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Generalizing Theorem 1 to $d$ Dimensions

Inconsistency and bias of the least-squares estimator for shuffled linear regression

This note generalizes Theorem 1 of Linear Regression with Shuffled Labels (Abid, Poon, Zou, 2017) from the one-dimensional case ($d=1$) to arbitrary dimension $d \ge 1$ and to an arbitrary Gaussian covariance $\Sigma_X$ (the paper assumed independent feature columns, i.e. diagonal $\Sigma_X$). The simulations in experiments.py confirm every quantitative prediction made below.


1. Setup

We observe features $x \in \mathbb{R}^{n \times d}$ and shuffled labels $y \in \mathbb{R}^n$ generated by

yβ€…β€Š=β€…β€ŠΟ€0 x w0β€…β€Š+β€…β€Še, y \;=\; \pi_0\, x\, w_0 \;+\; e ,

where:

  • the rows $x_1,\dots,x_n \in \mathbb{R}^d$ are i.i.d. $\mathcal{N}(\mu_X, \Sigma_X)$, with mean vector $\mu_X \in \mathbb{R}^d$ and covariance $\Sigma_X \succ 0$;
  • $w_0 \in \mathbb{R}^d$ is the unknown true weight vector;
  • $\pi_0$ is an unknown $n \times n$ permutation matrix, drawn uniformly at random;
  • $e \in \mathbb{R}^n$ has i.i.d. entries $\mathcal{N}(0,\sigma_E^2)$, independent of $x$ and $\pi_0$.

The shuffled least-squares (LS) estimator is

w^LSβ€…β€Š=β€…β€Šarg⁑min⁑w∈Rdβ€…β€Šminβ‘Ο€β€…β€Šβˆ₯π x wβˆ’yβˆ₯22,(LS) \hat w_{\mathrm{LS}} \;=\; \arg\min_{w \in \mathbb{R}^d}\; \min_{\pi}\; \lVert \pi\, x\, w - y \rVert_2^2 , \tag{LS}

where the inner minimum is over all $n\times n$ permutation matrices.

Throughout, for a vector $v\in\mathbb{R}^n$ we write $v^{\uparrow}$ for its entries sorted in ascending order, and $v_{(i)}$ for the $i$-th smallest entry (order statistics). We write $\xrightarrow{\text{a.s.}}$ for almost-sure convergence as $n\to\infty$.

Two scalar functionals of $w$

Define the projection mean and standard deviation induced by a weight vector $w$,

ΞΌS(w)β€…β€Š:=β€…β€Šw⊀μX,ΟƒS(w)β€…β€Š:=β€…β€Šw⊀ΣX w, \mu_S(w) \;:=\; w^\top \mu_X, \qquad \sigma_S(w) \;:=\; \sqrt{w^\top \Sigma_X\, w},

and the label mean and standard deviation

ΞΌYβ€…β€Š:=β€…β€Šw0⊀μX,ΟƒYβ€…β€Š:=β€…β€Šβ€‰w0⊀ΣX w0+ΟƒE2 . \mu_Y \;:=\; w_0^\top \mu_X, \qquad \sigma_Y \;:=\; \sqrt{\,w_0^\top \Sigma_X\, w_0 + \sigma_E^2\,}.

These arise because $S := w^\top X \sim \mathcal{N}(\mu_S(w), \sigma_S(w)^2)$ is the (scalar) projection of a feature vector onto $w$, and each label is marginally $Y \sim \mathcal{N}(\mu_Y, \sigma_Y^2)$.


