibrium yield of WGS": [[13, "equilibrium-yield-of-wgs"]], "Error tolerance in numerical solutions to ODEs": [[2, "error-tolerance-in-numerical-solutions-to-odes"]], "Estimate the value of f at t=2.": [[3, "estimate-the-value-of-f-at-t-2"]], "Estimating the boiling point of water": [[13, "estimating-the-boiling-point-of-water"]], "Estimating the volume of a plug flow reactor": [[16, "estimating-the-volume-of-a-plug-flow-reactor"]], "Estimating the volume of a solid": [[16, "estimating-the-volume-of-a-solid"]], "Euler\u2019s method": [[17, "euler-s-method"]], "Evaluating line integrals": [[31, "evaluating-line-integrals"]], "Exponential and logarithmic functions": [[0, "exponential-and-logarithmic-functions"]], "Families of solutions to FODEs": [[18, "families-of-solutions-to-fodes"]], "Fancy, built-in colors in Python": [[9, "fancy-built-in-colors-in-python"]], "Find the derivative, and solve for where it is zero": [[23, "find-the-derivative-and-solve-for-where-it-is-zero"]], "Find the minimum distance from a point to a curve.": [[8, "find-the-minimum-distance-from-a-point-to-a-curve"]], "Find the volume of a PFR": [[16, "find-the-volume-of-a-pfr"]], "Finding equilibrium composition by direct minimization of Gibbs free energy on mole numbers": [[13, "finding-equilibrium-composition-by-direct-minimization-of-gibbs-free-energy-on-mole-numbers"]], "Finding equilibrium conversion": [[13, "finding-equilibrium-conversion"]], "Finding independent reactions": [[28, "finding-independent-reactions"]], "Finding maxima": [[23, "finding-maxima"]], "Finding the hyperparameters in GPR": [[34, "finding-the-hyperparameters-in-gpr"]], "Finding the maximum power of a photovoltaic device.": [[8, "finding-the-maximum-power-of-a-photovoltaic-device"]], "Finding the nth root of a periodic function": [[7, "finding-the-nth-root-of-a-periodic-function"]], "Finding the partial derivatives": [[8, "finding-the-partial-derivatives"]], "First guess": [[2, "first-guess"]], "First-order differential equations": [[17, "first-order-differential-equations"]], "Fit a line to numerical data": [[1, "fit-a-line-to-numerical-data"]], "Fitting a numerical ODE solution to data": [[1, "fitting-a-numerical-ode-solution-to-data"]], "Flexible nonlinear models for regression": [[32, "flexible-nonlinear-models-for-regression"]], "Float comparisons": [[42, "float-comparisons"]], "Fourth-order Runge-Kutta method": [[17, "fourth-order-runge-kutta-method"]], "Function extrema": [[23, "function-extrema"]], "Function integration by the Romberg method": [[6, "function-integration-by-the-romberg-method"]], "Functions": [[15, "functions"]], "Functions on arrays of values": [[0, "functions-on-arrays-of-values"]], "Functions that return multiple values": [[15, "functions-that-return-multiple-values"]], "Functions with multiple arguments": [[15, "functions-with-multiple-arguments"]], "GPR Kernels": [[34, "gpr-kernels"]], "GPR by example": [[34, "gpr-by-example"]], "GPR libraries": [[34, "gpr-libraries"]], "Gaussian (radial basis function)": [[33, "gaussian-radial-basis-function"]], "Gaussian Process Regression": [[34, "gaussian-process-regression"]], "Gaussian process regression (GPR)": [[34, "gaussian-process-regression-gpr"]], "Getting a dictionary of counts": [[10, "getting-a-dictionary-of-counts"]], "Getting derivatives from implicit functions with autograd": [[31, "getting-derivatives-from-implicit-functions-with-autograd"]], "Gibbs energy minimization and the NIST webbook": [[13, "gibbs-energy-minimization-and-the-nist-webbook"]], "Graphical methods to help get initial guesses for multivariate nonlinear regression": [[1, "graphical-methods-to-help-get-initial-guesses-for-multivariate-nonlinear-regression"]], "H2O": [[13, "h2o"]], "Handling units with dimensionless equations": [[12, "handling-units-with-dimensionless-equations"]], "Handling units with the quantities module": [[12, "handling-units-with-the-quantities-module"]], "Headings and subheadings": [[15, "headings-and-subheadings"]], 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linear algebra