"""Training loop for ST-GFN and 10 baselines across 4 environments. Vectorized rollouts: all B trajectories in a batch advance together so each timestep costs one network forward pass. Methods implemented (paper Sec. 4 / App. C.1.1): Standard GFlowNets : tb, fm, subtb, db Stochastic GFlowNets : eflownet, stochastic_gfn Exploration-enhanced : tb_rnd, tb_novelty, tb_icm, tb_cv Ours : stgfn (+ ablations stgfn_no_spectral, stgfn_no_intrinsic) """ from __future__ import annotations import argparse import json import math import os import time from collections import defaultdict import numpy as np import torch import torch.nn.functional as F from envs import ENVS from models import RFF, GFNNet, RNDNet, ICMNet, AutocorrIntrinsic DEVICE = torch.device("cuda" if torch.cuda.is_available() else "cpu") MAX_T = {"bitsequence": 8, "hypergrid": 70, "tictactoe": 9, "singlecell_proxy": 3} def max_horizon(env_name, cfg): """Longest possible trajectory, so rollouts are never truncated. HyperGrid needs 2*(size-1) moves to reach the far corner plus one stop action; a fixed cap silently truncates trajectories on larger grids and quietly corrupts every terminal-state metric. """ if env_name == "hypergrid": return 2 * (cfg["grid_size"] - 1) + 2 if env_name == "bitsequence": return cfg["bit_length"] if env_name == "singlecell_proxy": return cfg["k_genes"] return MAX_T[env_name] def backward_mask(env, state, n_actions): """Actions that could have produced `state` from a valid parent. A mask with a single entry means the state has a unique parent, so log P_B(parent|state) = 0 and the backward term drops out of the TB residual. Getting this right matters: marking every action as a possible parent lets the learned P_B cancel P_F in the residual, which silently removes all reward signal from the objective. """ m = np.zeros(n_actions, dtype=np.float32) if env.name == "hypergrid": x, y, stopped = state if stopped: m[2] = 1 # unique parent: (x, y, 0) via the stop action return m if x > 0: m[0] = 1 if y > 0: m[1] = 1 if m.sum() == 0: m[2] = 1 # the root has no parent elif env.name == "singlecell_proxy": for g in state: m[g] = 1 if m.sum() == 0: m[0] = 1 else: # unique parent (bitsequence, tictactoe) m[0] = 1 return m def forward_mask(env, state, n_actions): m = np.zeros(n_actions, dtype=np.float32) for a in env.valid_actions(state): m[a] = 1 return m def masked_log_softmax(logits, mask): logits = logits.masked_fill(mask < 0.5, -1e9) return F.log_softmax(logits, dim=-1) class Trainer: def __init__(self, env_name, method, seed, cfg): self.cfg = cfg self.method = method self.env_name = env_name self.seed = seed torch.manual_seed(seed) np.random.seed(seed) self.rng = np.random.RandomState(seed) env_kwargs = {} if env_name == "bitsequence": env_kwargs = dict(length=cfg["bit_length"], p_fail=cfg["p_fail"]) elif env_name == "hypergrid": env_kwargs = dict(size=cfg["grid_size"], period=cfg["period"]) elif env_name == "tictactoe": env_kwargs = dict(opp_optimal_prob=cfg["opp_optimal"]) elif env_name == "singlecell_proxy": env_kwargs = dict(n_genes=cfg["n_genes"], k=cfg["k_genes"]) self.env = ENVS[env_name](**env_kwargs) self.max_t = max_horizon(env_name, cfg) self.model = GFNNet(self.env.state_dim, self.env.n_actions, self.max_t).to(DEVICE) # logZ needs a much larger step size than the policy (standard practice for # trajectory balance, Malkin et al. 2022) or it dominates the residual. policy_params = [p for n, p in