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节点 n13

manifold_ode v2:ODE 速度范数只做型内细胞选择(不再位移表达),叠加两阶段类型频率趋势重加权;单输入退路=心脏解剖组成先验重加权+型内增殖程序(λ=0.15)。

运行?一次完整的自动搜索或 Agent 会话,有自己的锁定配置和证据包。20261003-093415-search-t1-r2-D-s1
父节点n11
子节点n16
操作?种子:人写的起点;改进:在父节点上改;草稿:从头写;修复:修父节点的报错。改进
状态已打分
分数搜索目标分 53.61(+5.8) · X3 50.31(+4.9) · proxy10 60.21(+7.5) · 3 次复测均分 54.01
审查未审查
用时?从运行开始到结束(或到现在)的挂钟时间。28 分
程序版本3207dea9bbae39d6924cca0ffe796e838cfa86f4 (programs.git)

方法说明?节点程序自带的 METHOD.md:这个程序做了什么、为什么。

来自 programs.git 3207dea9bb:solution/METHOD.md

manifold_ode v2:ODE 速度范数只做型内细胞选择(不再位移表达),叠加两阶段类型频率趋势重加权;单输入退路=心脏解剖组成先验重加权+型内增殖程序(λ=0.15)。

方法(family_id: manifold_ode,按 PLAN Fix1/Fix2 实现后按查分证据修正)

两输入路径(X3、final)
  1. ODE 训练与节点 11 相同:HVG(2500)+PCA(25) 潜空间,MLP 26→48→48→25,Sinkhorn(blur=0.05) 匹配相邻输入阶段,λ_v=0.05,kNN(k=8) 流形惩罚 λ_m=0.1,≤200 epochs/120s。
  2. 组成(型间):按两阶段类型频率趋势外推 w_t = c1_t · clip((c1_t+5)/(c0_t+5), 0.2, 5)^T,T=(t_target−t_last)/(t_last−t_prev) 并截断 ≤2;largest_remainder 分配 n_out。纯数据驱动,无硬编码类型名。
  3. 机制(型内,ODE 速度):对末阶段全部细胞算 v_i=f(z_i,t=1),型内按 w_i=1+γ·clip(||v_i||/型内中位数,0.2,3)−1(γ=0.5)做无放回加权抽样(Gumbel top-k,seed 确定)——速度大的细胞(更动态/更晚成熟)被优先选中。表达不做任何位移(α=0 默认;PLAN 的 rank-K 速度投影位移已实现并用查分否决,见下)。
单输入路径(proxy10)

无法训练 ODE,继承节点 3/7 已验证策略(父节点教训:新家族在某视图无法运作时应继承父策略而非裸复制):

  1. src.task1_temporal.reweight 的解剖组成先验(心脏类型×1.6、边缘外胚层等×0.25、Neural Tube 剔除)重抽样 n_out 个真实细胞;
  2. 型内表达程序 x_out = clip(x + λ·(x − mean_type)·z, 0),λ=0.15,z=型内增殖评分(16 个细胞周期标记基因均值,通用知识:Mki67/Top2a/Ccnb1/Cdk1 等)的归一化秩×2(均值≈1),即高增殖(更晚期)细胞被推离型均值更多——伪时间梯度替代 ODE 速度的退化形式。

对照与机制证据(X3,seed 0,A 半)

  • 机制开(默认):X3 = 52.37(de_score +0.100,mmd 得分 16.33)。
  • MECH_OFF=1(跳过型内速度加权→均匀抽样,λ_m=0,无位移;型间趋势重加权保留):X3 = 51.32(de_score +0.086,mmd 15.76)。机制净贡献 +1.05,主要落在 cell_state(mmd) 与 de 两项;速度加权确实改变了被选中的细胞集合(输出逐元素不同)。
  • 位移机制被否决的证据:rank-5 速度投影位移 α=0.2 → X3 45.82(de_score −0.243、variogram 0.00203);纯速度范数全局重加权(无位移、无趋势重加权)→ 46.88(de_score −0.286)。说明 ODE 位移方向在 X3 上仍系统性押反,全局速度重加权也押错;把速度只用于型内排序后 de_score 首次转正(−0.22→+0.10)。
  • proxy10 上被否决的变体:型内增殖加权抽样(maturity selection)+λ0.15 → 55.15,比均匀抽样+λ0.15 的 59.76 差 4.6(variogram 0.00103→0.00150),已回退。λ 扫描:0 → 59.04,0.15 → 59.76,0.3 → 58.96。

查分结果(A 半,seed 0)

  • proxy10 = 59.76(父 52.75,de_direction 0.277、mmd 0.0288);X3 = 52.37(父 45.41,copy_last 47.92)。估算节点分 (59.76+2×52.37)/3 ≈ 54.8(父 47.86)。

已验证 / 未验证

  • 已验证:两视图跑通、vec-check 通过、seed 确定(Gumbel/rng 全部走 default_rng(seed),torch.manual_seed(seed))、MECH_OFF 对照、λ/α/γ 部分扫描。视图无关:只用时间差比值 T 与视图内数据,无绝对时间、无路径/视图名判断。
  • 未验证:final(E8.5+E9.5→E10.5,T=1,此时趋势外推更温和);γ、T 截断细扫;rank-K 位移在 final 上是否不同;proxy2 视图。
  • 知识来源:细胞周期标记基因为通用增殖知识(非禁窗测量);心脏解剖组成先验来自 harness 提供的 src.task1_temporal.reweight 快照(官方种子方法);未用任何保留阶段/禁窗数据。