for iteration": [[28, "leveraging-linear-algebra-for-iteration"]], "Limitations of solutions by integration": [[17, "limitations-of-solutions-by-integration"]], "Linear algebra": [[5, "linear-algebra"]], "Linear algebra approaches to solving systems of constant coefficient ODEs": [[2, "linear-algebra-approaches-to-solving-systems-of-constant-coefficient-odes"]], "Linear algebra functions of arrays": [[27, "linear-algebra-functions-of-arrays"]], "Linear equality constraints for atomic mass conservation": [[13, "linear-equality-constraints-for-atomic-mass-conservation"]], "Linear least squares fitting with linear algebra": [[1, "linear-least-squares-fitting-with-linear-algebra"]], "Linear programming example with inequality constraints": [[8, "linear-programming-example-with-inequality-constraints"]], "Linear regression": [[30, "linear-regression"]], "Linear regression with confidence intervals (updated)": [[1, "linear-regression-with-confidence-intervals-updated"]], "Linear regression with confidence intervals.": [[1, "linear-regression-with-confidence-intervals"]], "Machine learning regression - flexible models with parameters": [[34, "machine-learning-regression-flexible-models-with-parameters"]], "Make two plots!": [[9, "make-two-plots"]], "Markdown": [[15, "markdown"]], "Math": [[6, "math"]], "Mathematical, scientific and engineering applications of autograd": [[31, "mathematical-scientific-and-engineering-applications-of-autograd"]], "Matrix algebra": [[27, "matrix-algebra"]], "Matrix algebra approach.": [[5, "matrix-algebra-approach"]], "Meet the steam tables": [[13, "meet-the-steam-tables"]], "Method 1": [[3, "method-1"], [7, "method-1"]], "Method 2": [[7, "method-2"]], "Method 2: switch the interpolation order": [[3, "method-2-switch-the-interpolation-order"]], "Method of continuity for nonlinear equation solving": [[7, "method-of-continuity-for-nonlinear-equation-solving"]], "Method of continuity for solving nonlinear equations - Part II": [[7, "method-of-continuity-for-solving-nonlinear-equations-part-ii"]], "Mimicking ode events in python": [[2, "mimicking-ode-events-in-python"]], "Minimal definition of a function with one input": [[15, "minimal-definition-of-a-function-with-one-input"]], "Minimizing the summed absolute errors": [[25, "minimizing-the-summed-absolute-errors"]], "Model selection": [[11, "model-selection"]], "Modeling a transient plug flow reactor": [[2, "modeling-a-transient-plug-flow-reactor"]], "Modern machine learning with neural networks": [[32, "modern-machine-learning-with-neural-networks"]], "More about using Jupyter notebooks": [[15, "more-about-using-jupyter-notebooks"]], "More user-friendly functions": [[38, "more-user-friendly-functions"]], "Multidimensional arrays": [[27, "multidimensional-arrays"]], "Multiple minima": [[23, "multiple-minima"]], "Multiplication": [[11, "multiplication"]], "Multiplication and division": [[27, "multiplication-and-division"]], "Nth order differential 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"parameter-estimation-by-directly-minimizing-summed-squared-errors"]], "Parameterized objective functions": [[20, "parameterized-objective-functions"]], "Partial differential equations": [[2, "partial-differential-equations"]], "Peak annotation in matplotlib": [[9, "peak-annotation-in-matplotlib"]], "Peak finding in Raman spectroscopy": [[13, "peak-finding-in-raman-spectroscopy"]], "Phase portraits of a system of ODEs": [[2, "phase-portraits-of-a-system-of-odes"]], "Picasso\u2019s short lived blue period with Python": [[9, "picasso-s-short-lived-blue-period-with-python"]], "Plane Poiseuille flow - BVP solve by shooting method": [[2, "plane-poiseuille-flow-bvp-solve-by-shooting-method"]], "Plane poiseuelle flow solved by finite difference": [[2, "plane-poiseuelle-flow-solved-by-finite-difference"]], "Plot customizations - Modifying line, text and figure properties": [[9, "plot-customizations-modifying-line-text-and-figure-properties"]], "Plot how the \\Delta G varies with temperature": 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