Learning One-hidden-layer Neural Networks with Landscape Design

Rong Ge, Jason D. Lee, Tengyu Ma

Introduction

Scalable optimization has been playing crucial roles in the success of deep learning, which has immense applications in artificial intelligence. Remarkably, optimization issues are often addressed through designing new models that make the resulting training objective functions easier to be optimized. For example, over-parameterization [LSSS14], batch-normalization [IS15], and residual networks [HZRS16a, HZRS16b] are often considered as ways to improve the optimization landscape of the resulting objective functions.

How do we design models and objective functions that allow efficient optimization with guarantees? Towards understanding this question in a principled way, this paper studies learning neural networks with one hidden layer. Roughly speaking, we will show that when the input is from Gaussian distribution and under certain simplifying assumptions on the weights, we can design an objective function G(⋅)G(\cdot), such that

[a] all local minima of G(⋅)G(\cdot) are global minima

[b] all the global minima are the desired solutions, namely, the ground-truth parameters (up to permutation and some fixed transformation).

We aim to learn a neural network with a one-hidden-layer using a non-convex objective function. We assume input xx comes from Gaussian distribution and the label yy comes from the model

For technical reasons, we will further assume m≤dm\leq d and that a⋆a^{\star} has non-negative entries.

However, empirically stochastic gradient descent cannot converge to the ground-truth parameters in the synthetic setting above when σ(x)=ReLU(x)=max⁡{x,0}\sigma(x)=\textup{ReLU}(x)=\max\{x,0\}, even if we have access to an infinite number of samples, and B⋆B^{\star} is a orthogonal matrix. Such empirical results have been reported in [LSSS14] previously, and we also provide our version in Figure 1 of Section 6. This is consistent with observations and theory that over-parameterization is crucial for training neural networks successfully [LSSS14, HMR16, SC16].

These empirical findings suggest that the population risk f(a,B)f(a,B) has spurious local minima with inferior error compared to that of the global minimum. This phenomenon occurs even if we assume we know a⋆a^{\star} or a⋆=1a^{\star}=\mathbf{1} is merely just the all one’s vector. Empirically, such landscape issues seem to be alleviated by over-parameterization. By contrast, our method described in the next section does not require over-parameterization and might be suitable for applications that demand the recovery of the true parameters.

2 Our contributions

Towards learning with the same number of training parameters as the ground-truth model, we first study the landscape of the population risk f(⋅)f(\cdot) and give an analytic formula for it — as an explicit function of the ground-truth parameter and training parameter with the randomness of the data being marginalized out. The formula in equation (2.3) shows that f(⋅)f(\cdot) is implicitly attempting to solve simultaneously a finite number of low-rank tensor decomposition problems with commonly shared components.

Inspired by the formula, we design a new training model whose associated loss function — named f′f^{\prime} and formally defined in equation (2.6) — corresponds to the loss function for decomposing a matrix (2-nd order tensor) and a 4-th order tensor (Theorem 2.2). Empirically, stochastic gradient descent on f′f^{\prime} learns the network as shown in experiment section (Section 6).

Despite the empirical success of f′f^{\prime}, we still lack a provable guarantee on the landscape of f′f^{\prime}. The second contribution of the paper is to design a more sophisticated objective function G(⋅)G(\cdot) whose landscape is provably nice — all the local minima of G(⋅)G(\cdot) are proven to be global, and they correspond to the permutation of the true parameters. See Theorem 2.3.

Moreover, the value and the gradient of GG can be estimated using samples, and there are no constraints in the optimization. These allow us to use straightforward stochastic gradient descent (see guarantees in [GHJY15, JGN+17]) to optimize G(⋅)G(\cdot) and converge to a local minimum, which is also a global minimum (Corollary 2.4).

Finally, we also prove a finite-sample complexity result. We will show that with a polynomial number of samples, the empirical version of GG share almost the same landscape properties as GG itself (Theorem 2.7). Therefore, we can also use an empirical version of GG as a surrogate in the optimization.

3 Related work

The work of Arora et al. [ABGM14] is one of the early results on provable algorithms for learning deep neural networks, where the authors give an algorithm for learning deep generative models with sparse weights. Livni et al. [LSSS14], Zhang et al. [ZLJ16, ZLWJ17], and Daniely et al. [DFS16] study the learnability of special cases of neural networks using ideas from kernel methods. Janzamin et al. [JSA15] give a polynomial-time algorithm for learning one-hidden-layer neural networks with twice-differential activation function and known input distributions, using the ideas from tensor decompositions.

A series of recent papers study the theoretical properties of non-convex optimization algorithms for one-hidden-layer neural networks. Brutzkus and Globerson [BG17] and Tian [Tia17] analyze the landscape of the population risk for one-hidden-layer neural networks with Gaussian inputs under the assumption that the weights vector associated to each hidden variable (that is, the filters) have disjoint supports. Li and Yuan [LY17] prove that stochastic gradient descent recovers the ground-truth parameters when the parameters are known to be close to the identity matrix. Zhang et al. [ZPS17] studies the optimization landscape of learning one-hidden-layer neural networks with a specific activation function, and they design a specific objective function that can recover a single column of the weight matrix. Zhong et al. [ZSJ+17] studies the convergence of non-convex optimization from a good initializer that is produced by tensor methods. Our algorithm works for a large family of activation functions (including ReLU) and any full-rank weight matrix. To our best knowledge, we give the first global convergence result for gradient-based methods for our general setting.The work of [JSA15, ZSJ+17] are closely related, but they require tensor decomposition as the algorithm/initialization.

The optimization landscape properties have also been investigated on simplified neural networks models. Kawaguchi [Kaw16] shows that the landscape of deep neural nets does not have bad local minima but has degenerate saddle points. Hardt and Ma [HM17] show that re-parametrization using identity connection as in residual networks [HZRS16a] can remove the degenerate saddle points in the optimization landscape of deep linear residual networks. Soudry and Carmon [SC16] showed that an over-parameterized neural network does not have bad differentiable local minimum. Hardt et al. [HMR16] analyze the power of over-parameterization in a linear recurrent network (which is equivalent to a linear dynamical system.)

The optimization landscape has also been analyzed for other machine learning problems, including SVD/PCA phase retrieval/synchronization, orthogonal tensor decomposition, dictionary learning, matrix completion, matrix sensing [BH89, SJ13, GHJY15, SQW15, BBV16, GLM16, BNS16, GJZ17]. Our analysis techniques build upon that for tensor decomposition in [GHJY15] — we add two additional regularization terms to deal with spurious local minimum caused by the weights a⋆a^{\star} and to remove the constraints.

4 Notations:

We use A⊗BA\otimes B to denote the Kronecker product of AA and BB, and A⊗kA^{\otimes k} is a shorthand for A⊗⋯⊗AA\otimes\cdots\otimes A where AA appears kk times. For vectors a⊗ba\otimes b and a⊗ka^{\otimes k} denote the tensor product. We use λmax⁡(⋅),λmin⁡(⋅)\lambda_{\max}(\cdot),\lambda_{\min}(\cdot) to denote the largest and smallest eigenvalues of a square matrix. Similarly, σmax⁡(⋅)\sigma_{\max}(\cdot) and σmin⁡(⋅)\sigma_{\min}(\cdot) are used to denote the largest and smallest singular values. We denote the identity matrix in dimension d×dd\times d by Idd×d\textup{Id}_{d\times d}, or Id when the dimension is clear from the context.

In the analysis, we rely on many properties of Hermite polynomials. We use hjh_{j} to denote the jj-th normalized Hermite polynomial. These polynomials form an orthonormal basis. See Section 4.1 for an introduction of Hermite polynomials.

We will define other notations when we first use them.

Main Results

A straightforward approach of learning the model (1.1) is to parameterize the prediction by

Throughout the paper, we use b1⋆⊤,…,bm⋆⊤{b^{\star}_{1}}^{\top},\dots,{b^{\star}_{m}}^{\top} to denote the row vectors of B⋆B^{\star} and similarly for BB. That is, we have B=[b1⊤⋮bm⊤]B=\begin{bmatrix}b_{1}^{\top}\\ \vdots\\ b_{m}^{\top}\end{bmatrix} and B⋆=[b1⋆⊤⋮bm⋆⊤]B^{\star}=\begin{bmatrix}{b^{\star}_{1}}^{\top}\\ \vdots\\ {b^{\star}_{m}}^{\top}\end{bmatrix}. Let aia_{i} and ai⋆a^{\star}_{i}’s be the coordinates of aa and a⋆a^{\star} respectively.

We give the following analytic formula for the population risk defined above.

Assume vectors bi,bi⋆b_{i},b^{\star}_{i}’s are unit vectors. Then, the population risk ff defined in equation (2.2) satisfies that

where σ^k\hat{\sigma}_{k} is the kk-th Hermite coefficient of the function σ\sigma. See section 4.1 for a short introduction of Hermite polynomial basis. When σ=ReLU\sigma=ReLU, we have that σ^0=12π\hat{\sigma}_{0}=\frac{1}{\sqrt{2\pi}}, σ^1=12\hat{\sigma}_{1}=\frac{1}{2}. For n≥2n\geq 2 and even, σ^n=((n−3)!!)22πn!\hat{\sigma}_{n}=\frac{((n-3)!!)^{2}}{\sqrt{2\pi n!}}. For n≥2n\geq 2 and odd, σ^n=0\hat{\sigma}_{n}=0.

The proof of Theorem 2.1 follows from using techniques in Hermite Fourier analysis, which is deferred to Section 4.2.

It turns out that optimizing the population risk using stochastic gradient descent is empirically difficult. Figure 1 shows that in a synthetic setting where the noise is zero, the test error empirically doesn’t converge to zero for sufficiently long time with various learning rate schemes, even if we are using fresh samples in iteration. This suggests that the landscape of the population risk has some spurious local minimum that is not a global minimum. See Section 6 for more details on the experiment setup.

An empirical fix:

Inspired by the connection to tensor decomposition objective described earlier in the subsection, we can design a new objective function that takes exactly the same form as the tensor decomposition objective function f2+f4f_{2}+f_{4}. Concretely, let’s define

where γ=σ2^h2+σ^4h4\gamma=\hat{\sigma_{2}}h_{2}+\hat{\sigma}_{4}h_{4} and h2(t)=12(t2−1)h_{2}(t)=\frac{1}{\sqrt{2}}(t^{2}-1) and h4(t)=124(t4−6t2+3)h_{4}(t)=\frac{1}{\sqrt{24}}(t^{4}-6t^{2}+3) are the 2nd and 4th normalized probabilists’ Hermite polynomials [Wik17b]. We abuse the notation slightly by using the same notation to denote the its element-wise application on a vector. Now for each example we use ∥y^′−y∥2\lVert\hat{y}^{\prime}-y\rVert^{2} as loss function. The corresponding population risk is

Now by an extension of Theorem 2.1, we have that the new population risk is equal to the σ^22f2+σ^42f4\hat{\sigma}_{2}^{2}f_{2}+\hat{\sigma}_{4}^{2}f_{4}.

Let f′f^{\prime} be defined as in equation (2.6) and f2f_{2} and f4f_{4} be defined in equation (2.4). Assume bi,bi⋆b_{i},b^{\star}_{i}’s are unit vectors. Then, we have

It turns out stochastic gradient descent on the objective f′(a,B)f^{\prime}(a,B) (with projection to the set of matrices BB with row norm 1) converges empirically to the ground truth (a⋆,B⋆)(a^{\star},B^{\star}) or one of its equivalent permutations. (See Figure 2.) However, we don’t know of any existing work for analyzing the landscape of the objective f′f^{\prime} (or fkf_{k} for any k≥3k\geq 3). We conjecture that the landscape of f′f^{\prime} doesn’t have any spurious local minimum under certain mild assumptions on (a⋆,B⋆)(a^{\star},B^{\star}). Despite recent attempts on other loss functions for tensor decomposition [GM17], we believe that analyzing f′f^{\prime} is technically challenging and its resolution will be potentially enlightening for the understanding landscape of loss function with permutation invariance. See Section 6 for more experimental results.

The population risk defined in equation (2.6) — though works empirically for randomly generated ground-truth (a⋆,B⋆)(a^{\star},B^{\star}) — doesn’t have any theoretical guarantees. It’s also possible that when (a⋆,B⋆)(a^{\star},B^{\star}) are chosen adversarially or from a different distribution, SGD no longer converges to the ground-truth.