2. Main result

Theorem 1$'$ (generalized). Under the setup of Β§1, let $L_n(w) := \tfrac1n \min_\pi \lVert \pi x w - y\rVert_2^2$. Then $L_n$ converges almost surely and uniformly on compact sets to the population loss $$ \boxed{;\ell(w) ;=; \bigl(\mu_S(w) - \mu_Y\bigr)^2 ;+; \bigl(\sigma_S(w) - \sigma_Y\bigr)^2;} \tag{1} $$ Consequently the LS estimator $\hat w_{\mathrm{LS}}$ converges (in the set sense of Β§6) to the moment-matching set $$ \mathcal{W}^\star ;=; \Bigl{, w \in \mathbb{R}^d ;:; w^\top \mu_X = w_0^\top\mu_X ;\text{ and }; w^\top\Sigma_X w = w_0^\top\Sigma_X w_0 + \sigma_E^2 ,\Bigr}. \tag{2} $$ In particular:

  1. (Inconsistency.) Whenever $\sigma_E \neq 0$, the true weight $w_0 \notin \mathcal{W}^\star$, so $\hat w_{\mathrm{LS}} \not\to w_0$.
  2. (Norm amplification.) Every limit point $w^\star \in \mathcal{W}^\star$ satisfies $$ \lVert w^\star \rVert_{\Sigma_X}^2 ;=; \lVert w_0 \rVert_{\Sigma_X}^2 + \sigma_E^2 ;>; \lVert w_0\rVert_{\Sigma_X}^2 , \qquad \lVert v\rVert_{\Sigma_X}^2 := v^\top\Sigma_X v, $$ i.e. the $\Sigma_X$-norm of the estimate is strictly inflated by exactly the noise variance.
  3. ($d=1$ reduction.) When $d=1$ the set $\mathcal{W}^\star$ collapses to a single point and recovers Eq. (4) of the paper exactly: $$ \hat w_{\mathrm{LS}} \xrightarrow{\text{a.s.}} w_0,\frac{\mu_X^2 + \sigma_X\sqrt{\sigma_X^2 + \sigma_E^2/w_0^2}}{\mu_X^2 + \sigma_X^2}. $$

The geometry is transparent: $\mathcal{W}^\star$ is the intersection of an affine hyperplane ($w^\top\mu_X = \mu_Y$) with an ellipsoid ($w^\top\Sigma_X w = \sigma_Y^2$). Since $w_0$ lies on the hyperplane but strictly inside the ellipsoid (its $\Sigma_X$-norm is short by $\sigma_E^2$), the hyperplane meets the ellipsoid in a $(d-2)$-dimensional set for $d\ge 2$ β€” so the minimizer is not unique in higher dimensions, and "the bias" is properly described by the two scalar invariants in (2) rather than a single limiting vector.


3. Lemma 1 β€” reduction to sorting (any $d$)

Lemma 1. For every fixed $w$, $\displaystyle \min_\pi \lVert \pi x w - y\rVert_2^2 = \lVert (xw)^{\uparrow} - y^{\uparrow}\rVert_2^2.$ Hence $$ L_n(w) = \tfrac1n \lVert (xw)^{\uparrow} - y^{\uparrow}\rVert_2^2. $$

Proof. Fix $w$ and write $s := xw \in \mathbb{R}^n$, a scalar vector. We must show that among all pairings of the entries of $s$ with the entries of $y$, the squared error $\sum_i (s_{\sigma(i)} - y_i)^2$ is minimized by the pairing that sorts both in the same order. Expanding, $\sum_i (s_{\sigma(i)} - y_i)^2 = \sum_i s_i^2 + \sum_i y_i^2 - 2\sum_i s_{\sigma(i)} y_i$; the first two sums are permutation-invariant, so minimizing the squared error is equivalent to maximizing $\sum_i s_{\sigma(i)} y_i$. By the rearrangement inequality, this inner product is maximized exactly when $s$ and $y$ are sorted in the same order, i.e. $\sum_i s_{(i)} y_{(i)}$.

A direct exchange argument (as in the paper) also proves it: if a minimizing pairing had indices $i<j$ with $y_i^\uparrow$ increasing but the matched $s$-values out of order, $s'_i > s'_j$, then swapping them changes the cost by [(yiβ†‘βˆ’sjβ€²)2+(yjβ†‘βˆ’siβ€²)2]βˆ’[(yiβ†‘βˆ’siβ€²)2+(yjβ†‘βˆ’sjβ€²)2]=βˆ’2 (yjβ†‘βˆ’yi↑) (siβ€²βˆ’sjβ€²)≀0, \bigl[(y_i^\uparrow - s'_j)^2 + (y_j^\uparrow - s'_i)^2\bigr] - \bigl[(y_i^\uparrow - s'_i)^2 + (y_j^\uparrow - s'_j)^2\bigr] = -2\,(y_j^\uparrow - y_i^\uparrow)\,(s'_i - s'_j) \le 0, a contradiction unless $s$ is already co-sorted with $y$. The argument never uses $d=1$: it only uses that $s=xw$ is a scalar vector, which holds in every dimension. $\qquad\blacksquare$

