Текст
                    Reinforcement Learning
Prof. Christian Bauckhage

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lecture 10 Q-learning in this lecture, it’s finally time to meet the real contender in tabular reinforcement learning, namely Q-learning we will discuss Q-learning in stochastic- and deterministic environments and look at an (arguably interesting) application of the latter 2 / 70
outline recap Q-learning in stochastic environments in deterministic environments an interesting application ?!? summary 3 / 70
recap 4 / 70
prediction and control the problems of evaluating and optimizing policies model-based reinforcement learning allows for prediction  and/or control in settings where a complete MDP model S, A, T, R of an environment is available model-free reinforcement learning allows for prediction and/or control in settings where only incomplete knowledge about states, actions, and basic environment dynamics is available 5 / 70
model-based policy iteration repeat for all s  Ph   i  P Vπ s = R s, a + γ Vπ s ′ p s ′ s, a π a s // evaluate s′ a for all s    P π s ← argmax R s, a + γ Vπ s ′ p s ′ s, a // improve s′ a until convergence to π∗ model-based value iteration repeat for all s     P Vt+1 s ← max R s, a + γ Vt s ′ p s ′ s, a a // update s′ until convergence to V∗ use V∗ to determine π∗ 6 / 70
model-free temporal difference updates for value functions h    i V̂ St ← V̂ St + α Rt+1 + γ V̂ St+1 − V̂ St 0 < α ≪ 1 is a learning rate TD(0) for prediction (based on episodes) for many,many trials s∼U S\F while s ∈ /F  a∼π · s  s ′ ← Succ s, a  r ← Util s ′ h    i V̂ s ← V̂ s + α r + γ V̂ s ′ − V̂ s // outcome depends on “physics engine” // outcome depends on “physics engine” s ← s′ 7 / 70
model-free temporal difference updates for quality functions h    i Q̂ St , At ← Q̂ St , At + α Rt+1 + γ Q̂ St+1 , At+1 − Q̂ St , At 0 < α ≪ 1 is a learning rate SARSA for control (based on episodes) for many,many trials s∼U S\F a ∼ ϵ-greedy policy (using Q̂) while s ∈ /F  s ′ ← Succ s, a  r ← Util s ′ a ′ ∼ ϵ-greedy policy (using Q̂) h    i Q̂ s, a ← Q̂ s, a + α r + γ Q̂ s ′ , a ′ − Q̂ s, a // outcome depends on “physics engine” // outcome depends on “physics engine” s ← s′ a ← a′ 8 / 70
ϵ-greedy policy ⇔ a stochastic policy where    Q s, a ′ with probability 1 − ϵ argmax a′ a=   ∼ U a ′ ∈ A s with probability ϵ on-policy methods attempt to improve a given policy π for decision making off-policy methods attempt to improve a target policy πt different from a behavior policy πb used to generate data; πb is usually stochastic whereas πt is usually deterministic 9 / 70
benefits of temporal difference methods they can learn before knowing the final outcome of a episode ⇔ they can learn from transitions or from incomplete episodes they apply to episodic and to continuing tasks / environments 10 / 70
just for completeness . . . n-step return methods update V̂ or Q̂ not after one step but after n steps using n-step returns Gt:t+n = Rt+1 + γ Rt+2 + · · · + γn−1 Rt+n + γn Vt+n−1 St+n Gt:t+n = Rt+1 + γ Rt+2 + · · · + γn−1 Rt+n + γn Q t+n−1  St+n , At+1  where neither is available until time t + n   ⇒ TD(n) and SARSA(n) update V̂ St and Q̂ St , At only n steps after St , At have occurred in an episode h   i V̂t+n St ← V̂t+n−1 St + α Gt:t+1 − V̂t+n−1 St h   i Q̂t+n St , At ← Q̂t+n−1 St , At + α Gt:t+1 − Q̂t+n−1 St , At while these are a bit messy to implement (not too messy though), they constitute a compromise between n = 1 (common TD) and an n = ∞ (Monte Carlo) methods and usually learn faster than either extreme “one can show” the error reduction property of n-step returns which implies that n-step methods converge 11 / 70