下一步

  1. proxy10 的 λ 程序输出稠密、损伤 variogram:可把程序限制在 HVG 或保持稀疏(只对非零元素位移)。2) X3 型间趋势的 T 截断与平滑 s 可细扫;3) 型内速度选择可换为速度在型内秩(对尺度更稳健)。

调研员的计划

名称manifold_ode: velocity-guided sparse shift replacing PCA decode + proxy10 expression program
动机Node 11's two structural failures: (1) proxy10 fallback to bare copy_last loses -10.92 vs node 3's 63.66 (de_score 0.268→0.016, de_direction 0.36→0.179, mmd_u 0.0298→0.0405); (2) X3 PCA linear decode destroys covariation (variogram 0.00138→0.00231, -2.91 pts) and ODE displacement direction is wrong (de_score -0.221). Node 7 proved per-type displacement with β=1.0 turns de_score positive (-0.18→-0.026) while node 10 showed successor selection preserves variogram. The manifold penalty works (+3.8 vs off) but cannot rescue a wrong decode.
做法Two structural fixes to run.py:

Fix 1 – Replace PCA decode with velocity-projected sparse gene shift (X3/two-input path):
1. Train ODE exactly as node 11 (Sinkhorn blur=0.05, λ_v=0.05, λ_m=0.1 kNN penalty, 25-dim PCA latent, ≤200 epochs/120s). Keep manifold penalty ON.
2. After training, compute velocity v_i = f(z_last_i, t=1) for each selected last-stage cell.
3. Project v_i onto top-K=5 PCA components (by explained variance) → low-rank velocity in latent space. Back-project ONLY this 5-dim projection to gene space: δ_i = (v_proj @ components[:5]) restricted to HVG columns. This is a rank-5 shift, not a full PCA decode.
4. Apply shift with per-cell damping: x_out = x_in + α·δ, α=0.3 (start; search 0.1–0.5). Clip ≥0. Only modify genes where |δ|>0.01·std(gene); leave others untouched → preserves sparsity and covariation of unmodified genes.
5. Additionally use ||v_i|| as sampling weight: w_i = 1 + γ·(||v_i||/median(||v||) - 1), γ=0.3. Sample n_out cells with replacement proportional to w_i. This shifts composition toward more dynamic cells without changing their expression.
6. Key difference from node 11: no full PCA reconstruction, no residual add-back. Only 5 directions × HV…
风险1) Rank-5 projection may still not capture correct DE direction (de_score stays negative) → Engineer checks de_score sign after first X3 query; if negative, reduce to K=3 or α=0.1. 2) Velocity-norm reweighting might worsen mmd_u if high-velocity cells are a rare population → check mmd_u component; if worse, set γ=0. 3) proxy10 λ-program might not help if proliferation markers are uninformative → compare against node 3's proxy10 score (63.66) as target. 4) Training time: ODE training ≤120s + DPT ≤30s should fit in 30-min budget.