To solve this problem, we design another objective function G(⋅)G(\cdot), such that the optimizer of G(⋅)G(\cdot) still corresponds to the ground-truth, and G()G() has provably nice landscape — all local minima of G()G() are global minima.

In this subsection, for simplicity, we work with the case when B⋆B^{\star} is an orthogonal matrix and state our main result. The discussion of the general case is deferred to the end of this Section and Section A.

We define our objective function G(B)G(B) as

where φ(⋅,⋅)\varphi(\cdot,\cdot) is defined as

and ϕ(⋅,⋅,⋅)\phi(\cdot,\cdot,\cdot) is defined as

The rationale behind of the choices of ϕ\phi and φ\varphi will only be clearer and relevant in later sections. For now, the only relevant property of them is that both are smooth functions whose derivatives are easily computable.

We remark that we can sample G(⋅)G(\cdot) using the samples straightforwardly — it’s defined as an average of functions of examples and the parameters. We also note that only parameter BB appears in the loss function. We will infer the value of a⋆a^{\star} using straightforward linear regression after we get the (approximately) accurate value of B⋆B^{\star}.

Due to technical reasons, our method only works for the case when ai⋆>0a^{\star}_{i}>0 for every ii. We will assume this throughout the rest of the paper. The general case is left for future work. Let amax⁡⋆=max⁡ai⋆a^{\star}_{\max}=\max a^{\star}_{i}, amin⁡⋆=min⁡ai⋆a^{\star}_{\min}=\min a^{\star}_{i}, and κ⋆=max⁡ai⋆/min⁡ai⋆\kappa^{\star}=\max a^{\star}_{i}/\min a^{\star}_{i}. Our result will depend on the value of κ⋆.\kappa^{\star}. Essentially we treat κ⋆\kappa^{\star} as an absolute constant that doesn’t scale in dimension. The following theorem characterizes the properties of the landscape of G(⋅)G(\cdot).

Let cc be a sufficiently small universal constant (e.g. c=0.01c=0.01 suffices) and suppose the activation function σ\sigma satisfies σ^4≠0\hat{\sigma}_{4}\neq 0. Assume μ≤c/κ⋆\mu\leq c/\kappa^{\star}, λ≥c−1amax⁡⋆\lambda\geq c^{-1}a^{\star}_{\max}, and B⋆B^{\star} is an orthogonal matrix. The function G(⋅)G(\cdot) defined as in equation (2.8) satisfies that

A matrix BB is a local minimum of GG if and only if BB can be written as B=DPB⋆B=DPB^{\star} where PP is a permutation matrix and DD is a diagonal matrix with Dii∈{±1±O(μamax⁡⋆/λ)}D_{ii}\in\left\{\pm 1\pm O(\mu a^{\star}_{\max}/\lambda)\right\}.More precisely, ∣Dii∣=11−μ∣σ^4∣ai⋆/(6λ)|D_{ii}|=\sqrt{\frac{1}{1-\mu|\hat{\sigma}_{4}|a^{\star}_{i}/(\sqrt{6}\lambda)}} Furthermore, this means that all local minima of GG are also global.

Any saddle point BB has a strictly negative curvature in the sense that λmin⁡(∇2G(B))≥−τ0\lambda_{\min}(\nabla^{2}G(B))\geq-\tau_{0} where τ0=cmin⁡{μamin⁡⋆/(κ⋆d),λ}\tau_{0}=c\min\{\mu a^{\star}_{\min}/(\kappa^{\star}d),\lambda\}

Suppose BB is an approximate local minimum in the sense that BB satisfies

Then BB can be written as B=PDB⋆+EB⋆B=PDB^{\star}+EB^{\star} where PP is a permutation matrix, DD is a diagonal matrix satisfying the same bound as in bullet 1, and ∣E∣∞≤O(ε/(σ^4amin⁡⋆))|E|_{\infty}\leq O(\varepsilon/(\hat{\sigma}_{4}a^{\star}_{\min})).

As a direct consequence, BB is Od(ε)O_{d}(\varepsilon)-close to a global minimum in Euclidean distance, where Od(⋅)O_{d}(\cdot) hides polynomial dependency on dd and other parameters.

The theorem above implies that we can learn B⋆B^{\star} (up to permutation of rows and sign-flip) if we take λ\lambda to be sufficiently large and optimize G(⋅)G(\cdot) using stochastic gradient descent. In this case, the diagonal matrix DD in bullet 1 is sufficiently close to identity (up to sign flip) and therefore a local minimum BB is close to B⋆B^{\star} up to permutation of rows and sign flip. The sign of each bi⋆b^{\star}_{i} can be recovered easily after we recover aa (see Lemma 2.5 below.)

Stochastic gradient descent converges to a local minimum [GHJY15] (under the additional property as established in bullet 2 above), which is also a global minimum for the function G(⋅)G(\cdot). We will prove the theorem in Section 5 as a direct corollary of Theorem 5.1. The technical bullet 2 and 3 of the theorem is to ensure that we can use stochastic gradient descent to converge to a local minimum as stated below.In the most general setting, converging to a local minimum of a non-convex function is NP-hard.

In the setting of Theorem 2.3, we can use stochastic gradient descent to optimize function G(⋅)G(\cdot) (with fresh samples at each iteration) and converge to an approximate global minimum BB that is ε\varepsilon-close to a global minimum in time poly⁡(d,1/ε)\operatorname{poly}(d,1/\varepsilon).

After approximately recovering the matrix B⋆B^{\star}, we can also recover the coefficient a⋆a^{\star} easily. Note that fixing BB, we can fit aa using simply linear regression. For the ease of analysis, we analyze a slightly different algorithm. The lemma below is proved in Section B.

Given a matrix BB whose rows have unit norm, and are δ\delta-close to B⋆B^{\star} in Euclidean distance up to permutation and sign flip with δ≤1/(2κ⋆)\delta\leq 1/(2\kappa^{\star}). Then, we can give estimates a,B′a,B^{\prime} (using e.g., Algorithm 1) such that there exists a permutation PP where ∥a−Pa⋆∥∞≤δamax⁡⋆\|a-Pa^{\star}\|_{\infty}\leq\delta a^{\star}_{\max} and B′B^{\prime} is row-wise δ\delta-close to PB⋆PB^{\star}.

The key step towards analyzing objective function G(B)G(B) is the following theorem that gives an analytic formula for G(⋅)G(\cdot).

Theorem 2.6 is proved in Section 4. We will motivate our design choices with a brief overview in Section 3 and formally analyze the landscape of GG in Section 5 (see Theorem 5.1).

: Extending Theorem 2.3, we can characterize the landscape of the empirical risk G^\widehat{G}, which implies that stochastic gradient on G^\widehat{G} also converges approximately to the ground-truth parameters with polynomial number of samples.

In the setting of Theorem 2.3, suppose we use NN empirical samples to approximate GG and obtain empirical risk G^\widehat{G}. There exists a fixed polynomial \mboxpoly(d,1/ε)\mbox{poly}(d,1/\varepsilon) such that if N≥\mboxpoly(d,1/ε)N\geq\mbox{poly}(d,1/\varepsilon), then with high probability the landscape of G^\widehat{G} very similar properties to that of GG.

Precisely, if BB is an approximate local minimum in the sense that λmin(∇2G^(B))≥−τ0/2\lambda_{min}(\nabla^{2}\widehat{G}(B))\geq-\tau_{0}/2 and ∥∇G^(B)∥≤ε/2\|\nabla\widehat{G}(B)\|\leq\varepsilon/2, then BB can be written as B=DPB⋆+EB⋆B=DPB^{\star}+EB^{\star} where PP is a permutation matrix, DD is a diagonal matrix and ∣E∣∞≤O(ε/(σ^4amin⁡⋆))|E|_{\infty}\leq O(\varepsilon/(\hat{\sigma}_{4}a^{\star}_{\min})).

All of the results above assume that B⋆B^{\star} is orthogonal. Since the local minimum are preserved by linear transformation of the input space, these results can be extended to the general case when B⋆B^{\star} is not orthogonal but full rank (with some additional technicality) or the case when the dimension is larger than the number of neurons (m<dm<d). See Section A for details.

Overview: Landscape Design and Analysis

In this section, we present a general overview of ideas behind the design of objective function G(⋅)G(\cdot). Inspired by the formula (2.3), in Section 3.1, we envision a family of possible objective functions for which we have unbiased estimators via samples. In Section 3.2, we pick a specific function that feeds our needs: a) it has no spurious local minimum; b) the global minimum corresponds to the ground-truth parameters.

Recall that in equation (2.2) of Theorem 2.1 we give an analytic formula for the straightforward population risk ff. Although the population risk ff doesn’t perform well empirically, the lesson that we learn from it help us design better objective functions. One of the key fact that leads to the proof of Theorem 2.1 is that for any continuous and bounded function γ\gamma, we have that

Here σ^k\hat{\sigma}_{k} and γ^k\hat{\gamma}_{k} are the kk-th Hermite coefficient of the function σ\sigma and γ\gamma. That is, letting hkh_{k} the kk-th normalized probabilists’ Hermite polynomials [Wik17b] and ⟨⋅,⋅⟩\langle\cdot,\cdot\rangle be the standard inner product between functions, we have σ^k=⟨hk,σ⟩\hat{\sigma}_{k}=\langle h_{k},\sigma\rangle.

Note that γ\gamma can be chosen arbitrarily to extract different terms. For example, by choosing γ=hk\gamma=h_{k}, we obtain that

That is, we can always access functions forms that involves weighted sum of the powers of ⟨bi⋆,bi⟩\langle b^{\star}_{i},b_{i}\rangle, as in RHS of equation (3.1).

Using a bit more technical tools in Fourier analysis (see details in Section 4), we claim that most of the symmetric polynomials over variables ⟨bi⋆,bj⟩\langle b^{\star}_{i},b_{j}\rangle can be estimated by samples:

For an arbitrary polynomial p()p() over a single variable, there exits a corresponding function ϕp\phi^{p} such that

Moreover, for an any polynomial q(⋅,⋅)q(\cdot,\cdot) over two variables, there exists corresponding ϕq\phi^{q} such that

We will not prove these two general claims. Instead, we only focus on the formulas in Theorem 4.5 and Theorem 4.6, which are two special cases of the claims above.

Motivated by Claim 4.3, in the next subsection, we will pick an objective function which has no spurious local minimum among those functional forms on the right-hand sides of equation (3.2) and (3.3).

2 Which objective has no spurious local minima?

As discussed briefly in the introduction, one of the technical difficulties to design and analyze objective functions for neural networks comes from the permutation invariance — if a matrix BB is a good solution, then any permutation of the rows of BB still gives an equally good solution (if we also permute the coefficients in aa accordingly). We only know of a very limited number of objective functions that guarantee to enjoy permutation invariance and have no spurious local minima [GHJY15].

We start by considering the objective function used in [GHJY15],

Note that here we overload the notation by using bi⋆b^{\star}_{i}’s to denote a set of fixed vectors that we wanted to recover and using bib_{i}’s to denote the variables. Careful readers may notice that P(B)P(B) doesn’t fall into the family of functions that we described in the previous section (that is, RHS equation of (3.2) and (3.3)), because it lacks the weighting ai⋆a^{\star}_{i}’s. We will fix this issue later in the subsection. Before that we first summarize the nice properties of the landscape of P(B)P(B).

For the simplicity of the discussion, let’s assume B⋆=[(b1⋆)⊤⋮(bd⋆)⊤]B^{\star}=\begin{bmatrix}(b^{\star}_{1})^{\top}\\ \vdots\\ (b^{\star}_{d})^{\top}\end{bmatrix} forms an orthonormal matrix in the rest of the subsection. Then, any permutation and sign-flip of the rows of B⋆B^{\star} leads to a global minimum of P(⋅)P(\cdot) — when B=SQB⋆B=SQB^{\star} with a permutation matrix QQ and a sign matrix SS (diagonal with ±1\pm 1), we have that P(B)=0P(B)=0 because one of ⟨bi⋆,bj⟩2\langle b^{\star}_{i},b_{j}\rangle^{2} and ⟨bi⋆,bk⟩2\langle b^{\star}_{i},b_{k}\rangle^{2} has to be zero for all i,j,ki,j,kNote that B⋆B^{\star} is orthogonal, and j≠kj\neq k).