λ-return methods consider averages of n-step returns such as, say, 12 Gt:t+3 + 12 Gt:t+6 a very general form of such averaged returns are λ-returns ∞ X Gλ λn−1 Gt:t+n t = 1−λ n=1 where 0 ⩽ λ ⩽ 1 is a decay rate ⇒ λ-returns provide another compromise between one-step TD methods and Monte Carlo methods TD(λ) played a key role in Tesauro’s TD-Gammon, the first AI program ever that could play a truly “interesting” game (backgammon) at the level of seasoned human players G. Tesauro, Temporal Difference Learning and TD-Gammon, Communications of the ACM, 38 (3), 1995 12 / 70
Q-learning 13 / 70
finally, it’s time to meet the real contender in tabular reinforcement learning . . . 14 / 70
note “one can show” that this process will converge (for α “small enough”) Q-learning updates h    i Q̂ St , At ← Q̂ St , At + α Rt+1 + γ max Q̂ St+1 , a − Q̂ St , At a 15 / 70
Q-learning (from episodes)  for all s, a ∈ S × A   0 if s ∈ F Q̂ s, a = rnd otherwise for many, many trials sample s ∈ S \ F while s ∈ /F sample a ∈ A(s) ϵ-greedily (using Q̂)  s ′ ← Succ s, a  ′ r ← Util s h    i Q̂ s, a ← Q̂ s, a + α r + γ max Q̂ s ′ , a ′ − Q̂ s, a a′ s ← s′ 16 / 70
Q-learning (from transitions)  for all s, a ∈ S × A   0 if s ∈ F Q̂ s, a = rnd otherwise for many, many trials sample s ∈ S \ F sample a ∈ A(s) ϵ-greedily (using Q̂)  s ′ ← Succ s, a  r ← Util s ′ h    i Q̂ s, a ← Q̂ s, a + α r + γ max Q̂ s ′ , a ′ − Q̂ s, a a′ 17 / 70
note Q-learning   + works without knowledge of T s ′, s, a or R s, a + converges to an optimal Q∗ and π∗ if the learning rate α is “small enough” + does not require episodes but also works just with samples of transitions ± is exploration insensitive ⇔ converges to an optimal solution independent of the exploration strategy(i.e. could be different than ϵ-greedy selection) as long as every pair s, a is tried “often enough” (see next slide) − requires the creation of many transitions 18 / 70
note Q-learning faces the exploration / exploitation dilemma ⇔ without invoking some form of exploration, Q-learning won’t really learn above, we cunningly addressed this issue by sampling action a ∈ A(s) using an ϵ-greedy policy this is common practice and how the exploration / exploitation dilemma is usually handled during Q-learning 19 / 70
example    here, we show V s = max Q̂ s, a because Q̂ s, a is difficult to visualize a  r[t + 1] = Util s[t + 1] , α = 0.25, γ = 0.99, ϵ = 0.1, episodes = 100, 000 -10.0 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +9.6 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +9.6 +9.8 +7.0 +7.2 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.8 +10.0 +10.0 +6.9 +7.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.6 +9.8 +6.7 +6.9 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.4 +9.6 +6.9 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +6.7 +6.9 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +7.7 20 / 70