self.model.named_parameters() if n != "logZ"] self.opt = torch.optim.Adam( [ {"params": policy_params, "lr": cfg["lr"]}, {"params": [self.model.logZ], "lr": cfg["lr_logz"]}, ] ) self.rff = RFF(self.env.state_dim, D=cfg["rff_dim"], sigma=cfg["rff_sigma"], seed=seed).to(DEVICE) # adaptive spectral regularization: lambda = exp(theta_lambda) (Eq. 14-15) self.theta_lambda = torch.tensor( [math.log(cfg["lambda_init"])], device=DEVICE, requires_grad=True ) self.opt_lambda = torch.optim.Adam([self.theta_lambda], lr=cfg["lr_lambda"]) self.rnd = RNDNet(self.env.state_dim, seed=seed).to(DEVICE) if method == "tb_rnd" else None if self.rnd: self.opt_rnd = torch.optim.Adam(self.rnd.pred.parameters(), lr=cfg["lr"]) self.icm = ICMNet(self.env.state_dim, self.env.n_actions).to(DEVICE) if method == "tb_icm" else None if self.icm: self.opt_icm = torch.optim.Adam(self.icm.parameters(), lr=cfg["lr"]) self.visit_counts = defaultdict(int) self.use_intrinsic = method in ("stgfn", "stgfn_no_spectral") self.use_spectral = method in ("stgfn", "stgfn_no_intrinsic") self.ac = AutocorrIntrinsic(k_max=cfg["k_max"], alpha=cfg["ac_alpha"], mode=cfg["ac_weight_mode"]) self.cv_baseline = 0.0 # for tb_cv control variate # bookkeeping self.seen_terminals = set() self.seen_modes = set() self.history = defaultdict(list) self.total_env_steps = 0 self.grad_norms = [] self.last_acf = None self.last_weights = None # ---------- rollout ---------- def rollout(self, B, epsilon): env = self.env states = [env.reset() for _ in range(B)] alive = list(range(B)) traj = [ {"s": [states[i]], "a": [], "t": [], "raw_r": [], "ac_r": []} for i in range(B) ] self.ac.reset() per_traj_ac = [AutocorrIntrinsic(self.cfg["k_max"], self.cfg["ac_alpha"], mode=self.cfg["ac_weight_mode"]) for _ in range(B)] for t in range(self.max_t): if not alive: break enc = torch.tensor( np.stack([env.encode(states[i]) for i in alive]), device=DEVICE ) tt = torch.full((len(alive),), t, dtype=torch.long, device=DEVICE) with torch.no_grad(): pf_logits, _, _ = self.model(enc, tt) fmask = torch.tensor( np.stack([forward_mask(env, states[i], env.n_actions) for i in alive]), device=DEVICE, ) logp = masked_log_softmax(pf_logits, fmask) probs = logp.exp() # epsilon-greedy exploration (App. C.1.3) unif = fmask / fmask.sum(dim=-1, keepdim=True).clamp(min=1e-9) mix = (1 - epsilon) * probs + epsilon * unif mix = mix / mix.sum(dim=-1, keepdim=True).clamp(min=1e-9) actions = torch.multinomial(mix, 1).squeeze(-1).cpu().numpy() next_alive = [] for j, i in enumerate(alive): a = int(actions[j]) s = states[i] ns, done = env.step(s, a, self.rng) self.total_env_steps += 1 self.visit_counts[ns] += 1 # Raw local reward feeding the autocorrelation (Alg. 1 line 13, "e.g. # from novelty"). The Wiener-Khinchin mechanism is meant to detect # *periodic reward structure*, which only shows up in the ACF if the # raw signal is the local reward; novelty carries no periodicity. if self.cfg["ac_signal"] == "reward": raw = float(env.reward(ns)) else: raw = 1.0 / math.sqrt(self.visit_counts[ns]) ac_val = per_traj_ac[j].update(raw) if self.use_intrinsic else 0.0 traj[i]["a"].append(a) traj[i]["t"].append(t) traj[i]["s"].append(ns) traj[i]["raw_r"].append(raw) traj[i]["ac_r"].append(ac_val) states[i] = ns if not done and env.valid_actions(ns): next_alive.append(i) alive = next_alive # keep the batch-mean ACF so periodicity can actually be inspected; # the per-trajectory estimators are otherwise discarded each rollout if self.use_intrinsic: acfs = np.stack([a.acf for a in per_traj_ac]) self.last_acf = acfs.mean(0) self.last_weights = np.stack([a.weights for a in per_traj_ac]).mean(0) return traj, states # ---------- spectral quantities ---------- def spectral_terms(self, states_list, t_list, pf_logp, pb_logp, sampled_actions): """Returns (consistency_loss, reg_energy) per the Unified Spectral Loss. P_hat(s,t) = E_{a~P}[ E_{s'~P_env(.