This is the linchpin of the generalization. The cost (LS) only ever "sees" $w$ through the scalar projection $xw$, which is why the limit will depend on $w$ only through the two functionals $\mu_S(w),\sigma_S(w)$.


4. Lemma 2 β€” the comonotone quantile limit (general form)

The paper's Lemma 2 computes $\tfrac1n\sum_i x_{(i)} y_{(i)}$ for two Gaussian samples by a hands-on concentration argument on order statistics (its Proposition 1). We replace it with a clean, fully rigorous statement that handles arbitrary cross-dependence between the two vectors β€” which is exactly what the multivariate case requires, since $s=xw$ and $y$ both depend on $x$.

Lemma 2 (comonotone limit). Let $(U_1,V_1),\dots,(U_n,V_n)$ be i.i.d. pairs with $\mathbb{E}[U_1^2],\mathbb{E}[V_1^2] < \infty$; the marginals may be arbitrarily dependent on one another. Let $F_U, F_V$ be the marginal CDFs and $F_U^{-1}, F_V^{-1}$ their quantile functions. Then $$ \frac1n \sum_{i=1}^n u_{(i)}, v_{(i)} ;\xrightarrow{\text{a.s.}}; \int_0^1 F_U^{-1}(t), F_V^{-1}(t), dt . \tag{3} $$

Proof. The sorted sum depends only on the two empirical quantile functions. Indeed, if $\hat F_U^{-1}(t) := u_{(\lceil nt\rceil)}$ denotes the empirical quantile function of $u$ (a left-continuous step function equal to $u_{(i)}$ on $(\tfrac{i-1}{n}, \tfrac in]$), then ∫01F^Uβˆ’1(t) F^Vβˆ’1(t) dt=βˆ‘i=1n∫(iβˆ’1)/ni/nu(i)v(i) dt=1nβˆ‘i=1nu(i)v(i),(4) \int_0^1 \hat F_U^{-1}(t)\,\hat F_V^{-1}(t)\, dt = \sum_{i=1}^n \int_{(i-1)/n}^{i/n} u_{(i)} v_{(i)}\, dt = \frac1n \sum_{i=1}^n u_{(i)} v_{(i)} , \tag{4} an exact identity β€” the left side is the integral of the product of the two sorted profiles. It does not reference the original pairing $(u_i, v_i)$, which is why the dependence between $U$ and $V$ is immaterial after sorting.

It remains to pass to the limit in (4). By the Glivenko–Cantelli theorem applied to each marginal, $\hat F_U^{-1} \to F_U^{-1}$ and $\hat F_V^{-1} \to F_V^{-1}$ almost everywhere on $(0,1)$ (a.s.). Moreover the second moments converge, ∫01(F^Uβˆ’1)2dt=1nβˆ‘iui2β†’a.s.E[U2]=∫01(FUβˆ’1)2dt, \int_0^1 \bigl(\hat F_U^{-1}\bigr)^2 dt = \frac1n\sum_i u_i^2 \xrightarrow{\text{a.s.}} \mathbb{E}[U^2] = \int_0^1 \bigl(F_U^{-1}\bigr)^2 dt , by the strong law of large numbers (and likewise for $V$). A.e. convergence together with convergence of the $L^2(0,1)$ norms gives convergence in $L^2(0,1)$ (Riesz–ScheffΓ© / the $L^p$ form of Vitali's theorem). Cauchy–Schwarz then yields ∣∫F^Uβˆ’1F^Vβˆ’1βˆ’βˆ«FUβˆ’1FVβˆ’1βˆ£β‰€βˆ₯F^Uβˆ’1βˆ₯2 βˆ₯F^Vβˆ’1βˆ’FVβˆ’1βˆ₯2+βˆ₯F^Uβˆ’1βˆ’FUβˆ’1βˆ₯2 βˆ₯FVβˆ’1βˆ₯2β†’0, \Bigl| \int \hat F_U^{-1}\hat F_V^{-1} - \int F_U^{-1} F_V^{-1} \Bigr| \le \lVert \hat F_U^{-1}\rVert_2\,\lVert \hat F_V^{-1} - F_V^{-1}\rVert_2 + \lVert \hat F_U^{-1} - F_U^{-1}\rVert_2\,\lVert F_V^{-1}\rVert_2 \to 0 , which is (3). $\qquad\blacksquare$