comparison SARSA -10.0 Q-learning +6.1 +6.3 +6.6 +6.9 +7.2 +7.4 +7.7 +7.9 +8.3 +8.5 +8.6 +8.4 +9.1 +9.3 +9.5 +6.0 +6.0 +6.2 +6.2 +6.8 +6.9 +7.3 +7.7 +7.8 +8.1 +8.5 +8.6 +9.2 +9.6 +9.8 +5.4 +5.9 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.8 +10.0 +10.0 +4.5 +5.4 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.6 +9.8 +4.2 +4.6 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.3 +9.6 +4.6 +5.0 +4.8 +5.3 +5.7 +6.3 +6.8 +6.9 +7.2 +7.7 +7.7 +8.1 +8.8 +9.0 +9.4 +5.0 +5.6 +5.8 +5.9 +6.3 +7.0 +6.8 +7.3 +7.6 +8.0 +8.2 +8.4 +8.6 +8.8 +8.9 +6.8 -10.0 vs +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +9.6 +9.6 +9.8 +7.0 +7.2 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.8 +10.0 +10.0 +6.9 +7.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.6 +9.8 +6.7 +6.9 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.4 +9.6 +6.9 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +6.7 +6.9 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +7.7 21 / 70
note SARSA is an on-policy control algorithm ⇔ updates Q̂ using value of the next state s ′ and an ϵ-greedy policy’s action a ′ ⇔ estimates values assuming the current ϵ-greedy policy is followed throughout Q-learning is an off-policy control algorithm ⇔ updates Q̂ using value of the next state s ′ and a deterministic policy’s action a ′ ⇔ estimates values assuming a greedy policy was followed but actually follows an ϵ-greedy policy, i.e. implicitly considers two policies, namely πb ⇔ stochastic ϵ-greedy policy πt ⇔ deterministic greedy policy (when sampling a)  (when updating Q̂ s, a ) 22 / 70
question can we be sure that Q-learning works ? ⇔ are we guaranteed that the following updates converge to Q∗ ? h    i Q̂ s, a ← Q̂ s, a + α r + γ max Q̂ s ′ , a ′ − Q̂ s, a ′ a ⇔ are we guaranteed that the following sequence converges to Q∗ ? h     i Q̂t+1 St , At = 1 − α Q̂t St , At + α Rt+1 + γ max Q̂t St+1 , a a 23 / 70
answer for a constant learning rate α, we actually have no real guarantee however, we have the following result (theorem on the next slide) from T. Jaakkola, M.I. Jordan, S.P. Singh, Convergence of Stochastic Iterative Dynamic Programming Algorithms, Proc. NIPS, 1993 24 / 70
Theorem (Jaakkola, Jordan, Singh (1993))  given an MDP S, A, T, R , the following (modified) Q-learning algorithm  h i  h i Qt+1 St , At = 1 − αt St , At Qt St , At + αt St , At Rt+1 + γ max Qt St+1 , a ′ a′  converges to the optimal quality function Q∗ s, a , if the state- and action spaces S and A are finite   the variance V Rt of reward values is bounded   P P the Robins-Monro conditions t αt St , At = ∞ and t α2t St , At < ∞ do hold for their proof, we need the following . . . 25 / 70
Lemma (Jaakkola, Jordan, Singh (1993))  a stochastic process ∆t over Rn such that   ∆t+1 (x) = 1 − αt (x) ∆t (x) + αt (x) ft (x) converges to 0 with probability 1, if P P 0 ⩽ αt (x) < 1, t αt (x) = ∞, t α2t (x) < ∞  E ft (x)  V ft (x) fpast  ⩽ γ ∆t where 0 < γ < 1 h i2  fpast ⩽ C 1 + ∆t where C > 0 this is a statement on the convergence of a process under what the business calls “mild conditions” we will not prove this statement but also recall . . . 26 / 70
 Bellman optimality equation for Q∗ s, a X     Q∗ s, a = R s, a + γ max Q∗ s ′ , a ′ p s ′ s, a s′ a′ ⇔ if we consider the Bellman optimality operator Bmax with  X     max Q s ′ , a ′ p s ′ s, a Bmax Q s, a = R s, a + γ s′ a′  we realize that Q∗ s, a is a fixed point of this operator moreover, Bmax is a contraction operator such that   Bmax Q1 − Bmax Q2 ∞ ⩽ γ Q1 − Q2 ∞ here is a quick sanity check . . . 27 / 70
we have that   Bmax Q1 − Bmax Q2  = max R s, a − γ s,a = max γ s,a ⩽ max γ s,a ⩽ max γ s,a = max γ s,a X ∞ X      max Q1 s ′ , a ′ p s ′ s, a − R s, a − γ max Q2 s ′ , a ′ p s ′ s, a s′ a′ s′ a′ Xh i   max Q1 s ′ , a ′ − max Q2 s ′ , a ′ p s ′ s, a a′ s′ X    max Q1 s ′ , a ′ − max Q2 s ′ , a ′ p s ′ s, a a′ s′ X s′ a′ a′    max Q1 s ′′ , a ′ − Q2 s ′′ , a ′ p s ′ s, a s ′′ ,a ′ X Q1 − Q2 s′ = γ Q1 − Q2 ∞ ∞  p s ′ s, a ⩽ Q1 − Q2 ∞ 28 / 70