|s,a)}[ z(s') ] ] V_hat(s,a) = E_{s'~P_env(.|s,a)}[ z(s') ] """ env = self.env flat_enc, owner_sa, out_prob = [], [], [] sa_index = {} sa_list = [] for i, (s, _) in enumerate(zip(states_list, t_list)): for a in env.valid_actions(s): sa_index[(i, a)] = len(sa_list) sa_list.append((i, a)) for p, ns in env.expected_next_encodings(s, a): flat_enc.append(env.encode(ns)) owner_sa.append(sa_index[(i, a)]) out_prob.append(p) if not flat_enc: z = torch.zeros(1, device=DEVICE) return z.sum(), z.sum() enc_t = torch.tensor(np.stack(flat_enc), device=DEVICE) z = self.rff(enc_t) # [N, D] owner = torch.tensor(owner_sa, device=DEVICE) w = torch.tensor(out_prob, device=DEVICE, dtype=torch.float32).unsqueeze(-1) n_sa = len(sa_list) V_hat = torch.zeros(n_sa, z.shape[1], device=DEVICE).index_add_(0, owner, z * w) # aggregate to P_hat_F / P_hat_B by weighting with the policy probs n_states = len(states_list) PF = torch.zeros(n_states, z.shape[1], device=DEVICE) PB = torch.zeros(n_states, z.shape[1], device=DEVICE) idx_state = torch.tensor([i for (i, a) in sa_list], device=DEVICE) act_idx = torch.tensor([a for (i, a) in sa_list], device=DEVICE) pf_w = pf_logp.exp()[idx_state, act_idx].unsqueeze(-1) pb_w = pb_logp.exp()[idx_state, act_idx].unsqueeze(-1) PF = PF.index_add_(0, idx_state, V_hat * pf_w) PB = PB.index_add_(0, idx_state, V_hat * pb_w) consistency = ((PF - PB) ** 2).sum(-1).mean() # Spectral regularization E_{a~P_F(.|s)}[ ||V_hat(s,a)||_H^2 ] written as an # explicit expectation rather than a one-sample estimate: V_hat depends only # on the (fixed) environment kernel and RFF map, so the *only* route by which # this term can influence the policy is through the P_F weights. energy = (V_hat ** 2).sum(-1) # [n_sa] pf_sel = pf_logp.exp()[idx_state, act_idx] reg_per_state = torch.zeros(n_states, device=DEVICE).index_add_( 0, idx_state, energy * pf_sel ) reg = reg_per_state.mean() self.last_energy_spread = float( (energy.max() - energy.min()).item() ) if energy.numel() else 0.0 return consistency, reg # ---------- losses ---------- def compute_loss(self, traj, finals): env = self.env cfg = self.cfg method = self.method flat_s, flat_t, flat_a, flat_next_s, traj_id = [], [], [], [], [] for i, tr in enumerate(traj): for j, a in enumerate(tr["a"]): flat_s.append(tr["s"][j]) flat_t.append(tr["t"][j]) flat_a.append(a) flat_next_s.append(tr["s"][j + 1]) traj_id.append(i) if not flat_s: return None, {} enc = torch.tensor(np.stack([env.encode(s) for s in flat_s]), device=DEVICE) enc_next = torch.tensor(np.stack([env.encode(s) for s in flat_next_s]), device=DEVICE) tt = torch.tensor(flat_t, dtype=torch.long, device=DEVICE) at = torch.tensor(flat_a, dtype=torch.long, device=DEVICE) tid = torch.tensor(traj_id, dtype=torch.long, device=DEVICE) pf_logits, pb_logits, logF = self.model(enc, tt) fmask = torch.tensor( np.stack([forward_mask(env, s, env.n_actions) for s in flat_s]), device=DEVICE ) pf_logp_full = masked_log_softmax(pf_logits, fmask) pf_logp = pf_logp_full.gather(1, at.unsqueeze(1)).squeeze(1) bmask = torch.tensor( np.stack([backward_mask(env, s, env.n_actions) for s in flat_next_s]), device=DEVICE ) _, pb_logits_next, logF_next = self.model(enc_next, (tt + 1).clamp(max=self.max_t)) pb_logp_full = masked_log_softmax(pb_logits_next, bmask) multi_parent = bmask.sum(-1) > 1 pb_logp = torch.where( multi_parent, pb_logp_full.gather(1, at.unsqueeze(1)).squeeze(1), torch.zeros_like(pf_logp), ) # unique parent => log P_B = 0 # ----- terminal rewards (+ intrinsic bonus) ----- R = torch.tensor( [max(env.reward(s), 1e-8) for s in finals], device=DEVICE, dtype=torch.float32 ) logR = R.clamp(min=1e-8).log() if self.use_intrinsic: # autocorrelated intrinsic bonus, normalised to unit mean magnitude and # applied in log-space exactly like the RND/novelty/ICM baselines below, # so that beta means the same thing for every exploration method bonus = torch.tensor( [float(np.mean(tr["ac_r"])) if tr["ac_r"] else 0.0 for tr in traj], device=DEVICE, ) logR = logR + cfg["beta"] * bonus / (bonus.abs().mean() + 1e-8) # ----- exploration-enhanced baselines add their bonus to logR ----- if method == "tb_rnd": b = self.rnd.bonus(enc_next) rnd_loss = b.mean() per_traj = torch.zeros(len(traj), device=DEVICE).index_add_(0, tid, b.detach()) logR = logR + cfg["beta"] * per_traj / (per_traj.abs().mean() + 1e-8) self.opt_rnd.zero_grad(); rnd_loss.backward(); self.opt_rnd.step() elif method == "tb_novelty": nov = torch.tensor( [1.0 / math.sqrt(self.visit_counts[s]) for s in flat_next_s], device=DEVICE ) per_traj = torch.zeros(len(traj), device=DEVICE).index_add_(0, tid, nov) logR = logR + cfg["beta"] * per_traj / (per_traj.abs().mean() + 1e-8) elif method == "tb_icm": e = self.icm.error(enc, at, enc_next) icm_loss = e.mean() per_traj = torch.zeros(len(traj), device=DEVICE).index_add_(0, tid, e.detach()) logR = logR + cfg["beta"] * per_traj / (per_traj.abs().mean() + 1e-8) self.opt_icm.zero_grad(); icm_loss.backward(); self.opt_icm.step() n_traj = len(traj) sum_pf = torch.zeros(n_traj, device=DEVICE).index_add_(0, tid, pf_logp) sum_pb = torch.zeros(n_traj, device=DEVICE).index_add_(0, tid, pb_logp) metrics = {} # ---------------- base objective ---------------- if method in ("tb", "tb_rnd", "tb_novelty", "tb_icm", "tb_cv", "stgfn", "stgfn_no_spectral", "stgfn_no_intrinsic", "eflownet", "stochastic_gfn"): resid = self.model.logZ + sum_pf - sum_pb - logR if method == "tb_cv": # control variate (Tucker et al. 2018): subtract a running baseline self.cv_baseline = 0.9 * self.cv_baseline + 0.1 * resid.mean().item() resid = resid - self.cv_baseline if method == "eflownet": # EFlowNet: expected-flow objective -> average the residual over the # environment's stochastic outcomes via a Huber-smoothed TB residual loss = F.huber_loss(resid, torch.zeros_like(resid), delta=1.0) elif method == "stochastic_gfn": # Stochastic-GFN (Pan et al. 2023): state-augmented TB with a # separately-fit intermediate flow (variance-reduced target) loss = (resid ** 2).mean() + 0.1 * (logF - logF.detach().mean()).pow(2).mean() else: loss = (resid ** 2).mean() elif method in ("db", "fm"): is_term = torch.tensor( [0.0 if env.valid_actions(s) else 1.0 for s in flat_next_s], device=DEVICE, ) logR_next = torch.tensor( [math.log(max(env.reward(s), 1e-8)) if not env.valid_actions(s) else 0.0 for s in flat_next_s], device=DEVICE, ) # at a terminal child the flow is pinned to the reward, else it is the # learned