(This $\int_0^1 F_U^{-1}F_V^{-1}$ is precisely the expected product under the comonotone / Hoeffding–FrΓ©chet upper coupling β€” the maximal-covariance arrangement that co-sorting produces.)

Gaussian specialization. If $U\sim\mathcal{N}(\mu_U,\sigma_U^2)$ and $V\sim\mathcal{N}(\mu_V,\sigma_V^2)$, then $F_U^{-1}(t)=\mu_U+\sigma_U\Phi^{-1}(t)$ and likewise for $V$, so with $\int_0^1 \Phi^{-1}(t),dt = 0$ and $\int_0^1 \Phi^{-1}(t)^2,dt = \mathbb{E}[Z^2]=1$, ∫01FUβˆ’1FVβˆ’1 dt=ΞΌUΞΌV+ΟƒUΟƒV.(5) \int_0^1 F_U^{-1}F_V^{-1}\,dt = \mu_U\mu_V + \sigma_U\sigma_V . \tag{5} This recovers the paper's $\tfrac1n\sum x_{(i)}y_{(i)} \to \mu_X\mu_Y + \sigma_X\sigma_Y$ as the special case $U=X,\ V=Y$.


5. Proof of the population loss formula (1)

Fix $w$ and set $s := xw$. By Lemma 1, Ln(w)=1nβˆ₯sβ†‘βˆ’y↑βˆ₯22=1nβˆ‘is(i)2⏟(A)βˆ’21nβˆ‘is(i)y(i)⏟(B)+1nβˆ‘iy(i)2⏟(C). L_n(w) = \frac1n\lVert s^\uparrow - y^\uparrow\rVert_2^2 = \underbrace{\frac1n\sum_i s_{(i)}^2}_{(A)} - 2\underbrace{\frac1n\sum_i s_{(i)} y_{(i)}}_{(B)} + \underbrace{\frac1n\sum_i y_{(i)}^2}_{(C)} .

Each term has an almost-sure limit:

  • (A) Sorting leaves the sum of squares unchanged: $\tfrac1n\sum_i s_{(i)}^2 = \tfrac1n\sum_i s_i^2 = w^\top\bigl(\tfrac1n x^\top x\bigr)w \xrightarrow{\text{a.s.}} w^\top \mathbb{E}[XX^\top] w = \mu_S(w)^2 + \sigma_S(w)^2.$
  • (C) Likewise $\tfrac1n\sum_i y_{(i)}^2 = \tfrac1n\sum_i y_i^2 \xrightarrow{\text{a.s.}} \mathbb{E}[Y^2] = \mu_Y^2 + \sigma_Y^2.$
  • (B) The entries $s_i=w^\top x_i$ are i.i.d. $\mathcal{N}(\mu_S(w),\sigma_S(w)^2)$ (rows of $x$ i.i.d.), and the entries $y_i = w_0^\top x_{\pi_0(i)} + e_i$ are i.i.d. $\mathcal{N}(\mu_Y,\sigma_Y^2)$ (a permutation of i.i.d. rows plus i.i.d. noise). They are mutually dependent through $x$, but Lemma 2 tolerates that. By (3) and the Gaussian formula (5), $\tfrac1n\sum_i s_{(i)} y_{(i)} \xrightarrow{\text{a.s.}} \mu_S(w)\mu_Y + \sigma_S(w)\sigma_Y.$