Proof of the theorem by Jaakkola, Jordan, Singh (1993). consider the Q-learning updates  h i  h i Qt+1 St , At = 1 − αt St , At Qt St , At + αt St , At Rt+1 + γ max Qt St+1 , a ′ a′ subtracting Q∗ from both sides, adding 0 = αt ∆t − αt ∆t on the right, and defining    ∆t s, a = Qt s, a − Q∗ s, a     ft s, a = R s, a + γ max Qt s ′ , a ′ − Q∗ s, a a′ gives us the following stochastic process  h i    ∆t+1 St , At = 1 − αt St , At ∆t St , At + αt St , At ft St , At 29 / 70
Proof (cont.) we have h i Xh   i   R St , At + γ max Qt s ′ , a ′ − Q∗ St , At p s ′ St , At E ft St , At fpast = s′ a′    = Bmax Qt St , At − Q∗ St , At     = Bmax Qt St , At − Bmax Q∗ St , At ⇒ we have h i     E ft St , At fpast ⩽ γ Qt St , At − Q∗ St , At = γ ∆t St , At 30 / 70
Proof (cont.) we also have  h  i h  i2     V ft St , At fpast = E R St , At + γ max Qt St+1 , a ′ − Q∗ St , At − Bmax Qt St , At + Q∗ St , At a′ h     i2 = E R St , At + γ max Qt St+1 , a ′ − Bmax Qt St , At a′ h i   = V R St , At + γ max Qt St+1 , a ′ fpast a′ next, we argue more intuitively (i.e. less rigorously) than Jaakkola, Jordan, and Singh for the dirty details, ask our theoretical computer scientists ;-) 31 / 70
recall h     i2    2 V X =E X−E X = E X2 − E X      2 V X Y = X2 Y − E X Y      2   h    i2 V X + Y Z = E (X + Y)2 Z − E X + Y Z = E X 2 + Y 2 + 2XY Z − E X Z + E Y Z        2  2     = E X 2 Z + E Y 2 Z + 2 E XY Z − E X Z − E Y Z − 2 E X Z E Y Z       = V X Z + V Y Z + 2 cov X, Y Z         cov X, Y Z = E XY Z − E Y Z E Y Z 32 / 70
Proof (cont.) we found h i h i    V ft St , At fpast = V R St , At + γ max Qt St+1 , a ′ fpast a′ using the above identities, we can rewrite this as i h i h i h         V ft St , At fpast = V R St , At fpast + V γ max Qt St+1 , a ′ fpast + 2 cov R St , At , γ max Qt St+1 , a ′ fpast ∈ O Q2t a′ a′ | {z } | {z } | {z } bounded by assumption qudratic in Qt linear in Qt    if we finally write maxa ′ Qt St+1 , a ′ = maxa ′ ∆t St+1 , a ′ + Q∗ St+1 , a ′ , we realize that i h i2 h  V ft St , At fpast ⩽ C 1 + ∆t (for some large enough C) 33 / 70
Proof (cont.) for our definitions    ∆t s, a = Qt s, a − Q∗ s, a     ft s, a = R s, a + γ max Qt s ′ , a ′ − Q∗ s, a a′ we have confirmed that h i  E ft St , At fpast ⩽ γ ∆t h i h i2  V ft St , At fpast ⩽ C 1 + ∆t ⇒ ∆t approaches 0 ⇔ Qt approaches Q∗ 34 / 70
remarks (1) we could go through a similar ordeal to prove the convergence of SARSA Q-learning was introduced by Watkins (1989), the first proof for its convergence by Watkins and Dayan (1992) was a bit flawed the proof by Jaakkola, Jordan, and Singh (1993) leans of heavy machinery and there exist alternative but equally heavy proofs people are still looking for more elementary arguments, e.g. Regehr and Ayoub (2021), but the resulting proofs are still anything but trivial so there are still opportunities to get famous ;-) 35 / 70
remarks (2) the fact that the Robbins-Monro conditions must hold for the learning rate αt of a provably converging Q-learning process translates to this slogan “the learning rate must decay quickly, but not too quickly” indeed, if αt would decay  too rapidly, Q-learning couldn’t “investigate” enough state action pairs s, a to learn reliably however, the most common practice is to work with constant learning rates α (we did it ourselves) if we opt for doing this, we have no convergence guarantees; yet it is common (empirical) lore that Q-learning works just fine as long as α is “small enough” however . . . 36 / 70