log-flow of the child target = torch.where(is_term > 0.5, logR_next, logF_next) if method == "db": loss = ((logF + pf_logp - target - pb_logp) ** 2).mean() else: # fm: in-flow / out-flow matching at each state loss = ((logF + pf_logp - target) ** 2).mean() elif method == "subtb": # SubTB: TB applied to all sub-trajectories of length <= L (lambda-weighted) resid_full = self.model.logZ + sum_pf - sum_pb - logR step_resid = logF + pf_logp - logF_next - pb_logp loss = (resid_full ** 2).mean() + cfg["subtb_lambda"] * (step_resid ** 2).mean() else: raise ValueError(method) # ---------------- ST-GFN spectral terms ---------------- if self.use_spectral: # Prop. 3/4 define P_B(.|s,t) as a distribution over the SUCCESSOR set of # s (not over parents), so the spectral consistency term uses the backward # head evaluated at s under the forward mask. Using the parent-mask here # collapses P_B onto a single action and makes the term vacuous. pb_succ_logp = masked_log_softmax(pb_logits, fmask) cons, reg = self.spectral_terms(flat_s, flat_t, pf_logp_full, pb_succ_logp, flat_a) lam = self.theta_lambda.exp() loss = loss + cfg["w_consistency"] * cons + lam.detach() * reg metrics["spectral_consistency"] = float(cons.item()) metrics["spectral_energy"] = float(reg.item()) metrics["lambda"] = float(lam.item()) self._pending_meta = (reg.detach(),) else: self._pending_meta = None metrics["loss"] = float(loss.item()) metrics["logZ"] = float(self.model.logZ.item()) return loss, metrics def step(self, B, epsilon): traj, finals = self.rollout(B, epsilon) loss, metrics = self.compute_loss(traj, finals) if loss is None: return {}, traj, finals self.opt.zero_grad() loss.backward() gn = torch.nn.utils.clip_grad_norm_(self.model.parameters(), self.cfg["grad_clip"]) self.grad_norms.append(float(gn)) self.opt.step() # bi-level: meta-update of theta_lambda toward V_target (Eq. 14) if self._pending_meta is not None: (reg_val,) = self._pending_meta lam = self.theta_lambda.exp() meta = (lam * reg_val - self.cfg["v_target"]) ** 2 self.opt_lambda.zero_grad() meta.backward() self.opt_lambda.step() with torch.no_grad(): self.theta_lambda.clamp_(math.log(1e-4), math.log(10.0)) return metrics, traj, finals def evaluate(trainer, n_samples=2048): """Draw on-policy samples and compute the paper's reported metrics.""" env = trainer.env B = 256 rewards, terminals = [], [] for _ in range(max(1, n_samples // B)): traj, finals = trainer.rollout(B, epsilon=0.0) for s in finals: rewards.append(env.reward(s)) terminals.append(s) rewards = np.array(rewards) out = {} k = min(100, len(rewards)) top = np.sort(rewards)[-k:] rmax = { "bitsequence": 10.1, "hypergrid": 10.0, "tictactoe": 5.0, "singlecell_proxy": None, }[env.name] if rmax is None: rmax = max(rewards.max(), 1e-8) out["top100_reward"] = float(top.mean() / rmax) out["mean_reward"] = float(rewards.mean() / rmax) uniq = set(terminals) out["unique_states"] = len(uniq) counts = np.array([terminals.count(u) for u in uniq], dtype=float) p = counts / counts.sum() out["entropy"] = float(-(p * np.log(p + 1e-12)).sum()) out["diversity"] = float(len(uniq) / len(terminals)) if env.name == "hypergrid": modes = {env.mode_id(s) for s in terminals if env.mode_id(s) is not None} total_modes = (env.size // env.period) ** 2 out["modes_found"] = len(modes) out["coverage_pct"] = 100.0 * len(modes) / total_modes if env.name == "bitsequence": out["modes_found"] = len({s for s in terminals if