代码改动?这个节点的程序和父节点程序的逐行差别:绿色是新增,红色是删除。

对比:父节点版本 1ec6cca39c。改动的文件:solution/METHOD.md +23 −23、solution/run.py +202 −63

diff --git a/solution/METHOD.md b/solution/METHOD.mdindex 4a494bc..f149c74 100644--- a/solution/METHOD.md+++ b/solution/METHOD.md@@ -1,29 +1,29 @@-manifold_ode:PCA(25维,HVG2500)潜空间非自治神经ODE,Sinkhorn拟合相邻输入阶段,kNN流形惩罚,单步阻尼外推(α=0.3)+残差解码;单输入阶段回退为末阶段均匀复制。+manifold_ode v2:ODE 速度范数只做型内细胞选择(不再位移表达),叠加两阶段类型频率趋势重加权;单输入退路=心脏解剖组成先验重加权+型内增殖程序(λ=0.15)。 -## 方法(family_id: manifold_ode,按 PLAN 实现)-- 输入 ≥2 阶段时:取最后两个输入阶段,各采样 ≤2500 细胞,HVG(2500,按合并方差) + sklearn PCA(25)。-- 场 f(z,t):MLP 26→48→48→25,tanh;t∈[0,1] 作为额外输入(非自治)。5 步 Euler 固定积分。-- 损失:geomloss SamplesLoss(sinkhorn, blur=0.05) 匹配前一阶段推后的潜位置到末阶段潜位置;λ_v=0.05 速度正则;λ_m=0.1 kNN(k=8) 流形惩罚,r=1.5×训练潜点 kNN 距离中位数,在积分第 2/3/4 步施加。Adam lr=1e-3,batch=512,≤200 epochs / 120s,50 epoch 无改善 early stop。-- 外推:对末阶段全部选中细胞,从 z_last 应用一次单位流(n_units=1),阻尼 α=0.3:z_pred = z_last + α(z_out − z_last)。PLAN 的 n_units=round(Δt目标/Δt训练)、α=0.6 在 X3 上更差(见下),故默认改为 1 步、α=0.3。-- 解码:x_out = x_in + (z_pred−z_last)@components(等价于 PLAN 的线性解码+逐细胞残差加回),限 HVG 列;非 HVG 列原样复制输入细胞;clip≥0,稀疏输出。-- 单输入阶段(proxy10):无法训练 ODE,回退为末阶段均匀复制(等同 copy_last),符合 PLAN 第 7 步。-- 细胞数 = clip(末阶段细胞数, min_cells, max_cells),rng(seed) 确定抽样。视图无关:只用时间差比值 (t_target−t_last)/(t_last−t_prev),对时间平移不变;不读视图路径/名称。+## 方法(family_id: manifold_ode,按 PLAN Fix1/Fix2 实现后按查分证据修正)+### 两输入路径(X3、final)+1. ODE 训练与节点 11 相同:HVG(2500)+PCA(25) 潜空间,MLP 26→48→48→25,Sinkhorn(blur=0.05) 匹配相邻输入阶段,λ_v=0.05,kNN(k=8) 流形惩罚 λ_m=0.1,≤200 epochs/120s。+2. **组成(型间)**:按两阶段类型频率趋势外推 w_t = c1_t · clip((c1_t+5)/(c0_t+5), 0.2, 5)^T,T=(t_target−t_last)/(t_last−t_prev) 并截断 ≤2;largest_remainder 分配 n_out。纯数据驱动,无硬编码类型名。+3. **机制(型内,ODE 速度)**:对末阶段全部细胞算 v_i=f(z_i,t=1),型内按 w_i=1+γ·clip(||v_i||/型内中位数,0.2,3)−1(γ=0.5)做无放回加权抽样(Gumbel top-k,seed 确定)——速度大的细胞(更动态/更晚成熟)被优先选中。**表达不做任何位移**(α=0 默认;PLAN 的 rank-K 速度投影位移已实现并用查分否决,见下)。 -## 对照与机制证据(X3 视图,seed 0,A 半)-- 机制开(MANIFOLD_OFF 未设,n_units=2, α=0.6):X3 = 45.47(covariation 36.0)。-- 机制关(MANIFOLD_OFF=1,λ_m=0,其余相同):X3 = 41.67(covariation 30.19)。流形惩罚生效:+3.8 总分,covariation +5.8,说明 kNN 约束确实保护了共变结构、改变了输出(非恒等)。-- ODE_OFF=1 标志走绝对基线(均匀复制)。-- α/n_units 扫描(X3):u2/α0.6=45.47;u1/α0.7=42.79;u1/α0.3=46.63。α 越大越差 → 外推方向在 X3 上系统性偏差。+### 单输入路径(proxy10)+无法训练 ODE,继承节点 3/7 已验证策略(父节点教训:新家族在某视图无法运作时应继承父策略而非裸复制):+1. `src.task1_temporal.reweight` 的解剖组成先验(心脏类型×1.6、边缘外胚层等×0.25、Neural Tube 剔除)重抽样 n_out 个真实细胞;+2. 型内表达程序 x_out = clip(x + λ·(x − mean_type)·z, 0),λ=0.15,z=型内增殖评分(16 个细胞周期标记基因均值,通用知识:Mki67/Top2a/Ccnb1/Cdk1 等)的归一化秩×2(均值≈1),即高增殖(更晚期)细胞被推离型均值更多——伪时间梯度替代 ODE 速度的退化形式。 -## 查分结果-- proxy10(回退=copy_last):52.97(de_recovery 51.5 / direction 58.7 / cell_state 51.7 / covariation 49.6)。-- X3 最佳 ODE 配置(u1, α0.3):46.63,仍低于 X3 上 copy_last(节点1:47.92)。-- 结论(如实报告):manifold_ode 在 X3 外推检验上不敌复制基线;de_score 为负说明学到的位移方向与真值部分反号。流形约束相对无约束是正贡献,但不足以弥补。+## 对照与机制证据(X3,seed 0,A 半)+- 机制开(默认):X3 = 52.37(de_score +0.100,mmd 得分 16.33)。+- MECH_OFF=1(跳过型内速度加权→均匀抽样,λ_m=0,无位移;型间趋势重加权保留):X3 = 51.32(de_score +0.086,mmd 15.76)。**机制净贡献 +1.05**,主要落在 cell_state(mmd) 与 de 两项;速度加权确实改变了被选中的细胞集合(输出逐元素不同)。+- 位移机制被否决的证据:rank-5 速度投影位移 α=0.2 → X3 45.82(de_score −0.243、variogram 0.00203);纯速度范数全局重加权(无位移、无趋势重加权)→ 46.88(de_score −0.286)。说明 ODE 位移方向在 X3 上仍系统性押反,全局速度重加权也押错;把速度只用于**型内**排序后 de_score 首次转正(−0.22→+0.10)。+- proxy10 上被否决的变体:型内增殖加权抽样(maturity selection)+λ0.15 → 55.15,比均匀抽样+λ0.15 的 59.76 差 4.6(variogram 0.00103→0.00150),已回退。λ 扫描:0 → 59.04,0.15 → 59.76,0.3 → 58.96。++## 查分结果(A 半,seed 0)+- proxy10 = 59.76(父 52.75,de_direction 0.277、mmd 0.0288);X3 = 52.37(父 45.41,copy_last 47.92)。估算节点分 (59.76+2×52.37)/3 ≈ 54.8(父 47.86)。  ## 已验证 / 未验证-- 已验证:两视图跑通、vec-check 通过、seed 确定、机制对照差异显著、X3 四组分分解。-- 未验证:final 视图(E8.5+E9.5→E10.5,T=1)上的表现;α>0.7 或多单位外推组合;λ_m 细扫(0.02–0.3 只用了 0.1);PCA 维数/HVG 数敏感性。-- 知识来源:无保留阶段/禁窗数据;只用视图内输入数据。方法学参考 PLAN(k032:单间隔弱辨识,需非自治/阻尼)。+- 已验证:两视图跑通、vec-check 通过、seed 确定(Gumbel/rng 全部走 default_rng(seed),torch.manual_seed(seed))、MECH_OFF 对照、λ/α/γ 部分扫描。视图无关:只用时间差比值 T 与视图内数据,无绝对时间、无路径/视图名判断。+- 未验证:final(E8.5+E9.5→E10.5,T=1,此时趋势外推更温和);γ、T 截断细扫;rank-K 位移在 final 上是否不同;proxy2 视图。+- 知识来源:细胞周期标记基因为通用增殖知识(非禁窗测量);心脏解剖组成先验来自 harness 提供的 `src.task1_temporal.reweight` 快照(官方种子方法);未用任何保留阶段/禁窗数据。 -## 下一步建议-X3 显示潜空间外推方向不可靠:可尝试把位移限制在少量高置信 PCA 程序方向、或仅对组成/型内选择做外推(如节点 3/7 家族),ODE 只用于型内成熟度排序而非直接位移。+## 下一步+1) proxy10 的 λ 程序输出稠密、损伤 variogram:可把程序限制在 HVG 或保持稀疏(只对非零元素位移)。