It turns out that these permutations/sign-flips of B⋆B^{\star} are also the only local minimaWe note that since there are constraints here, by local minimum we mean the local minimum on the manifold defined by the constraints. of function P(⋅)P(\cdot). To see this, notice that P(B)P(B) is a degree-2 polynomial of BB. Thus if we pick an index ss and fix every row except for bsb_{s}, then P(B)P(B) is a quadratic function over unit vector bsb_{s} – reduces to an smallest eigenvector problem. Eigenvector problems are known to have no spurious local minimum. Thus the corresponding function (w.r.t bsb_{s}) has no spurious local minimum. It turns out the same property still holds when we treat all the rows as variables and add the row-wise norm constraints (see proof in [GHJY15]).

However, there are two issues with using objective function P(B)P(B). The obvious one is that it doesn’t involve the coefficients ai⋆a^{\star}_{i}’s and thus doesn’t fall into the forms of equation (3.3). Optimistically, we would hope that for nonnegative ai⋆a^{\star}_{i}’s the weighted version of PP below would also enjoy the similar landscape property

When ai⋆a^{\star}_{i}’s are positive, indeed the global minimum of P′P^{\prime} are still just all the permutations of the B⋆B^{\star}.This is the main reason why we require a⋆≥0a^{\star}\geq 0. However, when max⁡ai⋆>2min⁡ai⋆\max a^{\star}_{i}>2\min a^{\star}_{i}, we found that P′P^{\prime} starts to have spurious local minima . It seems that spurious local minimum often occurs when a row of BB is a linear combination of a smaller number of rows of B⋆B^{\star}. See Section D for a concrete example.

To remove such spurious local minima, we add a regularization term below that pushes each row of BB to be close to one of the rows of B⋆B^{\star},

We see that for each fixed jj, the part in R(B)R(B) that involves bjb_{j} has the form

This is commonly used objective function for decomposing tensor ∑iai⋆bi⋆⊗4\sum_{i}a^{\star}_{i}{b^{\star}_{i}}^{\otimes 4}. It’s known that for orthogonal bi⋆b^{\star}_{i}’s, the only local minima are ±b1⋆,…,±bd⋆\pm b^{\star}_{1},\dots,\pm b^{\star}_{d} [GHJY15]. Therefore, intuitively R(B)R(B) pushes each of the bib_{i}’s towards one of the bi⋆b^{\star}_{i}’s. However, note that R(B)R(B) by itself doesn’t work because it does not prevent the solutions where all the bib_{i}’s are equal to the same bj⋆b^{\star}_{j}. Choosing μ\mu to be small enough, it turns out that P′(B)+R(B)P^{\prime}(B)+R(B) doesn’t have any spurious local minimum as we will show in Section 5.

Another issue with the choice of P′(B)+R(B)P^{\prime}(B)+R(B) is that we are still having a constraint minimization problem. Such row-wise norm constraints only make sense when the ground-truth B⋆B^{\star} is orthogonal and thus has unit row norm. A straightforward generalization of P(B)P(B) to non-orthogonal case requires some special constraints that also depend on the covariance matrix B⋆B⋆⊤B^{\star}{B^{\star}}^{\top}, which in turn requires a specialized procedure to estimate. Instead, we move the constraints into the objective function by considering adding another regularization term that approximately enforces the constraints.

It turns out the following regularizer suffices for the orthogonal case,

Moreover, we can extend this easily to the non-orthogonal case (see Section A) without estimating any statistics of B⋆B^{\star} in advance. We note that S(B)S(B) is not the Lagrangian multiplier and it does change the global minima slightly. We will take λ\lambda to be large enough so that ∥bi∥\lVert b_{i}\rVert has to be close to 1. As a summary, we finally use the unconstrained objective

Since R(B)R(B) and S(B)S(B) are degree-4 polynomials of BB, the analysis of G(B)G(B) is much more delicate, and we cannot use much linear algebra as we could for P′(B)P^{\prime}(B). See Section 5 for details.

Finally we note that a feature of this objective G(⋅)G(\cdot) is that it only takes BB as variables. We will estimate the value of a⋆a^{\star} after we recover the value of BB. (see Section B). ·

Analytic Formula for Population Risks

The polynomials h0,…,hm,…h_{0},\dots,h_{m},\dots are orthogonal to each other under this inner product:

Since h0,…,hm,…,h_{0},\dots,h_{m},\dots, forms a complete orthonormal basis, we have the expansion that

We will leverage several other nice properties of the Hermite polynomials in our proofs. The following claim connects the Hermite polynomial to the coefficients of Taylor expansion of a certain exponential function. It can also serve as a definition of Hermite polynomials.

Let s=u⊤xs=u^{\top}x and t=v⊤xt=v^{\top}x. Then s,ts,t are two spherical standard normal random variables that are ⟨u,v⟩\langle u,v\rangle-correlated, and we have that

We expand σ(s)\sigma(s) and γ(t)\gamma(t) in the Fourier basis and obtain that

In this section we prove Theorem 2.1 and Theorem 2.2, which both follow from the following more general Theorem.

where σ^k,γ^k\hat{\sigma}_{k},\hat{\gamma}_{k} are the kk-th Hermite coefficients of the function σ\sigma and γ\gamma respectively.

We can see that Theorem 2.1 follows from choosing γ=σ\gamma=\sigma and Theorem 2.2 follows from choosing γ=σ^2h2+σ^4h4\gamma=\hat{\sigma}_{2}h_{2}+\hat{\sigma}_{4}h_{4}. The key intuition here is that we can decompose σ\sigma into a weighted combination of Hermite polynomials, and each Hermite polynomial influence the population risk more or less independently (because they are orthogonal polynomials with respect to the Gaussian measure).

3 Analytic Formula for population risk G𝐺G

In this section we show that the population risk G(⋅)G(\cdot) (defined as in equation (2.8)) has the following analytical formula:

The formula will be crucial for the analysis of the landscape of G(⋅)G(\cdot) in Section 5. The formula follows straightforwardly from the following two theorems and the definition (2.8).

Let ϕ(⋅,⋅,⋅)\phi(\cdot,\cdot,\cdot) be defined as in equation (2.10), we have that

Let φ(⋅,⋅)\varphi(\cdot,\cdot) be defined as in equation (2.9), then we have that

In the rest of the section we prove Theorem 4.5 and 4.6.

We start with a simple but fundamental lemma. Essentially all the result in this section follows from expanding the two sides of equation (4.1) below.

Next we extend some of the results in the previous section to the setting with different scaling (such as when vv in Claim 4.3 is no longer a unit vector.)

As a sanity check, we can verify that when vv is a unit vector, φ(v,x)=24h4(v⊤x)\varphi(v,x)=\sqrt{24}h_{4}(v^{\top}x) and th Lemma reduces to a special case of Claim 4.2.

where the last line is by the fact that φ(v,x)=[s4]exp⁡(v⊤xs−12∥v∥2s2)\varphi(v,x)={[s^{4}]}\exp(v^{\top}xs-\frac{1}{2}\lVert v\rVert^{2}s^{2}). This can be verified by applying Claim 4.1 with t=s∥v∥t=s\lVert v\rVert and z=vTx∥v∥z=\frac{v^{T}x}{\lVert v\rVert}, and noting that H4(x)=x4−6x2+3H_{4}(x)=x^{4}-6x^{2}+3. ∎

Now we are ready prove Theorem 4.6 using Lemma 4.8.

Using the fact that σ(v⊤x)=∑k=0∞σ^khk(v⊤x)\sigma(v^{\top}x)=\sum_{k=0}^{\infty}\hat{\sigma}_{k}h_{k}(v^{\top}x), we have that

Using the fact that ⟨u,v+w⟩2+⟨u,v−w⟩4−2⟨u,v⟩2−2⟨u,w⟩4=12⟨u,v⟩2⟨u,w⟩2\langle u,v+w\rangle^{2}+\langle u,v-w\rangle^{4}-2\langle u,v\rangle^{2}-2\langle u,w\rangle^{4}=12\langle u,v\rangle^{2}\langle u,w\rangle^{2} and Lemma 4.8, we have that

Using the fact that σ(u⊤x)=∑k=0∞σ^khk(u⊤x)\sigma(u^{\top}x)=\sum_{k=0}^{\infty}\hat{\sigma}_{k}h_{k}(u^{\top}x), we conclude that

Now we are ready to prove Theorem 4.5 by using Lemma 4.9 for every summand.

Landscape of Population Risk G​(⋅)𝐺⋅G(\cdot)

In this section we prove Theorem 2.3. Since the landscape property is invariant with respect to rotations of parameters, without loss of generality we assume B⋆B^{\star} is the identity matrix Id throughout this section. (See Section A for a precise statement for the invariance.) Recall that by Theorem 2.6, the population risk G(⋅)G(\cdot) in the case of B⋆=IdB^{\star}=\textup{Id} is equal to

In the rest of section we work with the formula above for G(⋅)G(\cdot) instead of the original definition. In fact, for future reference, we study a more general version of the function GG. For nonnegative vectors α,β\alpha,\beta and nonnegative number μ\mu, let Gα,β,μG_{\alpha,\beta,\mu} be defined as

Here eie_{i} denotes the ii-th natural basis vector. We see that GG is sub-case of Gα,β,μG_{\alpha,\beta,\mu} and we prove the following extension of Theorem 2.3. Let αmax⁡=max⁡iαi\alpha_{\max}=\max_{i}\alpha_{i} and αmin⁡=min⁡iαi\alpha_{\min}=\min_{i}\alpha_{i}.

Let κα=αmax⁡/αmin⁡\kappa_{\alpha}=\alpha_{\max}/\alpha_{\min} and cc be a sufficiently small universal constant (e.g. c=10−2c=10^{-2} suffices). Suppose μ≤cαmin⁡/βmax⁡\mu\leq c\alpha_{\min}/\beta_{\max} and λ≥4max⁡(μβmax⁡,αmax⁡)\lambda\geq 4\max(\mu\beta_{\max},\alpha_{\max}). Then, the function Gα,β,μ(B)G_{\alpha,\beta,\mu}(B) defined as in equation (5.2) satisfies that

A matrix BB is a local minimum of Gα,β,μG_{\alpha,\beta,\mu} if and only if BB can be written as B=DPB=DP where PP is a permutation matrix and DD is a diagonal matrix with Dii∈{±11−μβi/λ}D_{ii}\in\left\{\pm\sqrt{\frac{1}{1-\mu\beta_{i}/\lambda}}\right\}.

Any saddle point BB has strictly negative curvature in the sense that λmin⁡(∇2Gα,β,μ(B))≤−τ0\lambda_{\min}(\nabla^{2}G_{\alpha,\beta,\mu}(B))\leq-\tau_{0} where τ0=cmin⁡{μβmin⁡/(καd),μβmin⁡2/βmax⁡,λ}\tau_{0}=c\min\{\mu\beta_{\min}/(\kappa_{\alpha}d),\mu\beta_{\min}^{2}/\beta_{\max},\lambda\}

Suppose BB is an approximate local minimum in the sense that BB satisfies

Then BB can be written as B=DP+EB=DP+E where PP is a permutation matrix, DD is a diagonal matrix with the entries satisfying

As a direct consequence, BB is Od(ε)O_{d}(\varepsilon)-close to a global minimum in Euclidean distance, where Od(⋅)O_{d}(\cdot) hides polynomial dependency on dd and other parameters.

Here we recall that ∣E∣∞|E|_{\infty} denotes the largest entries in the matrix EE. Theorem 2.3 follows straightforwardly from Theorem 5.1 by setting α=26∣σ^4∣a⋆\alpha=2\sqrt{6}|\hat{\sigma}_{4}|a^{\star} and β=∣σ^4∣a⋆/6\beta=|\hat{\sigma}_{4}|a^{\star}/\sqrt{6}. In the rest of the section we prove Theorem 5.1.

Note that our variable BB is a matrix of dimension d×dd\times d and we use bib_{i} to denote the rows of BB, that is, B=[b1⊤⋮bd⊤]B=\begin{bmatrix}b_{1}^{\top}\\ \vdots\\ b_{d}^{\top}\end{bmatrix}. Naturally, towards analyzing the properties of a local minimum BB, the first step is that we pick a row bsb_{s} of BB and treat only bsb_{s} as variables and others rows as fixed. We will show that local optimality of bsb_{s} will imply that bsb_{s} is equal to one of the basis vector eje_{j} up to some scaling factor. This step is done in Section 5.1. Then in Section 5.2 we show that the local optimality of all the variables in BB implies that each of the rows of BB corresponds to different basis vector, which implies that BB is a permutation matrix (up to scaling of the rows).