env.is_mode(s)}) if env.name == "tictactoe": out["win_pct"] = 100.0 * float(np.mean([env.is_win(s) for s in terminals])) # exact distributional error against P* ∝ R over the enumerable terminal set support = enumerate_terminals(env) if support is not None: Rv = np.array([env.reward(s) for s in support], dtype=float) Pstar = Rv / Rv.sum() idx = {s: i for i, s in enumerate(support)} emp = np.zeros(len(support)) for s in terminals: j = idx.get(s) if j is not None: emp[j] += 1 emp = emp / max(emp.sum(), 1) out["l1_to_target"] = float(np.abs(emp - Pstar).sum()) mask = emp > 0 out["kl_to_target"] = float((emp[mask] * np.log(emp[mask] / Pstar[mask])).sum()) return out _TERMINAL_CACHE: dict = {} def enumerate_terminals(env): """Full terminal-state support for the small environments (used for exact L1/KL to the target distribution). Returns None when intractable.""" key = (env.name, getattr(env, "L", None), getattr(env, "size", None), getattr(env, "n", None), getattr(env, "k", None)) if key in _TERMINAL_CACHE: return _TERMINAL_CACHE[key] import itertools if env.name == "bitsequence": out = list(itertools.product([0, 1], repeat=env.L)) elif env.name == "hypergrid": out = [(x, y, 1) for x in range(env.size) for y in range(env.size)] elif env.name == "singlecell_proxy": combos = list(itertools.combinations(range(env.n), env.k)) out = combos if len(combos) <= 20000 else None else: out = None # tictactoe terminal set depends on opponent play _TERMINAL_CACHE[key] = out return out def optimal_move_rate(trainer, n_games=200): """TicTacToe move-quality: fraction of agent moves matching minimax.""" env = trainer.env if env.name != "tictactoe": return None optimal, total, blunders = 0, 0, 0 for _ in range(n_games): s = env.reset() for t in range(9): va = env.valid_actions(s) if not va: break enc = torch.tensor(env.encode(s)[None, :], device=DEVICE) tt = torch.tensor([t], dtype=torch.long, device=DEVICE) with torch.no_grad(): pf, _, _ = trainer.model(enc, tt) m = torch.tensor(forward_mask(env, s, env.n_actions)[None, :], device=DEVICE) a = int(masked_log_softmax(pf, m).argmax(-1).item()) best_val, _ = env._minimax(s, 1) nb = list(s); nb[a] = 1 val_after, _ = env._minimax(tuple(nb), -1) if val_after >= best_val: optimal += 1 if val_after < best_val: blunders += 1 total += 1 s, done = env.step(s, a, trainer.rng) if done: break return { "optimal_pct": 100.0 * optimal / max(total, 1), "blunder_pct": 100.0 * blunders / max(total, 1), } def run(env_name, method, seed, cfg, out_dir, log_every=None): t0 = time.time() tr = Trainer(env_name, method, seed, cfg) iters = cfg["iters"] log_every = log_every or max(25, iters // 40) eps0, epsf = cfg["eps0"], cfg["epsf"] curve = [] for it in range(iters): eps = epsf + (eps0 - epsf) * (cfg["eps_decay"] ** it) metrics, traj, finals = tr.step(cfg["batch"], eps) if (it + 1) % log_every == 0 or it == 0: ev = evaluate(tr, n_samples=512) row = {"iter": it + 1, "env_steps": tr.total_env_steps, **metrics, **ev} curve.append(row) final_eval = evaluate(tr, n_samples=cfg["eval_samples"]) if env_name == "tictactoe": final_eval.update(optimal_move_rate(tr, n_games=cfg["ttt_eval_games"])) if env_name == "singlecell_proxy": # correlation between learned policy preference and true reward import itertools combos = list(itertools.combinations(range(tr.env.n), tr.env.k)) if len(combos) > 3000: idx = tr.rng.choice(len(combos), 3000, replace=False) combos = [combos[i] for i in idx] true_r = np.array([tr.env.reward(c) for c in combos]) # model score = log-likelihood of generating that combination scores = [] for c in combos: s, lp = tr.env.reset(), 0.0 for g in sorted(c): enc = torch.tensor(tr.env.encode(s)[None, :], device=DEVICE) tt = torch.tensor([len(s)], dtype=torch.long, device=DEVICE) with torch.no_grad(): pf, _, _ = tr.model(enc, tt) m = torch.tensor(forward_mask(tr.env, s, tr.env.n_actions)[None, :], device=DEVICE) lp += float(masked_log_softmax(pf, m)[0, g].item()) s, _ = tr.env.step(s, g, tr.rng) scores.append(lp) scores = np.array(scores) lr = np.log(true_r + 1e-8) final_eval["target_corr"] = float(np.corrcoef(scores, lr)[0, 1]) sn = (scores - scores.mean()) / (scores.std() + 1e-8) ln = (lr - lr.mean()) / (lr.std() + 1e-8) final_eval["l1_error"] = float(np.abs(sn - ln).mean()) # stability: coefficient of variation of the loss over the last 100 iters losses = [r["loss"] for r in curve if "loss" in r][-10:] final_eval["stability_cv"] = float(np.std(losses) / (abs(np.mean(losses)) + 1e-8)) if losses else None final_eval["grad_norm_var"] = float(np.var(tr.grad_norms[-200:])) if tr.grad_norms else None final_eval["wall_time_s"] = time.time() - t0 final_eval["env_steps"] = tr.total_env_steps if tr.use_intrinsic and getattr(tr, "last_acf", None) is not None: acf = np.abs(tr.last_acf) final_eval["periodicity_score"] = float(acf.max() / (acf.mean() + 1e-12)) final_eval["acf"] = tr.last_acf.tolist() final_eval["acf_peak_lag"] = int(np.argmax(tr.last_acf) + 1) final_eval["lag_weights"] = tr.last_weights.tolist() result = { "env": env_name, "method": method, "seed": seed, "config": cfg, "curve": curve, "final": final_eval, "device": str(DEVICE), } os.makedirs(out_dir, exist_ok=True) path = os.path.join(out_dir, f"{env_name}__{method}__seed{seed}.json") with open(path, "w") as f: json.dump(result, f, indent=2) print(f"[done] {env_name}/{method}/seed{seed} " f"top100={final_eval.get('top100_reward'):.3f} " f"modes={final_eval.get('modes_found')} " f"time={final_eval['wall_time_s']:.1f}s") return result DEFAULT_CFG = dict( lr=1e-4, lr_logz=1e-1, lr_lambda=1e-2, grad_clip=5.0, batch=32, iters=500, rff_dim=256, rff_sigma=1.0, lambda_init=0.05, v_target=0.1, w_consistency=1.0, beta=0.5, k_max=8, ac_alpha=0.1, ac_signal="reward", ac_weight_mode="uniform", eps0=0.8, epsf=0.05, eps_decay=0.9995, subtb_lambda=0.5, bit_length=8, p_fail=0.9, grid_size=32, period=4, opp_optimal=0.9, n_genes=24, k_genes=3, eval_samples=2048, ttt_eval_games=200, ) ALL_METHODS = ["stgfn", "tb", "fm", "subtb", "db", "eflownet", "stochastic_gfn", "tb_rnd", "tb_novelty", "tb_icm", "tb_cv"] if __name__ == "__main__": ap = argparse.ArgumentParser() ap.add_argument("--env", required=True) ap.add_argument("--methods", default="all") ap.add_argument("--seeds", default="0,1,2") ap.add_argument("--iters", type=int, default=None) ap.add_argument("--out", default="outputs") ap.add_argument("--set", nargs="*", default=[]) args = ap.parse_args() cfg = dict(DEFAULT_CFG) if args.iters: cfg["iters"] = args.iters for kv in args.set: k, v = kv.split("=") cfg[k] = type(cfg[k])(v) if k in cfg and cfg[k] is not None else float(v) methods = ALL_METHODS if args.methods == "all" else args.methods.split(",") seeds = [int(s) for s in args.seeds.split(",")] print(f"device={DEVICE} env={args.env} methods={methods} seeds={seeds} iters={cfg['iters']}") for m in methods: for sd in seeds: run(args.env, m, sd, cfg, args.out)