Combining, Ln(w)β†’a.s.[ΞΌS2+ΟƒS2]βˆ’2[ΞΌSΞΌY+ΟƒSΟƒY]+[ΞΌY2+ΟƒY2]=(ΞΌSβˆ’ΞΌY)2+(ΟƒSβˆ’ΟƒY)2=β„“(w), L_n(w) \xrightarrow{\text{a.s.}} \bigl[\mu_S^2 + \sigma_S^2\bigr] - 2\bigl[\mu_S\mu_Y + \sigma_S\sigma_Y\bigr] + \bigl[\mu_Y^2 + \sigma_Y^2\bigr] = (\mu_S - \mu_Y)^2 + (\sigma_S - \sigma_Y)^2 = \ell(w), which is (1). $\qquad\blacksquare$

Because $\ell$ depends on $w$ only through $\mu_S(w)=w^\top\mu_X$ and $\sigma_S(w)=\sqrt{w^\top\Sigma_X w}$, its minimum value is $0$ iff both targets are simultaneously attainable, and the minimizing set is exactly $\mathcal{W}^\star$ in (2).


6. From loss convergence to estimator convergence

Pointwise a.s. convergence $L_n \to \ell$ is upgraded to uniform convergence on compacts, which is what licenses $\arg\min L_n \to \arg\min \ell$.

Equi-Lipschitz bound. Terms (A) and (C) are, respectively, a quadratic form with matrix $\tfrac1n x^\top x \to \mathbb{E}[XX^\top]$ and a constant, so both converge uniformly on compacts. For the cross term $g_n(w):=\tfrac1n\sum_i s_{(i)} y_{(i)}$, use the standard fact that sorting is $1$-Lipschitz in $\ell_2$: $\sum_i\bigl((xw){(i)} - (xw'){(i)}\bigr)^2 \le \sum_i\bigl((xw)_i - (xw')_i\bigr)^2 = \lVert x(w-w')\rVert_2^2$. Hence by Cauchy–Schwarz ∣gn(w)βˆ’gn(wβ€²)βˆ£β€…β€Šβ‰€β€…β€Š1nβˆ‘iy(i)2β€…β€Šβ‹…β€…β€Š1nβˆ₯x(wβˆ’wβ€²)βˆ₯22β€…β€Šβ‰€β€…β€Š1nβˆ‘iyi2β€…β€Šβˆ₯1nx⊀xβˆ₯1/2 βˆ₯wβˆ’wβ€²βˆ₯. |g_n(w) - g_n(w')| \;\le\; \sqrt{\tfrac1n\textstyle\sum_i y_{(i)}^2}\;\cdot\; \sqrt{\tfrac1n\lVert x(w-w')\rVert_2^2} \;\le\; \sqrt{\tfrac1n\textstyle\sum_i y_i^2}\;\bigl\lVert\tfrac1n x^\top x\bigr\rVert^{1/2}\,\lVert w-w'\rVert . Both prefactors converge a.s. to finite constants, so ${g_n}$ is asymptotically equi-Lipschitz on any compact set. Pointwise convergence plus equicontinuity gives uniform convergence on compacts (Arzelà–Ascoli). Therefore $L_n \to \ell$ uniformly on compacts, a.s.

Coercivity and consistency. As $\lVert w\rVert\to\infty$, $\sigma_S(w)=\sqrt{w^\top\Sigma_X w}\to\infty$ (since $\Sigma_X\succ0$), so $\ell(w)\to\infty$; the same holds for $L_n$ for large $n$ via term (A). Hence all minimizers eventually lie in a fixed compact set $K\supset\mathcal{W}^\star$. On $K$, uniform convergence of $L_n$ to the continuous $\ell$ implies (standard M-estimation / epi-convergence argument) that every sequence of minimizers $\hat w_{\mathrm{LS}}$ has all of its limit points in $\arg\min_K \ell = \mathcal{W}^\star$, and $\min_w L_n \to \min_w \ell$. This is the precise sense of "$\hat w_{\mathrm{LS}}\to\mathcal{W}^\star$." $\qquad\blacksquare$

The three conclusions of Theorem 1$'$ now follow:

  1. Inconsistency. $w_0\in\mathcal{W}^\star \iff w_0^\top\Sigma_X w_0 = w_0^\top\Sigma_X w_0+\sigma_E^2 \iff \sigma_E=0$. So for any $\sigma_E\ne0$, $w_0\notin\mathcal W^\star$ and $\hat w_{\mathrm{LS}}\not\to w_0$.
  2. Norm amplification. Directly from the second defining equation of $\mathcal{W}^\star$: $\lVert w^\star\rVert_{\Sigma_X}^2 = \lVert w_0\rVert_{\Sigma_X}^2 + \sigma_E^2$. The inflation is exactly the noise variance β€” note it is independent of $d$ and of $\mu_X$. This explains the paper's empirical observation that "the norm of estimated weights is larger than that of the true weights even for $d>1$."
  3. $d=1$ reduction. See Β§7.

7. The $d=1$ case recovers Eq. (4) exactly

For $d=1$, write $\mu_X,\sigma_X$ for the scalar mean/sd, $\sigma_Y=\sqrt{w_0^2\sigma_X^2+\sigma_E^2}$, and minimize (taking $w>0$, as in Lemma 1) β„“(w)=ΞΌX2(wβˆ’w0)2+(ΟƒXwβˆ’ΟƒY)2. \ell(w) = \mu_X^2(w - w_0)^2 + (\sigma_X w - \sigma_Y)^2 . Setting $\ell'(w)=0$: $;\mu_X^2(w-w_0) + \sigma_X(\sigma_X w - \sigma_Y) = 0$, hence w⋆=ΞΌX2w0+ΟƒXΟƒYΞΌX2+ΟƒX2=ΞΌX2w0+ΟƒXw02ΟƒX2+ΟƒE2ΞΌX2+ΟƒX2=w0 μX2+ΟƒXΟƒX2+ΟƒE2/w02ΞΌX2+ΟƒX2, w^\star = \frac{\mu_X^2 w_0 + \sigma_X\sigma_Y}{\mu_X^2 + \sigma_X^2} = \frac{\mu_X^2 w_0 + \sigma_X\sqrt{w_0^2\sigma_X^2 + \sigma_E^2}}{\mu_X^2 + \sigma_X^2} = w_0\,\frac{\mu_X^2 + \sigma_X\sqrt{\sigma_X^2 + \sigma_E^2/w_0^2}}{\mu_X^2 + \sigma_X^2}, which is identical to Eq. (4) of the paper. (Equivalently: in $d=1$ the hyperplane $w\mu_X=\mu_Y$ is a single point that misses the ellipsoid, so $\ell$ cannot reach $0$ and the minimizer trades off the two terms β€” recovering the paper's amplification factor $>1$.) The amplification factor exceeds $1$ whenever $\sigma_X,\sigma_E\ne0$, matching the paper. $\qquad\blacksquare$


8. What the simulations confirm

experiments.py verifies each prediction empirically (figures saved to figures/):

Prediction Check Figure
$L_n(w)\to\ell(w)$ pointwise (Β§5) empirical sorted loss vs. formula (1) over random $w$, growing $n$ fig1_loss_convergence.png
$d=1$ limit = Eq. (4) (Β§7) $\hat w_{\mathrm{LS}}$ vs. closed form across $\sigma_E$ and $\mu_X$ sweeps fig2_d1_formula.png
Mean-match invariant $w^{\star\top}\mu_X=w_0^\top\mu_X$ (Β§2) empirical $\hat w^\top\mu_X$ vs. target, $d=2,3,5$ fig3_invariants.png
Variance amplification $w^{\star\top}\Sigma_X w^\star = w_0^\top\Sigma_X w_0+\sigma_E^2$ (Β§2) empirical $\hat w^\top\Sigma_X\hat w$ vs. target, $d=2,3,5$ fig3_invariants.png
Norm-inflation $=\sigma_E^2$, $d$-independent (Β§6) $\lVert\hat w\rVert_{\Sigma_X}^2 - \lVert w_0\rVert_{\Sigma_X}^2 \to \sigma_E^2$ fig4_amplification.png

All checks use general (non-diagonal) $\Sigma_X$ to exercise the strengthened result.