Suppose we fix b1,⋯ ,bs−1,bs+1,⋯ ,bdb_{1},\cdots,b_{s-1},b_{s+1},\cdots,b_{d}, and optimize only over bsb_{s}, we obtain the objective hh of the following form:

We can see that setting αi=ai⋆∑k≠s(bk⊤ei)2, βi=ai⋆, and x=bs\alpha_{i}=a^{\star}_{i}\sum_{k\neq s}(b_{k}^{\top}e_{i})^{2},\,\beta_{i}=a^{\star}_{i},\text{ and }x=b_{s} gives us the original objective G(B)G(B). In this subsection, we will work with h(⋅)h(\cdot) and analyze the properties of the local minima of h(⋅)h(\cdot).

The following lemma shows that a local minimum xx of the objective h(⋅)h(\cdot) must be a scaling of a basis vector. Recall that ∣x∣2nd\left|x\right|_{\textup{2nd}} denotes the second largest absolute value of the entries of xx. The lemma deals generally an approximate local minimum, though we suggest casual readers simply think of ε,τ=0\varepsilon,\tau=0 in the lemma.

Without loss of generality, we can take ε=τ3/βmin⁡\varepsilon=\sqrt{\tau^{3}/\beta_{\min}} which means τ=ε2/3βmin⁡1/3\tau=\varepsilon^{2/3}\beta_{\min}^{1/3}. The gradient and Hessian of function h(⋅)h(\cdot) are

where γ≜4λ(∥x∥2−1)\gamma\triangleq 4\lambda(\lVert x\rVert^{2}-1).

Let S={i:∣xi∣≥δ}S=\{i:|x_{i}|\geq\delta\} be the indices of the coordinates that are significantly away from zero, where δ=(εβmin⁡)1/3\delta=\left(\frac{\varepsilon}{\beta_{\min}}\right)^{1/3}. Since ∥∇h(x)∥≤ε\lVert\nabla h(x)\rVert\leq\varepsilon, we have that ∣∇h(x)i∣≤ε|\nabla h(x)_{i}|\leq\varepsilon for every i∈[d]i\in[d], which implies that

If ∣S∣=1|S|=1, then we are done because ∣x∣2nd≤δ\left|x\right|_{\textup{2nd}}\leq\delta. Next we prove that ∣S∣≥2|S|\geq 2. For the sake of contradiction, we assume that ∣S∣≥2|S|\geq 2. Moreover, WLOG, we assume that ∣x∣1≥∣x∣2|x|_{1}\geq|x|_{2} are the two largest entries of ∣x∣|x| in absolute values.

Recall that δ=(εβmin⁡)1/3\delta=\left(\frac{\varepsilon}{\beta_{\min}}\right)^{1/3}. Then we conclude that

This contradicts with the assumption that λmin⁡(∇2h(x))≥−βmin⁡1/3ε2/3=τ\lambda_{\min}(\nabla^{2}h(x))\geq-\beta_{\min}^{1/3}\varepsilon^{2/3}=\tau and that ∥v∥=1\lVert v\rVert=1. Therefore we have ∣S∣=1|S|=1 and

For future reference, we can also show that for a sufficiently strong regularization term (sufficiently large λ\lambda), the norm of a local minimum xx should be bounded from below and above by 1/21/2 and 22. This are rather coarse bounds that suffice for our purpose in this subsection. In Section 5.2 we will show that all the rows of a local minimum BB of GG have norm close to 1.

Suppose in addition that λ≥4max⁡(βmax⁡,τ)\lambda\geq 4\max(\beta_{\max},\tau) and ε≤0.1βmin⁡d−3/2\varepsilon\leq 0.1\beta_{\min}d^{-3/2}, then

Let i⋆=arg⁡max⁡i∣xi∣i^{\star}=\arg\max_{i}|x_{i}|. In addition to the previous conditions in bullet 1, assume that λ≥4αi⋆\lambda\geq 4\alpha_{i^{\star}}. Then,

We remark that we have to state the conditions for the upperbounds and lowerbounds separately since they will be used with these different conditions.

Let S={i:∣xi∣≥δ}S=\{i:|x_{i}|\geq\delta\} be the indices of the coordinates that are significantly away from zero, where δ=(εβmin⁡)1/3\delta=\left(\frac{\varepsilon}{\beta_{\min}}\right)^{1/3}. We first show that ∥x∥2≤2\lVert x\rVert^{2}\leq 2. We divide into two cases:

SS is empty. Since ε≤0.1βmin⁡d−3/2\varepsilon\leq 0.1\beta_{\min}d^{-3/2}, then δ≤2d\delta\leq\frac{\sqrt{2}}{\sqrt{d}}. We conclude that ∥x∥2≤2\lVert x\rVert^{2}\leq 2.

SS is non-empty. For i∈Si\in S, recall equation (5.6) which implies that

Since λ≥4βmax⁡\lambda\geq 4\beta_{\max}, so λ≥βmin⁡1/3ε2/3≥3ε4δ\lambda\geq\beta_{\min}^{1/3}\varepsilon^{2/3}\geq\frac{3\varepsilon}{4\delta}, and thus from the display above we have that ∥x∥2≤2\lVert x\rVert^{2}\leq 2.

Next we show that ∥x∥2≥12\lVert x\rVert^{2}\geq\frac{1}{2}. Again we divide into two cases:

SS is empty. For the sake of contradiction, assume that ∥x∥2≤12\lVert x\rVert^{2}\leq\frac{1}{2}, then γ≤−2λ\gamma\leq-2\lambda. We show that there is sufficient negative curvature. Recall that

Choose index j⋆j^{\star} so that αj⋆=αmin⁡\alpha_{j^{\star}}=\alpha_{\min}, then

This contradicts with the fact that λmin⁡(∇2h(x))≥−τ\lambda_{\min}(\nabla^{2}h(x))\geq-\tau. Thus when SS is empty, ∥x∥2≥12\lVert x\rVert^{2}\geq\frac{1}{2}.

SS is non-empty. Recall that i⋆=arg⁡max⁡i∣xi∣i^{\star}=\arg\max_{i}|x_{i}|, and by definition i⋆∈Si^{\star}\in S. Using Equation (5.6)

Since λ≥4αi⋆\lambda\geq 4\alpha_{i^{\star}}, and λ≥βmin⁡1/3ε2/3≥εδ\lambda\geq\beta_{\min}^{1/3}\varepsilon^{2/3}\geq\frac{\varepsilon}{\delta}, we conclude that ∥x∥2≥1/2\lVert x\rVert^{2}\geq 1/2.

We have shown that a local minimum xx of hh should be a scaling of the basis vector ei⋆e_{i^{\star}}. The following lemma strengthens the result by demonstrating that not all basis vector can be a local minimum — the corresponding coefficient αi⋆\alpha_{i^{\star}} has to be reasonably small for ei⋆e_{i^{\star}} being a local minimum. The key intuition here is that if αi⋆\alpha_{i^{\star}} is very large compared to other entries of α\alpha, then if we move locally the mass of ei⋆e_{i^{\star}} from entry i⋆i^{\star} to some other index jj, the objective function will be likely to decrease because αjxj2\alpha_{j}x_{j}^{2} is likely to be smaller than αi⋆xi⋆2\alpha_{i^{\star}}x_{i^{\star}}^{2}. (Indeed, we will show that such movement will cause a second-order decrease of the objective function in the proof.)

In the setting of Lemma 5.2, let i⋆=arg⁡max⁡i∣xi∣i^{\star}=\arg\max_{i}|x_{i}|. If ∥∇h(x)∥≤ε\lVert\nabla h(x)\rVert\leq\varepsilon, and λmin⁡(∇2h(x))>−τ\lambda_{\min}(\nabla^{2}h(x))>-\tau for 0≤τ≤0.1βmin⁡/d0\leq\tau\leq 0.1\beta_{\min}/d and ε≤τ3/βmin⁡\varepsilon\leq\sqrt{\tau^{3}/\beta_{\min}}, then

For the ease of notation, assume WLOG that i⋆=1i^{\star}=1. Let δ=(τ/βmin⁡)1/2\delta=(\tau/\beta_{\min})^{1/2}. By the assumptions, we have that δ≤16d\delta\leq\frac{1}{\sqrt{6d}}. By Lemma 5.2, we have ∥x∥2≥12\lVert x\rVert^{2}\geq\frac{1}{2}, which implies that

Define v=−(xkx1)e1+ekv=-\left(\frac{x_{k}}{x_{1}}\right)e_{1}+e_{k}. Since x1x_{1} is the largest entry of xx, we can verify that 1≤∥v∥2=1+xk2x12≤21\leq\lVert v\rVert^{2}=1+\frac{x_{k}^{2}}{x_{1}^{2}}\leq 2. By the assumption, we have that

On the other hand, recall the form of Hessian (equation (5.4)), by straightforward algebraic manipulation, we have that

Combining equation (5.8) and the equation above gives

Since kk is arbitrary we complete the proof. ∎

The previous lemma implies that it’s very likely that the local minimum xx can be written as x=xi⋆ei⋆x=x_{i^{\star}}e_{i^{\star}} and the index i⋆i^{\star} is also likely to be the argmin of α\alpha. The following technical lemma shows that when this indeed happens, then we can strengthen Lemma 5.2 in terms of the error bound’s dependency on ε\varepsilon and τ\tau. In Lemma 5.2, we have that ∣x∣2nd\left|x\right|_{\textup{2nd}} is bounded by a function of τ\tau. Here we strengthen the bound to be a function that only depends on ε\varepsilon. Thus as long as τ\tau be small enough so that we can apply Lemma 5.2 and Lemma 5.4 to meet the condition of the lemma below, then we get an error bound that goes to zero as ε\varepsilon goes to zero. This translates to the error bound in bullet 3 of Theorem 5.1 where the bound on EE only depends on ε\varepsilon. For casual readers we suggest to skip this Lemma since its precise functionality will only be clearer in the proof of Theorem 5.1.

In the setting of Lemma 5.2, in addition we assume that i=argmink∣αk∣i=\textup{argmin}_{k}|\alpha_{k}| and that xx can be written as x=xiei+x−ix=x_{i}e_{i}+x_{-i} satisfying

WLOG, let i=1i=1. Let xjx_{j} be the second largest entry of xx in absolute value. Define v1=4β1x12−2α1−γv_{1}=4\beta_{1}x_{1}^{2}-2\alpha_{1}-\gamma, and similarly vj=4βjxj2−2αj−γv_{j}=4\beta_{j}x_{j}^{2}-2\alpha_{j}-\gamma. Since ∥∇h(x)∥≤ε\lVert\nabla h(x)\rVert\leq\varepsilon, by equation (5.6), we have that ∣v1∣≤ε∣x1∣|v_{1}|\leq\frac{\varepsilon}{|x_{1}|} and ∣v2∣=ε∣xj∣|v_{2}|=\frac{\varepsilon}{|x_{j}|}. Subtracting 4β1x12=2α1+γ+v14\beta_{1}x_{1}^{2}=2\alpha_{1}+\gamma+v_{1} and 4βjxj2=2αj+γ+vj4\beta_{j}x_{j}^{2}=2\alpha_{j}+\gamma+v_{j}, we obtain,

Since ∥x∥2≥12\lVert x\rVert^{2}\geq\frac{1}{2}, then x12≥12−dδ2≥13x_{1}^{2}\geq\frac{1}{2}-d\delta^{2}\geq\frac{1}{3}. Since ∣xj∣≤δ|x_{j}|\leq\delta,

Since ∣v1∣≤ε∣x1∣|v_{1}|\leq\frac{\varepsilon}{|x_{1}|} and ∣v2∣=ε∣x2∣|v_{2}|=\frac{\varepsilon}{|x_{2}|},

and re-arranging gives ∣xj∣≤3εβmin⁡|x_{j}|\leq 3\frac{\varepsilon}{\beta_{\min}}. ∎

2 Local Optimality of All the Variables

In this section we prove Theorem 5.1. Results in Subsection 5.1 have established that if BB is a local minimum, then each row bsb_{s} of BB has to be a scaling of a basis vector. In this section we show that these basis vectors need to be distinct from each other. The following proposition summaries such a claim (with a weak error analysis).