2) X3 型间趋势的 T 截断与平滑 s 可细扫;3) 型内速度选择可换为速度在型内秩(对尺度更稳健)。diff --git a/solution/run.py b/solution/run.pyindex 9d5b9ff..27de9fa 100644--- a/solution/run.py+++ b/solution/run.py@@ -1,6 +1,16 @@ #!/usr/bin/env python-"""manifold_ode: PCA-latent non-autonomous neural ODE, Sinkhorn fit + kNN manifold-penalty, damped extrapolation. Single-input fallback: uniform copy of last stage."""+"""manifold_ode v2: ODE velocity field on kNN-constrained PCA latent.++Two-input path: train ODE (Sinkhorn + manifold penalty) as node 11, then+  (a) rank-K velocity projection back-projected to gene space as a sparse+      per-cell shift (replaces full PCA decode),+  (b) velocity-norm reweighted sampling of last-stage cells (composition).+Single-input path: anatomical composition reweighting (src reweight prior)+  + within-type expression program x + lam*(x - mean_type)*z_fate, where+  z_fate is a proliferation-signature pseudotime proxy (degenerate+  velocity: pseudotime gradient substitutes for ODE velocity).+MECH_OFF=1 disables both mechanisms (uniform copy of last stage).+""" import argparse import json import os@@ -13,6 +23,11 @@ import torch import torch.nn as nn from geomloss import SamplesLoss +PROLIF_MARKERS = [+    "Mki67", "Top2a", "Ccnb1", "Cdk1", "Birc5", "Aurkb", "Ccna2", "Pcna",+    "Mcm2", "Mcm5", "Rrm2", "Tyms", "Cdc20", "Ube2c", "Kpna2", "Hmgb2",+]+  def load_genes(view):     with open(os.path.join(view, "genes.txt")) as f:@@ -47,56 +62,91 @@ def write_out(path, X, genes):     a.write(path)  -def main():-    p = argparse.ArgumentParser()-    p.add_argument("--data", required=True)-    p.add_argument("--out", required=True)-    p.add_argument("--seed", type=int, required=True)-    args = p.parse_args()+def weighted_sample(n_pool, n_out, w, rng):+    """Weighted sampling without replacement (Gumbel top-k), or with if pool small."""+    if n_pool <= n_out:+        p = w / w.sum()+        return rng.choice(n_pool, size=n_out, replace=True, p=p)+    keys = rng.gumbel(size=n_pool) + np.log(np.maximum(w, 1e-12))+    idx = np.argsort(-keys)[:n_out]+    idx.sort()+    return idx -    seed = args.seed-    rng = np.random.default_rng(seed)-    torch.manual_seed(seed) -    manifold_off = os.environ.get("MANIFOLD_OFF", "0") == "1"-    ode_off = os.environ.get("ODE_OFF", "0") == "1"+# ---------------------------------------------------------------- single input+def single_input_path(last, n_out, genes, rng, mech_off, lam):+    labels = last.obs["celltype"].astype(str).to_numpy()+    X = last.X -    view = args.data-    genes = load_genes(view)-    with open(os.path.join(view, "manifest.json")) as f:-        man = json.load(f)-    inputs = sorted(man["inputs"], key=lambda e: e["time"])-    min_c, max_c = man["min_cells"], man["max_cells"]-    t_target = man["target"]["time"]+    if mech_off:+        return uniform_copy(last, n_out, rng) -    last = read_input(view, inputs[-1])-    n_out = int(np.clip(last.n_obs, min_c, max_c))+    # --- composition reweighting (anatomical prior from src snapshot) ---+    from src.task1_temporal.reweight import (+        DROP_TYPES, type_weights, largest_remainder,+    )+    types = [t for t in np.unique(labels).tolist() if t not in DROP_TYPES]+    counts = np.array([(labels == t).sum() for t in types], dtype=np.float64)+    alloc = largest_remainder(counts * type_weights(types, 1.6, 0.25), n_out) -    if ode_off or len(inputs) < 2:-        X = uniform_copy(last, n_out, rng)-        write_out(args.out, X, genes)-        return+    # --- proliferation pseudotime proxy on full stage (for maturity selection) ---+    var_arr = np.asarray(last.var_names)+    pos = {g: i for i, g in enumerate(var_arr)}+    cols = [pos[g] for g in PROLIF_MARKERS if g in pos]+    Xd_all = X.toarray()+    if cols:+        prolif_all = Xd_all[:, cols].mean(axis=1)+    else:+        prolif_all = Xd_all.sum(axis=1)++    sel_idx, sel_type = [], []+    for t, n in zip(types, alloc):+        if n <= 0:+            continue+        pool = np.flatnonzero(labels == t)+        n = int(n)+        ch = rng.choice(pool, size=n, replace=pool.size < n)+        sel_idx.append(ch)+        sel_type.append(np.full(len(ch), t))+    sel_idx = np.concatenate(sel_idx)+    sel_type = np.concatenate(sel_type)++    Xsel = X[sel_idx].astype(np.float32)+    prolif = prolif_all[sel_idx]++    # --- within-type expression program ---+    Xd = Xsel.toarray()+    out = Xd.copy()+    for t in np.unique(sel_type):+        m = sel_type == t+        mt = Xd[m].mean(axis=0)+        n_t = int(m.sum())+        if n_t >= 10:+            r = np.argsort(np.argsort(prolif[m]))+            z = 2.0 * (r + 1) / (n_t + 1)  # mean ~1, high-prolif = advanced+        else:+            z = np.ones(n_t)+        out[m] = Xd[m] + lam * (Xd[m] - mt) * z[:, None]+    np.clip(out, 0.0, None, out=out)+    return sp.csr_matrix(out.astype(np.float32)) -    prev = read_input(view, inputs[-2])-    t_prev, t_last = inputs[-2]["time"], inputs[-1]["time"]-    T = (t_target - t_last) / max(t_last - t_prev, 1e-6)-    n_units = max(1, int(round(T)))-    n_units = int(os.environ.get("NUNITS", "1"))-    alpha = float(os.environ.get("ALPHA", "0.3")) -    # ---- subsample for training ----+# ----------------------------------------------------------------- two inputs+def two_input_path(prev, last, n_out, seed, rng, mech_off,+                   alpha, K, gamma, T_raw):     n_tr = 2500+     def sub(a, n):         if a.n_obs <= n:             return np.arange(a.n_obs)         idx = rng.choice(a.n_obs, size=n, replace=False)         idx.sort()         return idx+     i0, i1 = sub(prev, n_tr), sub(last, n_tr)     X0 = prev.X[i0].astype(np.float32).toarray()     X1 = last.X[i1].astype(np.float32).toarray() -    # ---- HVG selection on pooled training cells ----     Xp = np.concatenate([X0, X1], axis=0)     var = Xp.var(axis=0)     n_hvg = 2500@@ -105,22 +155,18 @@ def main():     X0h, X1h = Xp[: len(X0)][:, hvg], Xp[len(X0):][:, hvg]     del Xp -    # ---- PCA ----     from sklearn.decomposition import PCA     pca = PCA(n_components=25, random_state=seed)     pca.fit(np.concatenate([X0h, X1h], axis=0))-    comp = pca.components_.astype(np.float32)   # (25, n_hvg)+    comp = pca.components_.astype(np.float32)     mean = pca.mean_.astype(np.float32)      def encode(X):         return (X - mean) @ comp.T-    def decode(Z):-        return Z @ comp + mean      z0 = torch.from_numpy(encode(X0h))     z1 = torch.from_numpy(encode(X1h)) -    # ---- kNN manifold radius from training latents ----     Z = torch.cat([z0, z1], dim=0)     k = 8     with torch.no_grad():@@ -128,11 +174,11 @@ def main():         D.fill_diagonal_(float("inf"))         knn_d = D.topk(k, dim=1, largest=False).values[:, -1]         r = 1.5 * knn_d.median()-    lam_m = 0.0 if manifold_off else 0.1+    lam_m = 0.0 if mech_off else 0.1     lam_v = 0.05 -    # ---- ODE net -----    net = nn.Sequential(nn.Linear(26, 48), nn.Tanh(), nn.Linear(48, 48), nn.Tanh(), nn.Linear(48, 25))+    net = nn.Sequential(nn.Linear(26, 48), nn.Tanh(),+                        nn.Linear(48, 48), nn.Tanh(), nn.Linear(48, 25))     loss_fn = SamplesLoss("sinkhorn", blur=0.05)      def f(z, t):@@ -164,7 +210,7 @@ def main():         loss = l_sink + lam_v * vel         if lam_m > 0:             pen = 0.0-            for j in (1, 2, 3):  # intermediate steps 2,3,4 (0-indexed 1..3)+            for j in (1, 2, 3):                 zj = steps[j][0]                 dk = torch.cdist(zj, Z).topk(k, dim=1, largest=False).values[:, -1]                 pen = pen + torch.relu(dk - r).pow(2).mean()@@ -178,31 +224,124 @@ def main():         if epoch - best_epoch >= 50 or time.time() - t_start > 120:             break -    # ---- extrapolate selected last-stage cells -----    sel = rng.choice(last.n_obs, size=n_out, replace=(last.n_obs < n_out))-    if last.n_obs >= n_out:-        sel.sort()-    Xsel = last.X[sel].astype(np.float32)-    Xh = Xsel.toarray()[:, hvg]-    z_last = torch.from_numpy(encode(Xh))+    # ---- velocity at t=1 for all last-stage cells ----+    Xall = last.X.astype(np.float32)+    Xall_h = Xall.toarray()[:, hvg]+    z_all = torch.from_numpy(encode(Xall_h))     with torch.no_grad():-        z = z_last-        for _ in range(n_units):-            z = integrate(z)-        z_pred = z_last + alpha * (z - z_last)-        Xh_pred = decode(z_pred.numpy())-        resid = Xh - decode(encode(Xh))-        Xh_out = np.clip(Xh_pred + resid, 0.0, None)--    # ---- assemble full-panel output: non-HVG genes copied from input cells -----    coo = Xsel.tocoo()+        v_all = f(z_all, torch.tensor(1.0)).numpy()+    del Xall_h++    vnorm = np.linalg.norm(v_all, axis=1)++    # ---- between-type composition: frequency-trend extrapolation ----+    lab0 = prev.obs["celltype"].astype(str).to_numpy()+    lab1 = last.obs["celltype"].astype(str).to_numpy()+    T = min(T_raw, 2.0) * float(os.environ.get("TSCALE", "1"))+    types = np.unique(lab1).tolist()+    c0 = {t: float((lab0 == t).sum()) for t in np.unique(lab0).tolist()}+    wtype = []+    s = 5.0+    for t in types:+        c1t = float((lab1 == t).sum())+        ratio = (c1t + s) / (c0.get(t, 0.0) + s)+        wtype.append(c1t * float(np.clip(ratio, 0.2, 5.0)) ** T)+    wtype = np.asarray(wtype, dtype=np.float64)+    from src.task1_temporal.reweight import largest_remainder+    alloc = largest_remainder(wtype, n_out)++    # ---- within-type selection by velocity norm (mechanism), uniform if off ----+    sel_parts = []+    for t, n in zip(types, alloc):+        if n <= 0:+            continue+        pool = np.flatnonzero(lab1 == t)+        n = int(n)+        if mech_off:+            ch = rng.choice(pool, size=n, replace=pool.size < n)+        else:+            med = max(np.median(vnorm[pool]), 1e-8)+            ratio = np.clip(vnorm[pool] / med, 0.2, 3.0)+            w = np.maximum(1.0 + gamma * (ratio - 1.0), 1e-3)+            ch = pool[weighted_sample(len(pool), n, w, rng)]+        sel_parts.append(ch)+    sel = np.sort(np.concatenate(sel_parts))+    Xsel = Xall[sel]+    Xh = Xsel.toarray()[:, hvg]++    if alpha > 0:+        v_sel = v_all[sel]+        vm = v_sel.mean(axis=0)+        Vc = v_sel - vm+        # top-K right singular directions of the velocity cloud+        _, _, Vt = np.linalg.svd(Vc, full_matrices=False)+        Vk = Vt[:K]+        v_proj = vm + (Vc @ Vk.T) @ Vk+        delta = (v_proj @ comp).astype(np.float32)  # (n_out, n_hvg)+        gstd = Xh.std(axis=0)+        shift = alpha * delta+        mask = np.abs(shift) > (0.01 * gstd)[None, :]+        Xh = np.clip(Xh + shift * mask, 0.0, None)+        stats = dict(+            frac_cells_modified=float((np.abs(shift * mask).max(axis=1) > 0).mean()),+            frac_genes_modified=float((np.abs(shift).max(axis=0) > 0.01 * gstd).mean()),+            shift_std=float(shift[mask].std()) if mask.any() else 0.0,+            w_min=float(w.min()), w_max=float(w.max()),+        )+        print(json.dumps(stats), flush=True)+     hvg_set = np.zeros(last.n_vars, dtype=bool)     hvg_set[hvg] = True+    coo = Xsel.tocoo()     keep = ~hvg_set[coo.col]     base = sp.coo_matrix((coo.data[keep], (coo.row[keep], coo.col[keep])), shape=coo.shape)-    nz = Xh_out.nonzero()-    blk = sp.coo_matrix((Xh_out[nz], (nz[0], hvg[nz[1]])), shape=coo.shape)-    write_out(args.out, (base + blk).tocsr(), genes)+    nz = Xh.nonzero()+    blk = sp.coo_matrix((Xh[nz].astype(np.float32), (nz[0], hvg[nz[1]])), shape=coo.shape)+    return (base + blk).tocsr()+++def main():+    p = argparse.ArgumentParser()+    p.add_argument("--data", required=True)+    p.add_argument("--out", required=True)+    p.add_argument("--seed", type=int, required=True)+    args = p.parse_args()++    seed = args.seed+    rng = np.random.default_rng(seed)+    torch.manual_seed(seed)++    mech_off = os.environ.get("MECH_OFF", "0") == "1"+    ode_off = os.environ.get("ODE_OFF", "0") == "1"++    view = args.data+    genes = load_genes(view)+    with open(os.path.join(view, "manifest.json")) as f:+        man = json.load(f)+    inputs = sorted(man["inputs"], key=lambda e: e["time"])+    min_c, max_c = man["min_cells"], man["max_cells"]+    t_target = man["target"]["time"]++    last = read_input(view, inputs[-1])+    n_out = int(np.clip(last.n_obs, min_c, max_c))++    alpha = float(os.environ.get("ALPHA", "0.0"))+    K = int(os.environ.get("K", "5"))+    gamma = float(os.environ.get("GAMMA", "0.5"))+    lam = float(os.environ.get("LAM", "0.15"))++    if ode_off:+        X = uniform_copy(last, n_out, rng)+    elif len(inputs) < 2:+        X = single_input_path(last, n_out, genes, rng, mech_off, lam)+    else:+        prev = read_input(view, inputs[-2])+        t_prev, t_last = inputs[-2]["time"], inputs[-1]["time"]+        T_raw = (t_target - t_last) / max(t_last - t_prev, 1e-6)+        X = two_input_path(prev, last, n_out, seed, rng, mech_off, alpha, K,+                           gamma, T_raw)++    write_out(args.out, X, genes)   if __name__ == "__main__":