note things are much easier in deterministic environments a deterministic environment  is an environment where each state-action pair s, a has a unique successor  ssa = Succ s, a ⇔ a deterministic environment is an environment where transition probabilities reduce to   1 if s ′ = ssa ′ p s s, a = 0 otherwise 37 / 70
example stochastic environment deterministic environment consider consider   2 St = s = 0   2 St = s = 0 At = a = → At = a = → St+1 ∼ p s ′ s, a  St+1 ∼ p s ′ s, a  38 / 70
stochastic environment we have St+1 =  deterministic environment we have [1, 0]T [3, 0]T with prob 0.1 with prob 0.9 St+1 = [3, 0]T with prob 1.0 39 / 70
in a stochastic environment, we have h      i ′ ′ Q̂ s, a ← 1 − α Q̂ s, a + α Util s ′ + γ max Q̂ s , a ′ a     ⇔ new Q̂ s, a is a convex combination of the old Q̂ s, a and Util s ′ + γ max Q̂ s ′ , a ′ ′ a  s ′ is sampled according to p s ′ s, a  ⇔ s ′ is stochastic and may be different any time we update Q̂ s, a convex combination updates take this into account since they are “not overly eager” 40 / 70
in a deterministic environment, we have h      i ′ Q̂ s, a ← 1 − α Q̂ s, a + α Util ssa + γ max Q̂ s , a sa ′ a     ⇔ new Q̂ s, a is a convex combination of the old Q̂ s, a and Util ssa + γ max Q̂ ssa , a ′ ′ a ssa is a function of s and a  ⇔ ssa is deterministic and therefore the same every time we update Q̂ s, a   Q̂ ssa , a ′ ??? so then why only “carefully” step into the direction of Util ssa + γ max ′ a 41 / 70
claim w/o proof the optimal learning rate for Q-learning in deterministic environments is α=1 ⇒ Q-learning updates for deterministic environments simplify considerably    Q̂ s, a ← Util ssa + γ max Q̂ ssa , a ′ ′ a 42 / 70
note all our grid world examples up to now considered a deterministic environment so far, we never took advantage of this but . . . let’s see how deterministic Q-learning performs 43 / 70
w.r.t. the learned Q function, there is no discernible difference Q-learning with α = 0.25 -10.0 Q-learning with α = 1 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +9.6 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +9.6 +9.8 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +9.6 +9.8 +7.0 +7.2 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.8 +10.0 +10.0 +7.0 +7.2 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.8 +10.0 +10.0 +6.9 +7.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.6 +9.8 +6.9 +7.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.6 +9.8 +6.7 +6.9 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.4 +9.6 +6.7 +6.9 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 -10.0 +9.4 +9.6 +6.9 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +6.9 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +9.4 +6.7 +6.9 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +6.7 +6.9 +7.0 +7.2 +7.4 +7.6 +7.7 +7.9 +8.1 +8.3 +8.5 +8.6 +8.8 +9.0 +9.2 +7.7 -10.0 +9.6 +7.7 44 / 70
w.r.t. convergence speed, however, there is a difference Q-learning with α = 0.25 Q-learning with α = 1 10.8 9.6 9.6 8.4 8.4 kQnew − Qoldk∞ 12.0 10.8 kQnew − Qoldk∞ 12.0 7.2 7.2 6.0 6.0 4.8 4.8 3.6 3.6 2.4 2.4 1.2 1.2 0.0 0.0 0 5000 10000 15000 20000 25000 t 30000 35000 40000 45000 50000 0 5000 10000 15000 20000 25000 t 30000 35000 40000 45000 50000 45 / 70
an interesting application ?!? (why your instructor is interested in reinforcement learning) 46 / 70
observe (deep) neural networks compute functions      y x = φ · · · φ W2 φ W1 x = φL ◦ · · · ◦ φ2 ◦ φ1 s0 where, for instance   φl sl−1 = ReLU W l sl−1 20 21 WL 17 18 19 14 15 16  .. . 10 11 12 13 6 7 8 9 W2 W1 1 2 3 4 5 47 / 70