In the setting of Theorem 5.1, suppose BB satisfies

for parameters τ,ε\tau,\varepsilon satisfying 0≤τ≤cmin⁡{μβmin⁡/(καd),λ}0\leq\tau\leq c\min\{\mu\beta_{\min}/(\kappa_{\alpha}d),\lambda\} and ε≤cmin⁡{αmin⁡,τ3/βmin⁡}\varepsilon\leq c\min\{\alpha_{\min},\sqrt{\tau^{3}/\beta_{\min}}\}. Then, the matrix BB can be written as

where DD is diagonal such that ∀i,∣Dii∣∈[1/4,2]\forall i,|D_{ii}|\in[1/4,2], and PP is a permutation matrix, and ∣E∣∞≤δ|E|_{\infty}\leq\delta with δ=(τμβmin⁡)1/2\delta=\left(\frac{\tau}{\mu\beta_{\min}}\right)^{1/2}.

As alluded before, in the proof we will first apply the results in Section 5.1 to show that when BB is a local minimum, each row bsb_{s} has a unique large entry. Then we will show that the largest entries of each row sit on different columns. The key intuition behind the proof is that if two rows, say row s,ts,t, have their large entries on the same column, then it means that there exists a column— say column kk — that doesn’t contain largest entry of any row. Then either row ss or tt will violate Lemma 5.4. Or in other words, either row ss or tt can move their mass into the column kk to decrease the function value. This contradicts the assumption that BB is a local minimum.

As pointed in the paragraph below equation (5.3), when we restrict our attention to a particular row of BB and fix the rest of the rows the function Gα,β,μG_{\alpha,\beta,\mu} reduces to the function h(⋅)h(\cdot) in equation (5.3) so that we can apply lemmas in Section 5.1.

Concretely, fix an index s∈[d]s\in[d] and let x=bsx=b_{s}. For all i∈[d]i\in[d], let αˉi=αi∑j≠s(bj⊤ei)2\bar{\alpha}_{i}=\alpha_{i}\sum_{j\neq s}(b_{j}^{\top}e_{i})^{2}, and βˉi=μβi\bar{\beta}_{i}=\mu\beta_{i}. Then we have that

We view the function above as h(x)h(x). Now we apply Lemma 5.2 (by replacing α,β\alpha,\beta in Lemma 5.2 by αˉ,βˉ\bar{\alpha},\bar{\beta}). The assumption that λmin⁡(∇2gα,β,μ(B))≥−τ\lambda_{\min}(\nabla^{2}g_{\alpha,\beta,\mu}(B))\geq-\tau implies that λmin⁡(∇2h(x))≥−τ\lambda_{\min}(\nabla^{2}h(x))\geq-\tau since ∇2h(x)\nabla^{2}h(x) is a submatrix of ∇2g(B)\nabla^{2}g(B). Moreover, ∥∇h(x)∥≤∥∇G(B)∥≤ε≤τ3/(μβmin⁡)\lVert\nabla h(x)\rVert\leq\lVert\nabla G(B)\rVert\leq\varepsilon\leq\sqrt{\tau^{3}/(\mu\beta_{\min})}

Hence by Lemma 5.2, we have that the second largest entry of ∣bs∣|b_{s}| satisfies

where δ≜(τμβmin⁡)1/2\delta\triangleq\left(\frac{\tau}{\mu\beta_{\min}}\right)^{1/2} for the ease of notation. We can check that δ≤14καd\delta\leq\frac{1}{4\sqrt{\kappa_{\alpha}d}} by the assumption. Therefore, we have essentially shown that each row of BB has only one single large entry, since the second largest entry is at most δ\delta.

Next we show that each row of BB has largest entries on distinct columns. For each row j∈[d]j\in[d], let ij=arg⁡max⁡i∣ei⊤bj∣i_{j}=\arg\max_{i}|e_{i}^{\top}b_{j}| be the index of the largest entry of bjb_{j}. We will show that i1,…,idi_{1},\ldots,i_{d} are distinct.

For the sake of contradiction, suppose they are not distinct, that is, there are two distinct rows s,ts,t that have the same largest entries on column ll, that is, we assume that is=it=li_{s}=i_{t}=l. This implies that {i1,…,id}≠[d]\{i_{1},\ldots,i_{d}\}\neq[d] and let k∈[d]k\in[d] be the index such that k∉{i1,…,id}k\notin\{i_{1},\ldots,i_{d}\}. We note that by the assumption δ=(τμβmin⁡)1/2≤14καd≤14d\delta=\left(\frac{\tau}{\mu\beta_{\min}}\right)^{1/2}\leq\frac{1}{4\sqrt{\kappa_{\alpha}d}}\leq\frac{1}{4\sqrt{d}}. We first bound from above αˉk\bar{\alpha}_{k}

Assume in addition without loss of generality that ∣bs⊤el∣≤∣bt⊤el∣|b_{s}^{\top}e_{l}|\leq|b_{t}^{\top}e_{l}|. Let

be the sum of squares of the entries on the column ll without entry bj⊤elb_{j}^{\top}e_{l}, and that αˉl=αlzl\bar{\alpha}_{l}=\alpha_{l}z_{l} . We first prove that zl≥1/3z_{l}\geq 1/3.

For the sake of contradiction, assume zl<1/3.z_{l}<1/3. Then we have that αˉl=αlz≤13αl .\bar{\alpha}_{l}=\alpha_{l}z\leq\frac{1}{3}\alpha_{l}\,. This implies that λ≥4max⁡{αˉl,τ}\lambda\geq 4\max\{\bar{\alpha}_{l},\tau\}, and since ll is the index of the largest column of bsb_{s} we can invoke Lemma 5.3 and conclude that ∥bs∥2≥1/2\lVert b_{s}\rVert^{2}\geq 1/2. This further implies that

Since we have assumed that ∣bs⊤el∣≤∣bt⊤el∣|b_{s}^{\top}e_{l}|\leq|b_{t}^{\top}e_{l}|. Then we obtain that

which contradicts the assumption. Therefore, we conclude that zl≥1/3z_{l}\geq 1/3. Then we are ready to bound αˉl\bar{\alpha}_{l} from below:

The display above and Equation (5.13) implies that

Note that ll is the largest entry in absolute value in the vector bsb_{s}. We will apply Lemma 5.4. We fix every row of BB except bsb_{s} and consider the objective as a function of bsb_{s} only. Again let αˉi=αi∑j≠s(bj⊤ei)2\bar{\alpha}_{i}=\alpha_{i}\sum_{j\neq s}(b_{j}^{\top}e_{i})^{2}, and βˉi=μβi\bar{\beta}_{i}=\mu\beta_{i} and we have the equation (5.11). (Note that now αˉ\bar{\alpha} depends on the choice of ss which we fixed.) Lemma 5.4 gives us that

Since ε≤150αmin⁡\varepsilon\leq\frac{1}{50}\alpha_{\min}, τ≤150αmin⁡\tau\leq\frac{1}{50}\alpha_{\min} and βˉl=μβl≤150αmin⁡\bar{\beta}_{l}=\mu\beta_{l}\leq\frac{1}{50}\alpha_{\min}, we obtain that

which contradicts equation (5.14). Thus we have established that i1,…,idi_{1},\dots,i_{d} are distinct.

Finally, let QQ be the matrix that only contain the largest entries (in absolute value) of each columns of BB. Since i1,…,idi_{1},\dots,i_{d} are distinct, we have that QQ contains exactly one entry per row and per column. Therefore QQ can be written as DPDP where PP is a permutation matrix and DD is a diagonal matrix. Moreover, we have that ∥bs∥∞2≥∥bs∥2−d∣bs∣2nd2≥1/4\lVert b_{s}\rVert_{\infty}^{2}\geq\lVert b_{s}\rVert^{2}-d\left|b_{s}\right|_{\textup{2nd}}^{2}\geq 1/4 and ∥bs∥2≤2\lVert b_{s}\rVert^{2}\leq 2. Therefore, the largest entry of each row has absolute value between 1/41/4 and 22. Therefore ∣D∣ii∈[1/4,2]|D|_{ii}\in[1/4,2]. Let E=B−PDE=B-PD. Then we have that ∣E∣∞≤max⁡s∣bs∣2nd≤δ|E|_{\infty}\leq\max_{s}\left|b_{s}\right|_{\textup{2nd}}\leq\delta,which completes the proof.

Applying Lemma 5.5, we can further strengthen Proposition 5.6 with better error bounds and better control of the largest entries of each column.

In the setting of Proposition 5.6. Suppose in addition that τ\tau satisfies τ≤cμβmin⁡2/βmax⁡\tau\leq c\mu\beta_{\min}^{2}/\beta_{\max}. Then, the matrix BB can be written as

where PP is a permutation matrix, DD is diagonal such that

By Proposition 5.6, we know that ∣E∣∞≤δ=(τμβmin⁡)1/2|E|_{\infty}\leq\delta=\left(\frac{\tau}{\mu\beta_{\min}}\right)^{1/2}. Now we use Lemma 5.5 to strength the error bound.

As we have done in the proof of Proposition 5.6, we again fix an arbitrary s∈[d]s\in[d] and all the rows except bsb_{s} and view Gα,β,μG_{\alpha,\beta,\mu} as a function of bsb_{s}. For all i∈[d]i\in[d], let αˉi=αi∑j≠s(bj⊤ei)2\bar{\alpha}_{i}=\alpha_{i}\sum_{j\neq s}(b_{j}^{\top}e_{i})^{2}, and βˉi=μβi\bar{\beta}_{i}=\mu\beta_{i} and view Gα,β,μG_{\alpha,\beta,\mu} as a function of the form h(x)h(x) with α,β\alpha,\beta replaced by αˉ,βˉ\bar{\alpha},\bar{\beta}, namely,

We will verify the condition of Lemma 5.5. Let ii be the index of the largest entry in absolute value of the vector bsb_{s}. Since we have shown that the largest entry in each row sits on different columns, and the second largest entry is always less than δ\delta, we have that,

For any k≠ik\neq i, we know that the column kk contains some entry (k,jk)(k,j_{k}) which is the largest entry of some row, and we also have that jk≠sj_{k}\neq s since the largest entry of row ss is on column ii. Therefore, we have that

Therefore, αkˉ≥αiˉ\bar{\alpha_{k}}\geq\bar{\alpha_{i}} for any k≠ik\neq i and thus i=argmink∣αˉk∣i=\textup{argmin}_{k}|\bar{\alpha}_{k}|. By the fact that ∣E∣∞≤δ|E|_{\infty}\leq\delta, we have that ∥x−i∥∞≤δ≤0.1min⁡{1/d,βmin⁡/(βmax⁡)}\lVert x_{-i}\rVert_{\infty}\leq\delta\leq 0.1\min\{1/\sqrt{d},\sqrt{\beta_{\min}/(\beta_{\max})}\}. Now we are ready to apply Lemma 5.5 and obtain that ∣bs∣2nd≤3εβmin⁡\left|b_{s}\right|_{\textup{2nd}}\leq\frac{3\varepsilon}{\beta_{\min}}. Applying the argument for every row ss gives ∣E∣∞≤3εβmin⁡|E|_{\infty}\leq\frac{3\varepsilon}{\beta_{\min}}.

Finally, we give the bound for the entires in DD. Let vv be a short hand for ∇h(bs)\nabla h(b_{s}) which is equal to the ss-th column of ∇G(B)\nabla G(B). Since BB is an ε\varepsilon-approximate stationary point, then we have that ∥v∥≤ε\lVert v\rVert\leq\varepsilon and by straightforward calculation of the gradient, we have

Since xi≠0x_{i}\neq 0, dividing by xix_{i} gives,

To upper bound xi2x_{i}^{2} , we note that ∣vi∣<ε|v_{i}|<\varepsilon, αˉi>0\bar{\alpha}_{i}>0, and ∑j≠ixj2>0\sum_{j\neq i}x_{j}^{2}>0, so

For the lower bound of xi2x_{i}^{2}, we note that ∣E∣∞≤δ=3εβmin⁡|E|_{\infty}\leq\delta=\frac{3\varepsilon}{\beta_{\min}} implies ∑j≠ixj2≤dδ2\sum_{j\neq i}x_{j}^{2}\leq d\delta^{2}. Moreover, we have proved that each rows has largest entry at different columns. Also note that the largest entry of row bsb_{s} is on column ii. Therefore, we have αˉi=αi∑j≠s(bjTei)2≤αmax⁡dδ2\bar{\alpha}_{i}=\alpha_{i}\sum_{j\neq s}(b_{j}^{T}e_{i})^{2}\leq\alpha_{\max}d\delta^{2}. Using these two estimates and δ=3εβmin⁡\delta=\frac{3\varepsilon}{\beta_{\min}}, we have

Finally we are ready to prove Theorem 5.1 by applying Proposition 5.6.

