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mhjensen e040afc35a update on BM slides
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<!-- navigation toc: --> <li><a href="._BM-bs001.html#___sec0" style="font-size: 80%;">Types of Machine Learning, a repetition</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs002.html#___sec1" style="font-size: 80%;">Why Boltzmann machines?</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs003.html#___sec2" style="font-size: 80%;">An intermediate step, the Hopfield network and links to the Ising and Potts models</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs004.html#___sec3" style="font-size: 80%;">A brief review on Markov Chains, Metropolis and Gibbs sampling</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs005.html#___sec4" style="font-size: 80%;">Brownian motion and Markov processes</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs006.html#___sec5" style="font-size: 80%;">Brownian motion and Markov processes, Ergodicity and Detailed balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs007.html#___sec6" style="font-size: 80%;">Brownian motion and Markov processes, jargon</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs008.html#___sec7" style="font-size: 80%;">Brownian motion and Markov processes, sequence of ingredients</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs009.html#___sec8" style="font-size: 80%;">Applications: almost every field in science</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs010.html#___sec9" style="font-size: 80%;">Markov processes</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs011.html#___sec10" style="font-size: 80%;">Markov processes</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs012.html#___sec11" style="font-size: 80%;">Markov processes, the probabilities</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs013.html#___sec12" style="font-size: 80%;">Markov processes</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs014.html#___sec13" style="font-size: 80%;">An Illustrative Example</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs015.html#___sec14" style="font-size: 80%;">An Illustrative Example</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs016.html#___sec15" style="font-size: 80%;">An Illustrative Example, next step</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs017.html#___sec16" style="font-size: 80%;">An Illustrative Example, the steady state</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs018.html#___sec17" style="font-size: 80%;">An Illustrative Example, iterative steps</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs019.html#___sec18" style="font-size: 80%;">An Illustrative Example, what does it mean?</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs020.html#___sec19" style="font-size: 80%;">An Illustrative Example, understanding the basics</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs021.html#___sec20" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs022.html#___sec21" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs023.html#___sec22" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs024.html#___sec23" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs025.html#___sec24" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs026.html#___sec25" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs027.html#___sec26" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs028.html#___sec27" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs029.html#___sec28" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs030.html#___sec29" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs031.html#___sec30" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs032.html#___sec31" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs033.html#___sec32" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs034.html#___sec33" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs035.html#___sec34" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs036.html#___sec35" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs037.html#___sec36" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs038.html#___sec37" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs039.html#___sec38" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs040.html#___sec39" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs041.html#___sec40" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs042.html#___sec41" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs043.html#___sec42" style="font-size: 80%;">The Metropolis Algorithm and Detailed Balance</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs044.html#___sec43" style="font-size: 80%;">Brief Summary</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs045.html#___sec44" style="font-size: 80%;">Gibbs sampling</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs046.html#___sec45" style="font-size: 80%;">Boltzmann Machines</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs047.html#___sec46" style="font-size: 80%;">Some similarities and differences from DNNs</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs048.html#___sec47" style="font-size: 80%;">Boltzmann machines (BM)</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs049.html#___sec48" style="font-size: 80%;">A standard BM setup</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs050.html#___sec49" style="font-size: 80%;">The structure of the RBM network</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs051.html#___sec50" style="font-size: 80%;">The network</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs052.html#___sec51" style="font-size: 80%;">Goals</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs053.html#___sec52" style="font-size: 80%;">Joint distribution</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs054.html#___sec53" style="font-size: 80%;">Network Elements, the energy function</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs055.html#___sec54" style="font-size: 80%;">Defining different types of RBMs</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs056.html#___sec55" style="font-size: 80%;">More about RBMs</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs057.html#___sec56" style="font-size: 80%;">Sampling: Metropolis sampling</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs058.html#___sec57" style="font-size: 80%;">Sampling: Gibbs sampling</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs059.html#___sec58" style="font-size: 80%;">Gaussian RBM</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs060.html#___sec59" style="font-size: 80%;">Cost function</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs061.html#___sec60" style="font-size: 80%;">Optimization / Training</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs062.html#___sec61" style="font-size: 80%;">More on RBMs</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs063.html#___sec62" style="font-size: 80%;">Which sampling to use</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs064.html#___sec63" style="font-size: 80%;">Recent examples: RBMs for the quantum many body problem</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs065.html#___sec64" style="font-size: 80%;">Choose the right RBM</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs066.html#___sec65" style="font-size: 80%;">Representing the wave function</a></li>
<!-- navigation toc: --> <li><a href="#___sec66" style="font-size: 80%;">Choose the cost function</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs068.html#___sec67" style="font-size: 80%;">Running the codes</a></li>
<!-- navigation toc: --> <li><a href="._BM-bs069.html#___sec68" style="font-size: 80%;">Energy as function of iterations, \( N=2 \) electrons</a></li>
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<h2 id="___sec66" class="anchor">Choose the cost function </h2>
Now we don't necessarily have training data (unless we generate it by using some other method). However, what we do have is the variational principle which allows us to obtain the ground state wave function by minimizing the expectation value of the energy of a trial wavefunction (corresponding to the untrained NQS). Similarly to the traditional variational Monte Carlo method then, it is the local energy we wish to minimize. The gradient to use for the stochastic gradient descent procedure is
$$
\begin{align}
G_i = \frac{\partial \langle E_L \rangle}{\partial \theta_i}
= 2(\langle E_L \frac{1}{\Psi}\frac{\partial \Psi}{\partial \theta_i} \rangle - \langle E_L \rangle \langle \frac{1}{\Psi}\frac{\partial \Psi}{\partial \theta_i} \rangle ),
\tag{35}
\end{align}
$$
where the local energy is given by
$$
\begin{align}
E_L = \frac{1}{\Psi} \hat{\mathbf{H}} \Psi.
\tag{36}
\end{align}
$$
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