crazy idea define an initial state and a goal state   S0 = x1 , x2 , . . . , xn   Sg = y1 , y2 , . . . , yn (matrix of all n training inputs) (matrix of all n training outputs) and consider two humongous (infinite) sets of states and actions S= S ∈ Rml ×n l = 0, . . . , L ∧ ml = # neurons in layer l A = W ∈ Rml ×ml−1 l = 1, . . . , L ∧ ml = # neurons in layer l  then the (matrix valued) activations Sl = ReLU W l Sl−1 in layer l are produced by a state transition function φ : S × A → S 48 / 70
seen like this, neural network training is to find a sequence of weight matrices W1 : W2 : · · · : WL where each W l ∈ A crucially, when plugged into the network, the sought after sequence of weight matrices should minimize a loss- or error function such as  E = ∥ y S0 − Sg ∥2 49 / 70
note we can simultaneously “generalize and restrict” this idea ⇔ we might think of a (deep) network in terms of a function   y x = φL ◦ · · · ◦ φ2 ◦ φ1 x that is composed of L elementary functions of more general type if we had a library of N useful elementary functions, then training becomes searching for an appropriate sequence φ1 : φ2 : · · · : φL where φl ∈ f1 , f2 , . . . , fN 50 / 70
the noisy bi-polar XOR problem given labeled data xi , yi  n i=1 with 1 xi ∈ R2  yi ∈ −1, +1 train a binary classifier such that   −1 if x1 ≈ x2 y x = +1 otherwise 0 −1 0 1 −1 51 / 70
library of elementary functions R2 → R2 R2 → R f0 (x) = id(x) g1 (x) = f1 (x) = R x g2 (x) =  f2 (x) = wa wa x  f3 (x) = wb wTb x T P Q R→R i xi h1 (x) = 2 x i xi h2 (x) = −x 2 g3 (x) = ∥ x∥ h3 (x) = x − 1 T h4 (x) = x + 1 T h5 (x) = | x | g4 (x) = wa x g5 (x) = wb x h6 (x) = exp − 12 x2  h7 (x) = tanh x  h8 (x) = sign x  R= 0 −1  +1 0  wa =  sin π 4 cos π 4  wb =   − sin π 4 cos π 4 52 / 70
possible solutions +1 +1 1 1 0 −1 0 0 0 −1 1 −1 0 0 1 −1 −1   y x = h7 ◦ h2 ◦ g2 x  Y  = tanh − xi i −1   y x = h2 ◦ h1 ◦ h6 ◦ h3 ◦ g2 ◦ f1 x   Y  2  = − 2 exp − 12 Rx i − 1 i 53 / 70
+1 +1 1 1 0 −1 0 0 0 −1 1 −1 0 0 1 −1 −1   y x = h3 ◦ h1 ◦ h6 ◦ g4 x −1   y x = h2 ◦ h3 ◦ h1 ◦ h6 ◦ g5 x 54 / 70
+1 +1 1 1 0 −1 0 0 0 −1 1 −1 0 0 1 −1 −1   y x = h3 ◦ h1 ◦ h6 ◦ g3 ◦ f2 x −1   y x = h2 ◦ h3 ◦ h1 ◦ h6 ◦ g3 ◦ f3 x 55 / 70
+1 +1 1 1 0 −1 0 0 0 0 −1 1 −1 0 −1 −1   y x = h8 ◦ h3 ◦ h5 ◦ g5 x 1 −1   y x = h8 ◦ g2 ◦ f1 x Y   = sign Rx i i and many more . . . 56 / 70
questions it should be obvious that we can find appropriate sequences using MCTS, right ? but can we also resort to Q-learning ? ⇔ can we set up search as Q-learning ? answer yes, we can ! 57 / 70
modeling (1) we are given X, y, and sets of functions  F = f0 , f1 , . . .  G = g1 , g2 , . . .  H = h1 , h2 , . . . and also define a specific subset of H  D = h7 , h8 (functions R2 → R2 ) (functions R2 → R ) (functions R → R ) (decision functions) 58 / 70
modeling (2) actions are elementary functions a∈F∪G∪H states are composite functions s = aL ◦ · · · ◦ a2 ◦ a1 ◦ f0 where L ⩽ Lmax and the domain of al agrees with the range of al−1 ⇔ states are sequences of actions (which always begin with f0 = id) 59 / 70
modeling (3) the environment is deterministic, because  s ′ = Succ s, a = a ◦ s we define a deterministic reward function function R EWARD(s, a, rigorous) if a ∈ /H return −0.1  E = ∥a ◦ s X − y∥2 if rigorous ∧ E = 0 return 10 return 1/(E + 1) 60 / 70