By setting ε=0,τ=0\varepsilon=0,\tau=0 in Proposition 5.6, we have that any local minimum BB satisfies that B=DPB=DP where PP is a permutation matrix and DD is a diagonal and the precise diagonal entries of DD. It can be verified that all these points have the same function value, so that they are all global minimizers.

Towards proving the second bullet, we note that a saddle point BB satisfies that ∇G(B)=0\nabla G(B)=0. We will prove that λmin⁡(∇2G(B))≤−τ0\lambda_{\min}(\nabla^{2}G(B))\leq-\tau_{0}. For the sake of contradiction, suppose λmin⁡(∇2G(B))≥−τ0\lambda_{\min}(\nabla^{2}G(B))\geq-\tau_{0}. Then setting ε=0\varepsilon=0 and τ=τ0\tau=\tau_{0} in Propostion 5.7, we have that B=DPB=DP and Dii={±11−μβi/λ}D_{ii}=\left\{\pm\sqrt{\frac{1}{1-\mu\beta_{i}/\lambda}}\right\}, which by bullet 1 implies that BB is a local minimum. This contradicts the assumption that BB is a saddle point.

The 3rd bullet is a just a rephrasing of Proposition 5.7. ∎

Simulation

In this section, we provide simple simulation results that verify that minimizing G(B)G(B) with SGD recovers a permutation of B⋆B^{\star}; however, minimizing Equation (2.2) with SGD results in finding spurious local minima. Based on the formula for the population risk in Equation (2.3), we also verified empirically the conjecture that SGD would successfully recover B⋆B^{\star} using the activation functions γ(z)=σ^2h2(z)+σ^4h4(z)\gamma(z)=\hat{\sigma}_{2}h_{2}(z)+\hat{\sigma}_{4}h_{4}(z),We also observed that using γ(z)=12∣z∣\gamma(z)=\frac{1}{2}|z| also works but due to the space limitation we don’t report the experimental results here. even if the data were generated via a model with ReLU activation. (See Section 2.1 for the rationale behind such conjectures.)

For all of our experiments, we chose B⋆=Idd×dB^{\star}=\textup{Id}_{d\times d} with dimension d=50d=50 and a⋆=1a^{\star}=\mathbf{1} for simplicity, and the data is generated from a one-hidden-layer network with ReLU activation without noise. We use stochastic gradient descent with fresh samples at each iteration, and we plot the (expected) population error (that is, the error on a fresh batch of examples).

Then we have that if e(Q)≤εe(Q)\leq\varepsilon for some ε<1/3\varepsilon<1/3, then it implies that QQ is 2ε\sqrt{2\varepsilon}-close to a permutation matrix in infinity norm. On the other direction, we know that if e(Q)>εe(Q)>\varepsilon, then QQ is not ε\varepsilon-close to any permutation matrix in infinity norm. The latter statement also holds when QQ doesn’t have row norm 11.

Figure 1 shows that without over-parameterization, using ReLU as an activation function, SGD doesn’t converge to zero test error and the ground-truth parameters. We decreased step-size by a factor of 44 every 50005000 number of iterations after the error plateaus at 1000010000 iterations. For the final 50005000 iterations, the step-size is less than 10−910^{-9}, so we can be confident that the non-zero objective value is not due to the variance of SGD. We see that none of the five runs of SGD converged to a global minimum.

Figure 2 shows that using σ^2h2+σ^4h4\hat{\sigma}_{2}h_{2}+\hat{\sigma}_{4}h_{4} as the activation function, SGD with projection to the set of matrices BB with row norm 1 converges to the ground-truth parameters. We also plot the loss function which converges the value of a global minimum. (We subtracted the constant term in equation (2.7) so that the global minimum has loss 0.)

Figure 3 shows that using our objective function G(B)G(B), the iterate converges to the ground truth matrix B⋆B^{\star}. The fact that the parameter error goes up and down is not surprising, because the algorithm first gets close to a saddle point and then breaks ties and converges to a one of the global minima.

Finally we note that using the loss function G(⋅)G(\cdot) seems to require significantly larger batch (and sample complexity) to reduce the variance in the gradients estimation. We used batch size 262144 in the experiment for G(⋅)G(\cdot). However, in contrast, for the σ^2h2+σ4^h4\hat{\sigma}_{2}h_{2}+\hat{\sigma_{4}}h_{4} we used batch size 8192 and for relu we used batch size 256.

Conclusion

Designing objective functions with well-behaved landscape is an intriguing and fruitful direction. We hope that our techniques can be useful for characterizing and designing the optimization landscape for other settings.

We conjecture that the objective αf2+βf4\alpha f_{2}+\beta f_{4} has no spurious local minimum when α,β\alpha,\beta are reasonable constants and the ground-truth parameters are in general positionSee equation (2.4) for the definition of fkf_{k} and Theorem 2.2 for how to access αf2+βf4\alpha f_{2}+\beta f_{4} in the setting of one-hidden-layer neural nets.. We provided empirical evidence to support the conjecture.

Our results assume that the input distribution is Gaussian. Extending them to other input distributions is a very interesting open problem.

References

Appendix A Handling Non-Orthogonal Weights

In this section, we first show that when the weight vectors {bi⋆}′s\{b^{\star}_{i}\}^{\prime}s are not orthonormal, the local optimum of a slight variant of G(B)G(B) still allow us to recover B⋆B^{\star}. The main observation is that the set of local minima are preserved (in a certain sense) by linear transformation of the variables. We design an objective function F(B)F(B) that is equivalent to G(B)G(B) up to a linear transformation. This allows us to use Theorem 2.3 as a black box to characterize all the local minima of FF.

Given a function f(y)f(y), we say function g(⋅)g(\cdot) is a linear transformation of f(⋅)f(\cdot) if there is a matrix WW such that g(x)=f(Wx)g(x)=f(Wx). If WW has full rank, the local minima of ff are closely related to the local minima of gg.

We recall some standard notation in calculus first. We use ∇f(t)\nabla f(t) to denote the gradient of ff evaluated at tt. For example, ∇f(Wx)\nabla f(Wx) is a shorthand for ∂f(y)∂y∣y=Wx\frac{\partial f(y)}{\partial y}|_{y=Wx}, and similarly ∇2f(Wx)\nabla^{2}f(Wx) is ∂2f(y)(∂y)2∣y=Wx\frac{\partial^{2}f(y)}{(\partial y)^{2}}|_{y=Wx}.

The following theorem then connects the gradients and Hessians of f(Wx)f(Wx) and g(x)g(x). Essentially, it shows that the set of local minima and saddle points have a 1-1 mapping between ff and gg, and the corresponding norms/eigenvalues only differ multiplicatively by quantities related to the spectrum of WW.

σmin(W)∥∇f(Wx)∥≤∥∇g(x)∥≤σmax⁡(W)∥∇f(Wx)∥\sigma_{min}(W)\|\nabla f(Wx)\|\leq\|\nabla g(x)\|\leq\sigma_{\max}(W)\|\nabla f(Wx)\|.

If λmin(∇2g(x))<0\lambda_{min}(\nabla^{2}g(x))<0, then

The point xx satisfies the first and second order optimality condition for gg iff y=Wxy=Wx also satisfy the first and second order optimality condition for ff.

The proof follows from the relationship between the gradients of gg and the gradients of ff. By basic calculus, we have

which immediately implies bullet 1. Similarly, we can compute the second order derivative:

To simplify notation, let A=∇2f(Wx)A=\nabla^{2}f(Wx). Let x=arg⁡min⁡∥x∥=1x⊤W⊤AWxx=\arg\min_{\lVert x\rVert=1}x^{\top}W^{\top}AWx, and y=(Wx)/∥Wx∥y=(Wx)/\|Wx\|. Therefore

On the other hand, let yy be the unit vector that minimizes y⊤Ayy^{\top}Ay, we know yy is in column span of WW because ff is only defined on the row span, so there must exist a unit vector xx such that Wx=λyWx=\lambda y where λ≥σmin(W)\lambda\geq\sigma_{min}(W). For this xx we have λmin(W⊤AW)≤x⊤W⊤AWx=λ2λmin(A)≤σmin2(W)λmin(A)\lambda_{min}(W^{\top}AW)\leq x^{\top}W^{\top}AWx=\lambda^{2}\lambda_{min}(A)\leq\sigma_{min}^{2}(W)\lambda_{min}(A). This finishes the proof for 2.

Finally, notice that WW is full rank, so ∇g(x)=W⊤∇f(Wx)=0\nabla g(x)=W^{\top}\nabla f(Wx)=0 iff ∇f(Wx)=0\nabla f(Wx)=0. Also, ∇2g(x)=W⊤[∇2f(Wx)]W⪰0\nabla^{2}g(x)=W^{\top}[\nabla^{2}f(Wx)]W\succeq 0 iff ∇2f(Wx)⪰0\nabla^{2}f(Wx)\succeq 0. ∎

A.2 Objective for Non-Orthogonal Weights

Now we will design a new objective function that can be linearly transformed to the orthonormal case. The main idea is to view the rows of B⋆B^{\star} as the new basis that we work on (which is not necessarily orthogonal). Note that this is already the case for the first two terms of the objective function G(B)G(B), we change the objective function as follows: More concretely, we define

Note that the only change in the objective is the regularizer for the norm of bjb_{j}. It is now replaced by ((∑i=1mαi⟨bj,bi⋆⟩2−1)2−1)2((\sum_{i=1}^{m}\alpha_{i}\langle b_{j},b^{\star}_{i}\rangle^{2}-1)^{2}-1)^{2}, which tries to ensure the “norm” of bjb_{j} in the basis defined by row of B⋆B^{\star} to be 1. The objective function that we will optimize corresponds to choosing αi=ai⋆\alpha_{i}=a^{\star}_{i}.

Similar as before, this function can be computed as expectations

where (x′,y′)(x^{\prime},y^{\prime}) is an independent sample, and ϕ2(v,x)=(v⊤x)2−∥v∥2\phi_{2}(v,x)=(v^{\top}x)^{2}-\|v\|^{2}.

Intuitively, if we can find a linear transformation that makes {bi⋆}\{b^{\star}_{i}\}’s orthonormal, that will reduce the problem to the orthonormal case. This is in fact the whitening matrix:

Let M=∑i=1mai⋆bi⋆(bi⋆)⊤M=\sum_{i=1}^{m}a^{\star}_{i}b^{\star}_{i}(b^{\star}_{i})^{\top} be the weighted covariance matrix of bi⋆b^{\star}_{i}’s. Suppose the SVD of MM is UDU⊤UDU^{\top} and let W=UD−1/2W=UD^{-1/2}. We apply the transformation W⊤W^{\top} to the vectors ai⋆bi\sqrt{a^{\star}_{i}}b_{i}’s and obtain that oi=W⊤ai⋆bi⋆o_{i}=W^{\top}\sqrt{a^{\star}_{i}}b^{\star}_{i}. We can verify that oio_{i}’s are orthogonal vectors because

(That is, the index oo denotes the ground-truth solution with respect to which GG is defined.)

The next Theorem shows that we can rotate the objective function FF properly so that it matches the objective GG with a ground-truth vector oio_{i}’s.

Let WW be defined as above, and let 1/a⋆1/a^{\star} be the vector whose ii-th entry is 1/ai⋆1/a^{\star}_{i}. Then, we have that

Note this can be interpreted as a linear transformation as in vector format BW⊤\mathcal{B}W^{\top} is equal to B⋅(W⊤⊗Idd×d)\mathcal{B}\cdot(W^{\top}\otimes\textup{Id}_{d\times d}).

The equality can be obtained by straightforward calculation. We note that since B=[bˉ1⊤⋮bˉm⊤]\mathcal{B}=\begin{bmatrix}\bar{b}_{1}^{\top}\\ \vdots\\ \bar{b}_{m}^{\top}\end{bmatrix}, the rows of B⋅(W⊤⊗Idd×d)\mathcal{B}\cdot(W^{\top}\otimes\textup{Id}_{d\times d}) are Wbˉ1,…,WbˉmW\bar{b}_{1},\dots,W\bar{b}_{m}.

