总览 · ← 返回运行 20261003-093415-search-t1-r2-D-s1
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)
- 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。
- 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。
- 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):
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;- 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
- 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 |
|---|---|---|
| k031 | Offline OT toolkit in the sandbox: moscot TemporalProblem, wot OTModel, POT, geomloss | 10.1038/s41586-024-08453-2 (moscot); 10.1016/j.cell.2019.01.006 (Waddington-OT) |
| k041 | Within-stage pseudotime and graph toolkit offline: scanpy DPT/PAGA/Leiden, Palantir, CellRank 2 | 10.1186/s13059-019-1663-x (PAGA); 10.1038/s41587-019-0068-4 (Palantir); 10.1038/s41592-024-02303-9 (CellRank 2) |
| k034 | Flow matching and Schrödinger bridges offline: torchcfm (OT-CFM, SF2M), metric FM, DSB | arXiv: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_id | manifold_ode |
| 假设是否成立 | 否 |
| 经验 |
|
| mechanism_active | unclear |
| 下一步建议 |
|
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 |