调研来源?调研员查到并用到的知识条目和文献检索结果(只列标题和编号)。

用到的知识库条目

编号标题出处
k031Offline OT toolkit in the sandbox: moscot TemporalProblem, wot OTModel, POT, geomloss10.1038/s41586-024-08453-2 (moscot); 10.1016/j.cell.2019.01.006 (Waddington-OT)
k041Within-stage pseudotime and graph toolkit offline: scanpy DPT/PAGA/Leiden, Palantir, CellRank 210.1186/s13059-019-1663-x (PAGA); 10.1038/s41587-019-0068-4 (Palantir); 10.1038/s41592-024-02303-9 (CellRank 2)
k034Flow matching and Schrödinger bridges offline: torchcfm (OT-CFM, SF2M), metric FM, DSBarXiv:2302.00482 (OT-CFM, Tong et al.); arXiv:2307.03672 ([SF]2M); arXiv:2405.14780 (metric flow matching); arXiv:2106.01357 (DSB)

分析结果?分析员写的 ANALYSIS.json:改了什么、各组分数怎么变、假设是否成立、经验和下一步建议。

改了什么两输入路径:删掉节点 11 的 PCA 解码位移,ODE 速度范数只用于型内无放回加权选择(γ=0.5,α 默认 0),并新增两阶段类型频率趋势外推 w_t=c1_t·clip((c1_t+5)/(c0_t+5),0.2,5)^T(T 截断 2)做型间组成重加权;单输入路径:把裸 copy_last 换成 src.task1_temporal.reweight 解剖先验重加权 + 型内增殖秩程序 λ=0.15。PLAN 主张的 rank-5 速度投影位移已实现但被查分否决(α=0.2 → X3 45.82,de_score −0.243),默认关闭。
各组分数的变化board:53.61 vs 47.86(+5.76,远超 T1≈2 分噪声);proxy10 +7.47、X3 +4.90;耗时 120.7→54.8s,内存峰值 1.97→5.73GB
cell_state:变好(最大来源):proxy10 mmd_u 0.0405→0.02857,得分 15.53→20.20(+4.67);X3 mmd_u 0.03497→0.0316,15.43 vs 14.35(+1.08);组 +7.59
covariation:两尺子反向:X3 variogram 0.002305→0.00171(+1.64,去掉 PCA 解码的直接结果);proxy10 variogram 0.001233→0.001224(+0.07,噪声内、基本不动);组 +5.60
de_recovery:变好:proxy10 de_score 0.0164→0.1412(+1.12);X3 de_score −0.2208→−0.013(+1.54),但 X3 该项 skill 0.496 仍略低于地板、原始值仍为负,只是接近零而非转正(Engineer 说 'de_score 首次转正 +0.10' 是 A 半查分,正式尺子上是 −0.013);组 +5.59
direction:变好但幅度小:proxy10 de_direction 0.1785→0.2797(+1.60);X3 −0.0049→0.0595(+0.65,在 T1≈2 分噪声量级的下沿);组 +3.85
family_idmanifold_ode
假设是否成立否
经验
  1. 在 X3 这类外推检验上,把学到的 ODE 速度当表达位移用会系统性押反方向:全 PCA 解码(节点 11,de_score −0.221、variogram 0.00231)与 rank-5 速度投影位移(α=0.2 → X3 45.82、de_score −0.243、variogram 0.00203)都低于 copy_last;把同一速度只当型内细胞排序权重(α=0)后 X3 从 45.41 升到 52.37,de_score 回到 ≈0。
  2. 组成杠杆必须跟着观察到的类型频率趋势走,而不是跟着速度大小走:纯速度范数全局重加权 X3=46.88(de_score −0.286),换成两阶段类型频率趋势外推 X3=52.37。
  3. 去掉潜空间解码本身就能救 covariation:X3 variogram 0.002305→0.00171(+1.64 分),因为输出重新变成真实细胞的子集,共变结构不被线性重建破坏。
  4. 新家族在某视图无法运作时,继承已验证的旧策略远好于裸回退:proxy10 从 copy_last(52.75)换成节点 3/7 的解剖先验重加权 + λ=0.15 型内程序后 60.21,其中 mmd_u 一项贡献 +4.67,即收益主要在组成而非表达位移。
  5. Engineer 关于 'λ 程序使输出变稠密、拖累 variogram' 的说法与分解数字冲突:proxy10 variogram 0.001233→0.001224(几乎不变),λ=0→0.15 只有 59.04→59.76(+0.72,噪声内);λ 程序不是本节点收益来源,也不是 variogram 的损伤源。
  6. 为算全场速度而把末阶段整体 toarray() 使内存峰值 1.97→5.73GB(约 2.9 倍),细胞数更大或全基因面板时有 OOM 风险;速度只需在被抽样/被选中的细胞上计算,或分块编码。
  7. MECH_OFF 对照只给出 X3 +1.05(<2 分噪声),且同时关掉了型内速度加权与流形惩罚两项,无法把收益归因到所声称的机制;本节点的实际收益来自两个路径的组成重加权。
mechanism_activeunclear
下一步建议
  1. X3/final(de_recovery、direction、cell_state):固定 α=0,扫型间趋势参数 T 截断 {1.5, 2, 3} × 平滑 s {2, 5, 10},并把型内选择从 clip(||v||/型内中位数,0.2,3) 换成型内秩(γ∈{0.25,0.5,0.8}),目标是 X3 mmd_u 从 0.0316 继续下压、de_score 从 −0.013 转正。
  2. proxy10(cell_state 为主):扫解剖先验强度(心脏类型 ×{1.3,1.6,2.0}、边缘外胚层 ×{0.15,0.25,0.4})并把 X3 的类型频率趋势逻辑推广到有多阶段输入的视图;λ 保持 0.15 即可(收益在噪声内),若再动 λ 就只作用于非零元素以保稀疏。
  3. 机制归因:把 MECH_OFF 拆成两个独立开关(仅关型内速度加权、仅关 λ_m 流形惩罚),各跑 ≥2 seed 比较 X3;若型内速度选择相对型内均匀抽样仍 <2 分,就删掉 ODE 训练(省 55s 与 5.7GB),只保留组成重加权,家族改为纯 reweighting。
  4. 补测 final 视图(E8.5+E9.5→E10.5,T=1)与 proxy2:趋势外推在 T=1 时更温和,X3 的结论未必迁移;本节点未在 final 上验证过。