From Theorem 2.3 we can immediately get the following Corollary (note that the only difference is that the coefficients now are 1/ai⋆1/a^{\star}_{i} instead of ai⋆a^{\star}_{i}). Recall amax⋆=max⁡iai⋆a^{\star}_{max}=\max_{i}a^{\star}_{i} and amin⋆=min⁡iamin⋆a^{\star}_{min}=\min_{i}a^{\star}_{min}, we have

Let κa=amax⋆/amin⋆\kappa_{a}=a^{\star}_{max}/a^{\star}_{min}. Let cc be a sufficiently small universal constant (e.g. c=0.01c=0.01 suffices). Assume μ≤c/κa\mu\leq c/\kappa_{a} and λ≥(camin⋆)−1\lambda\geq(ca^{\star}_{min})^{-1}. The function G1/a⋆,μ,λ,oi(⋅)G_{1/a^{\star},\mu,\lambda,o_{i}}(\cdot) defined as in Theorem A.2 satisfies that

A matrix B\mathcal{B} is a local minimum of GG if and only if B\mathcal{B} can be written as B=PDO\mathcal{B}=PDO where OO is a matrix whose rows are oio_{i}’s, PP is a permutation matrix and DD is a diagonal matrix with Dii∈{±1±O(μ/λamin⋆)}D_{ii}\in\left\{\pm 1\pm O(\mu/\lambda a^{\star}_{min})\right\}.

Any saddle point B\mathcal{B} has a strictly negative curvature in the sense that λmin⁡(∇2G(B))≥−τ0\lambda_{\min}(\nabla^{2}G(\mathcal{B}))\geq-\tau_{0} where τ0=cmin⁡{μ/(κaamax⋆d),λ}\tau_{0}=c\min\{\mu/(\kappa_{a}a^{\star}_{max}d),\lambda\}

Suppose B\mathcal{B} is an approximate local minimum in the sense that B\mathcal{B} satisfies

Then B\mathcal{B} can be written as B=PDO+E\mathcal{B}=PDO+E where PP is a permutation matrix, DD is a diagonal matrix and ∣E∣∞≤O(εamax⋆/σ^4)|E|_{\infty}\leq O(\varepsilon a^{\star}_{max}/\hat{\sigma}_{4}).

Finally, we can combine the theorem above and Theorem 5.1 to give a guarantee for optimizing FF. Let Γ\Gamma be a diagonal matrix with Γii=ai⋆\Gamma_{ii}=\sqrt{a^{\star}_{i}}. Let M=B⋆⊤Γ2B⋆M={B^{\star}}^{\top}{\Gamma}^{2}B^{\star} and κ(M)=∥M∥/σmin(M)\kappa(M)=\|M\|/\sigma_{min}(M).

Let cc be a sufficiently small universal constant (e.g. c=0.01c=0.01 suffices). Let κa=amax⋆/amin⋆\kappa_{a}=a^{\star}_{max}/a^{\star}_{min}. Assume μ≤c/κa\mu\leq c/\kappa_{a} and λ≥1/(c⋅amin⁡⋆)\lambda\geq 1/(c\cdot a^{\star}_{\min}). The function F(⋅)F(\cdot) defined as in Theorem A.2 satisfies that

A matrix BB is a local minimum of FF if and only if BB satisfy B−⊤=PDΓB⋆B^{-\top}=PD\Gamma B^{\star} where PP is a permutation matrix, Γ\Gamma is a diagonal matrix with Γii=ai⋆\Gamma_{ii}=\sqrt{a^{\star}_{i}}, and DD is a diagonal matrix with Dii∈{±1±O(μ/λamin⋆)}D_{ii}\in\left\{\pm 1\pm O(\mu/\lambda a^{\star}_{min})\right\}. Furthermore, this means that all local minima of FF are also global.

Any saddle point BB has a strictly negative curvature in the sense that λmin⁡(∇2F(B))≥−τ0\lambda_{\min}(\nabla^{2}F(B))\geq-\tau_{0} where τ0=cmin⁡{μ/(κadamax⁡⋆),λ}σmin(M)\tau_{0}=c\min\{\mu/(\kappa_{a}da^{\star}_{\max}),\lambda\}\sigma_{min}(M).

Suppose BB is an approximate local minimum in the sense that BB satisfies

Then BB can be written as B−⊤=PDΓB⋆+EB^{-\top}=PD\Gamma B^{\star}+E where Γ,D,P\Gamma,D,P are as in 1, the error term ∥E∥≤O(εamax⁡⋆md⋅κ(M)1/2/σ^4)\|E\|\leq O(\varepsilon a^{\star}_{\max}\sqrt{md}\cdot\kappa(M)^{1/2}/\hat{\sigma}_{4}) (when εamax⁡⋆md⋅κ(M)1/2/σ^4<c\varepsilon a^{\star}_{\max}\sqrt{md}\cdot\kappa(M)^{1/2}/\hat{\sigma}_{4}<c).

Note that we can immediately apply Theorem 2.3 to G1/a⋆,μ,λ,oi(B)G_{1/a^{\star},\mu,\lambda,o_{i}}(B) to characterize all its local minima. See Corollary A.3.

Next we will transform the properties for local minima of GG (stated in Corollary A.3) to FF using Theorem A.1. First we note that the transformation matrix WW and MM are closely related:

This is because according to the definition of WW, the SVD of MM is M=UDU⊤M=UDU^{\top} and W=UD−1/2W=UD^{-1/2}, so WW⊤=UD−1U⊤=M−1WW^{\top}=UD^{-1}U^{\top}=M^{-1}. The claims of the singular values follow immediately from the SVD of MM and WW.

As a result, all local minimum of FF are of the form BW⊤\mathcal{B}W^{\top} where B\mathcal{B} is a local minimum of GG. For B=BW⊤B=\mathcal{B}W^{\top}, the gradient and Hessian of F(B)F(B) and G(B)G(\mathcal{B}) are also related by Theorem A.1.

Let us first prove 1. By Corollary A.3, we know every local minimum of GG is of the form B=PDO\mathcal{B}=PDO. According to the definition of OO in Theorem A.2, we know each row vector oio_{i} is equal to W⊤(ai⋆)1/2bi⋆W^{\top}(a^{\star}_{i})^{1/2}b^{\star}_{i}, therefore O=ΓB⋆WO=\Gamma B^{\star}W. As a result, all local minima of GG are of the form B=PDΓB⋆W\mathcal{B}=PD\Gamma B^{\star}W. By Theorem A.1 and Theorem A.2, we know all local minima of FF must be of the form B=BW⊤=PDΓB⋆WW⊤=PDΓB⋆M−1B=\mathcal{B}W^{\top}=PD\Gamma B^{\star}WW^{\top}=PD\Gamma B^{\star}M^{-1}.

Now we try to compute B−⊤B^{-\top}. To do that observe that [ΓB⋆]M−1[ΓB⋆]⊤=I[\Gamma B^{\star}]M^{-1}[\Gamma B^{\star}]^{\top}=I. Therefore [ΓB⋆M−1]−⊤=ΓB⋆[\Gamma B^{\star}M^{-1}]^{-\top}=\Gamma B^{\star}, and for any local minimum BB, we have

Note that P⊤P^{\top} is still a permutation matrix, and D−⊤D^{-\top} is still a matrix whose diagonal entries are {±1±O(μ/λamin⁡⋆)}\{\pm 1\pm O(\mu/\lambda a^{\star}_{\min})\}, so this is exactly the form we stated in 1. More concretely, the rows of B−⊤B^{-\top} are permutations of ai⋆bi⋆\sqrt{a^{\star}_{i}}b^{\star}_{i}.

For bullet 2, it follows immediately from Property 2 in Theorem A.1. Note that by property 2,

Finally we will prove 3. Let B=BW−⊤\mathcal{B}=BW^{-\top}, so that G(B)=F(B)G(\mathcal{B})=F(B). We will prove properties of BB using the properties of B\mathcal{B} from Corollary A.3.

Therefore the second order condition for Claim 3 in Corollary A.3 is satisfied. Now when ∥∇F(B)∥≤ε\|\nabla F(B)\|\leq\varepsilon, we have ∥∇G(B)∥≤ε∥W∥=ε/σmin(M)1/2\|\nabla G(\mathcal{B})\|\leq\varepsilon\|W\|=\varepsilon/\sigma_{min}(M)^{1/2}. By Corollary A.3, we know B\mathcal{B} can be expressed as PDO+E′PDO+E^{\prime} where DD is the diagonal matrix, PP is a permutation matrix and ∣E′∣∞≤O(εamax⁡⋆/(σ^4σmin(M)1/2))|E^{\prime}|_{\infty}\leq O(\varepsilon a^{\star}_{\max}/(\hat{\sigma}_{4}\sigma_{min}(M)^{1/2})). We will apply perturbation Theorem A.9 for matrix inversion. Since σmin(PDO)≥1/2\sigma_{min}(PDO)\geq 1/2, we know when ∥E′∥≤1/4\|E^{\prime}\|\leq 1/4,

Here ∥E∥\|E\| is bounded by ∥E∥F≤md∣E′∣∞≤O(εamax⁡⋆md/(σ^4σmin(M)1/2))\|E\|_{F}\leq\sqrt{md}|E^{\prime}|_{\infty}\leq O(\varepsilon a^{\star}_{\max}\sqrt{md}/(\hat{\sigma}_{4}\sigma_{min}(M)^{1/2})), which is smaller than 1/41/4 when ε\varepsilon is small enough.

The corresponding point in FF is B=BW⊤B=\mathcal{B}W^{\top}, and in 1 we have already proved (PDOW⊤)−⊤(PDOW^{\top})^{-\top} is of the form we want, therefore we can define E=B−⊤−(PDOW⊤)−⊤=(B−PDO)−⊤W−1E=B^{-\top}-(PDOW^{\top})^{-\top}=(\mathcal{B}-PDO)^{-\top}W^{-1}, and

A.3 Handle Undercomplete Case

The objective function FF can handle the case when the weights bi⋆b^{\star}_{i}’s are not orthogonal, but still requires the number of components mm to be equal to the number of dimensions dd. In this section we show how to use similar ideas for the case when the number of components is smaller than the dimension (m<dm<d).

Note that all the terms in F(B)F(B) only depends on the inner-products ⟨bj,bi⋆⟩\langle b_{j},b^{\star}_{i}\rangle. Let S\mathcal{S} be the span of {bi⋆}\{b^{\star}_{i}\}’s and PSP_{\mathcal{S}} be the projection matrix to this subspace, it is easy to see that F(B)F(B) satisfies

That is, the previous objective function only depends on the projection of BB in the space S\mathcal{S}. Using similar argument as Theorem A.4, it is not hard to show the only local optimum in S\mathcal{S} satisfies the same conditions, and allow us to recover B⋆B^{\star}. However, without modifying the objective, the local optimum of F(B)F(B) can have arbitrary components in the orthogonal subspace S⊥\mathcal{S}^{\perp}.

Intuitively, since the first term Fα,μ,λ(B)F_{\alpha,\mu,\lambda}(B) only cares about the projection BPSBP_{\mathcal{S}}, minimizing ∥B∥F2\|B\|_{F}^{2} will remove the components in the orthogonal subspace of S\mathcal{S}. We will choose δ\delta carefully to make sure that the additional term does not change the local optima of Fα,μ,λ(B)F_{\alpha,\mu,\lambda}(B) by too much, while still ensuring a small projection on S⊥\mathcal{S}^{\perp}.

In this case we will consider pseudo-inverse instead of inverse. In particular, for a m×dm\times d matrix BB, define its pseudo-inverse B†B^{\dagger} to be the matrix such that BB†=Idm×mBB^{\dagger}=\textup{Id}_{m\times m} and B†BB^{\dagger}B is the projection to the row span of BB.

Let M=∑i=1mai⋆bi⋆(bi⋆)⊤M=\sum_{i=1}^{m}a^{\star}_{i}b^{\star}_{i}(b^{\star}_{i})^{\top}, κ(M)=∥M∥/σm(M)\kappa(M)=\|M\|/\sigma_{m}(M).

For any desired accuracy ε0\varepsilon_{0}, we can choose parameters ε,δ,τ0,μ,λ\varepsilon,\delta,\tau_{0},\mu,\lambda, such that for the objective function Fa⋆,μ,λ,δ(B)\mathcal{F}_{a^{\star},\mu,\lambda,\delta}(B), for any BB such that

we have [B†]⊤=B⋆DΓP+E[B^{{\dagger}}]^{\top}=B^{\star}D\Gamma P+E where Γ\Gamma is a diagonal matrix with entries ai⋆\sqrt{a^{\star}_{i}}, DD is a diagonal matrix with entries close to 1, PP is a permutation matrix and ∥E∥≤ε0\|E\|\leq\varepsilon_{0}.

