/// <inheritdoc />
public option ChooseOption(candidate cand)
{
var rootNode = new BanditNode(this, cand, 0);
// var NumTrials = rootNode.Options.Count;
var NumTrials = 50;
Console.WriteLine("Running {0} trails, Possible #options: {1}", NumTrials, rootNode.Options.Count);
for (var i = 0; i < NumTrials; i++)
{
Console.Write(".");
RunTrial(rootNode, MaxDepth);
}
Console.WriteLine("");
Console.WriteLine("Avg reward and #tries for each option:");
rootNode.Bandit.PrintOptInfo();
return(rootNode.Options[rootNode.Bandit.GetBestArm()]); // return index of best arm we've found
}
public void buildTree(candidate cand)
{
sw = new StreamWriter("/home/manion/Documents/CleanMORFHPCC/output/MCTS/nodeInfo.txt");
sw.WriteLine("NodeNum,Depth,Reward,SmileString");
var rootNode = new BanditNode(this, cand, 0);
var NumTrials = 1000;
Console.WriteLine("Running {0} trails, Possible #options: {1}", NumTrials, rootNode.Options.Count);
for (var i = 0; i < NumTrials; i++)
{
RunTrial(rootNode, MaxDepth);
}
Console.WriteLine("");
Console.WriteLine("Avg reward and #tries for each option:");
rootNode.Bandit.PrintOptInfo();
sw.Close();
// saveTree(rootNode);
}
private double RunTrial(BanditNode node, int depth)
{
if (depth == 0) // leaf node
{
return(_evaluation.Evaluate(node.Cand));
}
if (!node.Bandit.HasOption())
{
return(_evaluation.Evaluate(node.Cand));
}
var optionIndex = node.Bandit.SelectPullArm();
double totalReward;
// Console.WriteLine("Querry opt idx: {0}, No.Children: {1}", optionIndex, node.Children.Length);
// If we reach max child nodes, then select randomly among children according to how much we've visited
if (node.Children[optionIndex].Count >= MaxWidth)
{
// Console.WriteLine("Should never be here1.");
var successors = node.Children[optionIndex].Keys.ToList();
var selectedOption = successors[node.Multinomial(optionIndex)];;
node.Children[optionIndex][selectedOption].Visits += 1;
var successorNode = node.Children[optionIndex][selectedOption].Node;
totalReward = successorNode.TransitionReward + RunTrial(successorNode, depth - 1);
}
else
{
// generate a new successor node
var successorState = CopyAndApplyOption(node.Options[optionIndex], node.Cand, true);
// var immediateReward = Evaluate(successorState) - node.AbsoluteReward; // how much better than last node?
var immediateReward = 0 - node.AbsoluteReward; // how much better than last node?
// If the successor state is already in node.Children
if (node.Children[optionIndex].ContainsKey(successorState))
{
// Console.WriteLine("Should never be here2.");
var successorNode = node.Children[optionIndex][successorState].Node;
node.Children[optionIndex][successorState].Visits += 1; // mark that we've sampled
totalReward = immediateReward + RunTrial(successorNode, depth - 1);
}
else
{
var successorNode = new BanditNode(this, successorState, immediateReward);
node.Children[optionIndex][successorState] = new BanditNode.NodeCountTuple(successorNode);
totalReward = immediateReward + _evaluation.Evaluate(successorState);//this evalutation tells how this state is POTENTIALLY good
var fileDir = "_runDirectory" + "/intermediateLinkers/linker" + nodeCnt;
Directory.CreateDirectory(fileDir);
Settings.filer.Save("_runDirectory" + "/intermediateLinkers/linker" + nodeCnt + "/linker" + nodeCnt + ".xml", successorState);
Console.WriteLine("Node{0}: depth: {1}, reward: {2}, smi: {3}", nodeCnt, MaxDepth - depth + 1, totalReward,
OBFunctions.moltoSMILES(OBFunctions.designgraphtomol(successorState.graph)));
sw.WriteLine("{0},{1},{2},{3}", nodeCnt, MaxDepth - depth + 1, totalReward,
OBFunctions.moltoSMILES(OBFunctions.designgraphtomol(successorState.graph)));
nodeCnt++;
}
}
node.Bandit.Update(optionIndex, totalReward);
return(totalReward);
}
public int Visits = 1; // should be initialized on the first visit
public NodeCountTuple(BanditNode node)
{
Node = node;
}