so far, so good but . . .  if N and especially Lmax are large, an in-memory table implementation of Q s, a will likely be infeasible due to combinatorics and memory requirements (it may be impossible to list all states (i.e. valid sequences of actions)) however, in episodic Q-learning, we may grow such a table table iteratively and do not have to worry about initializing all Q s, a up front  working with python, we can implement Q s, a as a dictionary of dictionaries which we initialize as   Q = s0 : a : rnd a ∈ A s0 and extend similarly whenever we encounter a (successor) state s ′ not yet in Q 61 / 70
episodic Q-learning overall procedure more efficient reward computation Q ← INITIALIZE Q( ) function R EWARD(a, z, y, rigorous) if a ∈ /H return −0.1 for t = 1, . . . , tmax s ← f0  z ← f0 X E = ∥z − y∥2 for l = 1, . . . , Lmax ϵ-greedily sample “appropriate” action a ∈ A(s) ⊂ F ∪ G ∪ H s ′ ← a ◦ s z ←a z r ← R EWARD(a, z, y, rigorous) return 1/(E + 1) Q-dictionary book-keeping if s ′ ̸∈ Q EXTEND Q(Q, s ′ ) Q[s][a] ← r + γ · max Q[s ′ ][a ′ ] a′ if a ∈ D break if rigorous ∧ E = 0 return 10 function INITIALIZE Q( )   return s0 : a : rnd a ∈ A s0 function EXTEND Q(Q, s ′ )     Q s ′ = a : rnd a ∈ A s ′ s ← s′ 62 / 70
shortest sequences found (using rigorous = 0 and rigorous = 1) +1 +1 1 1 0 −1 0 0 0 −1 1 −1 0 0 1 −1 Q  xi h2 ◦ g2 (x) = − i −1  Q  xi h8 ◦ h2 ◦ g2 (x) = sign − −1 i 63 / 70
a 3 × 3 × 1 neural net would do something like this +1 y ϕ 1 ϕ 1 ϕ 0 −1 0 0 1 −1 1 x1 x2 −1 h7 ◦ h3 h7 ◦ h4 ◦ g4 (x) − h7 ◦ h3 ◦ g4 (x)  64 / 70
note the resulting classifiers can explain themselves because their building blocks can !!!!! def g1(X): """ fct: g1 dom: 2 rng: 1 act: compute the sum of all entries of the input vector to produce a scalar """ return np.sum(X,axis=0) def getActionDescription(f): docstr = f.__doc__ lines = docstr.split(’\n’) for line in lines: if line.lstrip().startswith(’act’): return line.split(’:’)[-1].lstrip() def explainActionSequence(s): for i, a in enumerate(s): print (’%d)’%(i+1), getActionDescription(a)) 65 / 70
example +1 >>> explainActionSequence([g5, h5, h3, h8]) 1 0 −1 0 0 1 1) 2) 3) 4) compute the inner product of the 2D input vector and w_b to produce a scalar compute the absolute value of the input scalar to produce a new scalar subtract 1 from the input scalar to produce a new scalar compute sign of the input scalar to produce a new scalar −1 −1 h8 ◦ h3 ◦ h5 ◦ g5 (x) 66 / 70
note the above approach follows the paradigm of informed machine learning ⇔ it uses data-independent background knowledge in data-driven learning based on expert knowledge in form of domain specific functional building blocks, it automatically assembles interpretable and accountable models for the data goal states and rewards could be tuned to reflect (combinations of) user targets (quality, efficiency, security, . . . ) for the application at hand 67 / 70
future work frequently occurring function sequences could be turned into building blocks parameterized functions could be post-tuned using gradient-free optimization B. Wulff, J. Schuecker, and C. Bauckhage, SPSA for Layer-wise Training of Deep Networks, Proc. ICANN, 2018 functions with multiple arguments could maybe dealt with using currying ??? .. . ⇒ many of open questions ⇔ lot’s of potential for MSc theses talk to me !!! 68 / 70
summary 69 / 70
we now know about Q-learning in stochastic environments h     i ′ ′ Q̂ s, a ← Q̂ s, a + α R s, a + γ max Q̂ s , a − Q̂ s, a ′ a ⇔ h i h    i ′ ′ Q̂ s, a ← 1 − α Q̂ s, a + α R s, a + γ max Q̂ s , a ′ a Q-learning in deterministic environments    Q̂ s, a ← Util ssa + γ max Q̂ ssa , a ′ ′ a 70 / 70