对话摘要?每个角色和大模型对话的统计:轮数、工具调用、用时、token 数和最后的回答摘录;原始记录只给路径。

只给统计和最后回答的摘录;完整对话请到原始记录位置里列出的文件看。

分析员

角色?调研员写计划、工程师改代码、分析员解读分数、审查员检查作弊。分析员 alibaba-token-plan-cn/qwen3.8-max
调用次数1 次
轮数?大模型一共回复了几轮(每轮可以调用多个工具)。6
工具调用?大模型调用读文件、执行命令等工具的次数,按工具名统计。共 8 次:bash 7、write 1
用时1 分
token 数?输入 / 输出(含思考)的 token 数,来自接口返回的用量。输入 22,847 · 输出 2,359 · 思考 3,822
任务(第一行)分析节点 n13 的打分结果,写 ANALYSIS.json
最后的回答(摘录)
ANALYSIS.json written
原始记录位置?完整对话记录在 Spark 上的文件路径;看板不复制原始内容。/home/spark-longxinyang/vec/runs/formal/20261003-093415-search-t1-r2-D-s1/nodes/13/analyst.jsonl 24 KB
/home/spark-longxinyang/vec/runs/formal/20261003-093415-search-t1-r2-D-s1/nodes/13/analyst.stderr

工程师

角色工程师 alibaba-token-plan-cn/qwen3.8-max
调用次数1 次
轮数25
工具调用共 35 次:bash 28、edit 4、write 2、read 1
用时23 分
token 数输入 60,889 · 输出 12,111 · 思考 12,064
任务(第一行)按计划修改程序:manifold_ode: velocity-guided sparse shift replacing PCA decode + proxy10 expression program
最后的回答(摘录)
完成。节点 13 提交内容:

**做了什么**:修复父节点(manifold_ode, 47.86)两个结构问题——(1) X3/两输入路径:放弃 PCA 解码位移与全局速度重加权(查分证明两者都押反方向),改为两阶段类型频率趋势外推重加权 + ODE 速度范数只做**型内**无放回加权选择(γ=0.5,α=0);(2) proxy10 单输入路径:从裸 copy_last 改为心脏解剖组成先验重加权 + 型内增殖程序 λ=0.15(继承节点 3/7 已验证策略)。

**查分结果**(A 半,seed 0,用 8/20 次):X3 = 52.37(父 45.41,copy_last 47.92,de_score 首次转正 +0.10);proxy10 = 59.76(父 52.75)。估算节点分 ≈ 54.8。MECH_OFF 对照 X3 = 51.32,机制净贡献 +1.05。两视图 vec-check 通过,seed 确定。

**下一步最值得试**:proxy10 的 λ 程序产生稠密输出、拖累 variogram(限制在 HVG/稀疏保留可望回到 63+);X3 趋势外推的 T 截断与平滑系数细扫;型内速度选择改用型内秩。
原始记录位置/home/spark-longxinyang/vec/runs/formal/20261003-093415-search-t1-r2-D-s1/nodes/13/engineer.jsonl 154 KB
/home/spark-longxinyang/vec/runs/formal/20261003-093415-search-t1-r2-D-s1/nodes/13/engineer.stderr

调研员

角色调研员 alibaba-token-plan-cn/qwen3.8-max
调用次数1 次
轮数1
工具调用共 0 次:—
用时1 分
token 数输入 19,415 · 输出 1,575 · 思考 2,279
任务(第一行)为节点 n13(改进,父节点 n11)写改进计划 PLAN.json
最后的回答(摘录)
f high-velocity cells are a rare population → check mmd_u component; if worse, set γ=0. 3) proxy10 λ-program might not help if proliferation markers are uninformative → compare against node 3's proxy10 score (63.66) as target. 4) Training time: ODE training ≤120s + DPT ≤30s should fit in 30-min budget.",
  "family_id": "manifold_ode",
  "mechanism": "ODE velocity field on kNN-constrained manifold determines per-cell progression direction; only top-5 PCA-projected component of velocity is back-projected as a sparse gene-space shift (rank-5, HVG-only), while velocity norm reweights cell sampling. Single-stage fallback uses diffusion pseudotime as the velocity proxy.",
  "vs_constant_shift": "The shift is per-cell (depends on each cell's position on the manifold and its local ODE velocity), not per-type or global. The rank-5 projection means different cells get different direction/magnitude shifts based on their learned dynamics. The sampling reweighting changes composition continuously by velocity norm, not by discrete type labels.",
  "mechanism_evidence": "1) Compare variogram: rank-5 shift should preserve it (target: X3 variogram ≤ 0.0016 vs node 11's 0.0023). 2) Report per-cell shift norms: std(α·δ) should be >0 and heterogeneous (not constant). 3) Report fraction of genes/cells actually modified (>10% cells, >5% genes with |δ|>threshold). 4) de_score should turn positive on X3 (target >0 vs node 11's -0.22). 5) proxy10 de_score should exceed 0.1 (vs node 11's 0.016).",
  "mechanism_off_control": "Set MECH_OFF=1: (a) for two-input path, skip ODE training entirely, use uniform sampling (no velocity reweighting) and no shift (α=0) → output = uniform copy of last stage; (b) for single-input path, skip DPT and λ-program → output = uniform copy. If MECH_OFF output differs from mechanism-ON output by <1e-6 in element-wise L2, mechanism is not running. Expected difference: mechanism-ON should shift ≥10% of cells' expression and alter sampling weights.",
  "sources": []
}
原始记录位置/home/spark-longxinyang/vec/runs/formal/20261003-093415-search-t1-r2-D-s1/nodes/13/researcher.jsonl 6 KB
/home/spark-longxinyang/vec/runs/formal/20261003-093415-search-t1-r2-D-s1/nodes/13/researcher.stderr