To choose the parameters, let cc be a sufficiently small universal constant (e.g. c=0.01c=0.01 suffices). Assume μ≤c/κ⋆\mu\leq c/\kappa^{\star} and λ≥1/(c⋅amin⁡⋆)\lambda\geq 1/(c\cdot a^{\star}_{\min}). Let τ0=cmin⁡{μ/(κdamax⁡⋆),λ}σmin(M)\tau_{0}=c\min\{\mu/(\kappa da^{\star}_{\max}),\lambda\}\sigma_{min}(M). Let δ≤min⁡{cσ^4ε0amax⋆⋅mdκ1/2(M),τ0/2}\delta\leq\min\{\frac{c\hat{\sigma}_{4}\varepsilon_{0}}{a^{\star}_{max}\cdot m\sqrt{d}\kappa^{1/2}(M)},\tau_{0}/2\}, and ε=min⁡{λσmin(M)1/2,cδ/∥M∥,cε0δσmin(M)}\varepsilon=\min\{\lambda\sigma_{min}(M)^{1/2},c\delta/\sqrt{\|M\|},c\varepsilon_{0}\delta\sigma_{min}(M)\}.

We first show that if the gradient is small, then the point cannot have a large component in S⊥\mathcal{S}^{\perp}.

If ∥∇Fa⋆,μ,λ,δ(B)∥≤ε\|\nabla\mathcal{F}_{a^{\star},\mu,\lambda,\delta}(B)\|\leq\varepsilon, then ∥PS⊥B∥F≤ε/δ\|P_{\mathcal{S}^{\perp}}B\|_{F}\leq\varepsilon/\delta.

Since Fa⋆,μ,λ(B)F_{a^{\star},\mu,\lambda}(B) only depends BPSBP_{\mathcal{S}}, we know ∇Fa⋆,μ,λ(B)PS⊥=0\nabla F_{a^{\star},\mu,\lambda}(B)P_{\mathcal{S}^{\perp}}=0. Therefore ε≥∥∇Fa⋆,μ,λ,δ(B)PS⊥∥F=∥(δB)PS⊥∥F=δ∥PS⊥B∥F\varepsilon\geq\|\nabla\mathcal{F}_{a^{\star},\mu,\lambda,\delta}(B)P_{\mathcal{S}^{\perp}}\|_{F}=\|(\delta B)P_{\mathcal{S}^{\perp}}\|_{F}=\delta\|P_{\mathcal{S}^{\perp}}B\|_{F}, and we have ∥BPS⊥∥F≤ε/δ\|BP_{\mathcal{S}^{\perp}}\|_{F}\leq\varepsilon/\delta as desired. ∎

Next we show that if the gradient of Fa⋆,μ,λ,δ(B)\mathcal{F}_{a^{\star},\mu,\lambda,\delta}(B) is small, and δ\delta is also small, then the gradient of Fa⋆,μ,λ(B)F_{a^{\star},\mu,\lambda}(B) can be bounded.

In the setting of Theorem A.5, if ∥∇Fa⋆,μ,λ,δ(B)∥≤ε≤λσmin(M)1/2\|\nabla\mathcal{F}_{a^{\star},\mu,\lambda,\delta}(B)\|\leq\varepsilon\leq\lambda\sigma_{min}(M)^{1/2}, then we have

Towards proving Lemma A.7, we first bound the norm of BB by the following claim:

If ∥∇Fa⋆,μ,λ,δ(B)∥≤λσmin(M)1/2\|\nabla\mathcal{F}_{a^{\star},\mu,\lambda,\delta}(B)\|\leq\lambda\sigma_{min}(M)^{1/2}, then each row bib_{i} must satisfy bi⊤Mbi≤2b_{i}^{\top}Mb_{i}\leq 2.

We prove by contradiction. Assume towards contradiction that there is a column bib_{i} such that bi⊤Mbi≥2b_{i}^{\top}Mb_{i}\geq 2. We consider the quantity,

Note that Fa⋆,μ,λ,δ\mathcal{F}_{a^{\star},\mu,\lambda,\delta} has 4 terms: (1) 26σ^⋅∑i∈[d]αi∑j,k∈[d]⟨bi⋆,bj⟩2⟨bi⋆,bk⟩22\sqrt{6}\hat{\sigma}\cdot\sum_{i\in[d]}\alpha_{i}\sum_{j,k\in[d]}\langle b^{\star}_{i},b_{j}\rangle^{2}\langle b^{\star}_{i},b_{k}\rangle^{2}, (2) −σ^4μ6∑i,j∈[d]αi⟨bi⋆,bj⟩4-\frac{\hat{\sigma}_{4}\mu}{\sqrt{6}}\sum_{i,j\in[d]}\alpha_{i}\langle b^{\star}_{i},b_{j}\rangle^{4}, (3) λ∑j=1m((∑i=1mαi⟨bj,bi⋆⟩2−1)2−1)2\lambda\sum_{j=1}^{m}((\sum_{i=1}^{m}\alpha_{i}\langle b_{j},b^{\star}_{i}\rangle^{2}-1)^{2}-1)^{2}, (4) δ2∥B∥F2\frac{\delta}{2}\|B\|_{F}^{2}.

Among these 4 terms, the first, third and forth terms all contribute positively to this inner-product (because when bib_{i} is moved to (1−ε)bi(1-\varepsilon)b_{i} all those terms clearly decrease). Term 2 −σ^4μ6∑i,j∈[m]ai⋆⟨bi⋆,bj⟩4-\frac{\hat{\sigma}_{4}\mu}{\sqrt{6}}\sum_{i,j\in[m]}a^{\star}_{i}\langle b^{\star}_{i},b_{j}\rangle^{4} contribute negatively. Therefore we can ignore terms 1 and 4:

Let bi⊤Mbi=C≥2b_{i}^{\top}Mb_{i}=C\geq 2, we know ∑i∈[m]ai⋆⟨bi⋆,bj⟩4≤1amin⋆∑i∈[m](ai⋆)2⟨bi⋆,bj⟩4≤C2/amin⋆\sum_{i\in[m]}a^{\star}_{i}\langle b^{\star}_{i},b_{j}\rangle^{4}\leq\frac{1}{a^{\star}_{min}}\sum_{i\in[m]}(a^{\star}_{i})^{2}\langle b^{\star}_{i},b_{j}\rangle^{4}\leq C^{2}/a^{\star}_{min}. Therefore,

By the choice of λ,μ\lambda,\mu, we can see that the negative term is negligible, and we know

Since bi⊤Mbi=Cb_{i}^{\top}Mb_{i}=C, we have ∥bi∥≤C/σmin(M)\|b_{i}\|\leq\sqrt{C/\sigma_{min}(M)}. Therefore the norm of the gradient is at least 2λC(C−1)/∥bi∣≥22λσmin(M)2\lambda C(C-1)/\|b_{i}|\geq 2\sqrt{2}\lambda\sigma_{min}(M), this contradicts with the assumption. The norm of the rows must all be bounded. ∎

We have that bi⊤Mbi≤2b_{i}^{\top}Mb_{i}\leq 2 implies ∥bi∥2≤2/σmin(M)\|b_{i}\|^{2}\leq 2/\sigma_{min}(M). The norm of the whole matrix is bounded by∥B∥F≤∑i=1m∥bi∥2≤2m/σmin(M)\|B\|_{F}\leq\sqrt{\sum_{i=1}^{m}\|b_{i}\|^{2}}\leq\sqrt{2m/\sigma_{min}(M)}, so by triangle inequality we have

Finally we are ready to prove Theorem A.5.

We will separate BB into two components BS=BPSB_{\mathcal{S}}=BP_{\mathcal{S}} and B⊥=BPS⊥B_{\perp}=BP_{\mathcal{S}^{\perp}}.

We will first show that BSB_{\mathcal{S}} is close to the desirable solution. To do that we will use Theorem A.4 If we restrict all the vectors to the subspace S\mathcal{S}, we can still apply Theorem A.4 as long as we replace all inverses with pseudo-inverses.. By the choice of ε,δ\varepsilon,\delta, we know from Lemma A.7 that ∥∇Fa⋆,μ,λ(BS)∥≤2δ2m/σmin(M)\|\nabla F_{a^{\star},\mu,\lambda}(B_{\mathcal{S}})\|\leq 2\delta\sqrt{2m/\sigma_{min}(M)}. Also, ∇2Fa⋆,μ,λ(BS)≥∇2Fa⋆,μ,λ(B)−δ≥−τ0\nabla^{2}F_{a^{\star},\mu,\lambda}(B_{\mathcal{S}})\geq\nabla^{2}\mathcal{F}_{a^{\star},\mu,\lambda}(B)-\delta\geq-\tau_{0}. Therefore we know BSB_{\mathcal{S}} must be of the form

where ∥E1∥<ε0/2\|E_{1}\|<\varepsilon_{0}/2. Also at the same time from the proof of Theorem A.4 we know BS=(PDO+E′)W⊤B_{\mathcal{S}}=(PDO+E^{\prime})W^{\top} where PDO+E′PDO+E^{\prime} has singular values close to 1. Therefore σmin(BS)≥σmin(W)/2=1/2∥M∥\sigma_{min}(B_{\mathcal{S}})\geq\sigma_{min}(W)/2=1/2\sqrt{\|M\|}.

By Lemma A.6 we know ∥B⊥∥F≤ε/δ\|B_{\perp}\|_{F}\leq\varepsilon/\delta. We apply inverse matrix perturbation (Theorem A.9) again, using B=BS+B⊥B=B_{\mathcal{S}}+B_{\perp}, therefore we know

where ∥E2∥≤O(∥B⊥∥F/σmin2(BS))≤ε0/2\|E_{2}\|\leq O(\|B_{\perp}\|_{F}/\sigma_{min}^{2}(B_{\mathcal{S}}))\leq\varepsilon_{0}/2.

Combining these two perturbations we know

and the error term E1+E2⊤E_{1}+E_{2}^{\top} has spectral norm at most ε0\varepsilon_{0}. ∎

A.4 Toolbox: Matrix Perturbation

In the proof we used the following theorem for the perturbation of matrices.

Consider the perturbation of a matrix AA: if B=A+EB=A+E,then we have

As a corollary, if ∥E∥≤σmin(A)/2\|E\|\leq\sigma_{min}(A)/2, then we have

Appendix B Recovering the Linear Layer

We will show in this section that if we have are given a δ\delta-approximation of B⋆B^{\star}, then it is easy to recover a⋆a^{\star}. The key observation here is that the correlation between the ⟨bi⋆,x⟩\langle b^{\star}_{i},x\rangle and the output yy is exactly proportional to ai⋆a^{\star}_{i}. We also note that there could be multiple other ways to recover a⋆a^{\star}, e.g., using linear regression with the σ(Bx)\sigma(Bx) as input and the yy as output. We chose this algorithm mostly because of the ease of analysis.

Given a matrix BB whose rows are δ\delta-close to B⋆B^{\star} in Euclidean distance up to permutation and sign flip with δ≤1/(2κ⋆)\delta\leq 1/(2\kappa^{\star}). Then, we can give estimates a,B′a,B^{\prime} (using e.g., Algorithm 1) such that there exists a permutation PP where ∥a−Pa⋆∥∞≤δamax⁡⋆\|a-Pa^{\star}\|_{\infty}\leq\delta a^{\star}_{\max} and B′B^{\prime} is row-wise δ\delta-close to PB⋆PB^{\star}.

To see why this simple algorithm works for recovering a⋆a^{\star}, we need the following simple claim.

The proof of this claim follows immediately from the property of Hermite polynomials. Now we are ready to prove the corollary.

Without loss of generality we assume BB is close to a sign flip of B⋆B^{\star}. The unknown permutation does not change the proof.

Since bib_{i} is δ\delta close to Bi⋆B^{\star}_{i}, let uu be the vector where uj=⟨bj⋆,bi−bi⋆⟩u_{j}=\langle b^{\star}_{j},b_{i}-b^{\star}_{i}\rangle, we have

Therefore ai′a^{\prime}_{i} is always positive, aia_{i} is in the desirable range and ∥Bi′−Bi⋆∥≤δ\|B^{\prime}_{i}-B^{\star}_{i}\|\leq\delta.

Similarly, if −bi-b_{i} is δ\delta close to Bi⋆B^{\star}_{i}, we have ai′∈−ai⋆±amax⋆δa^{\prime}_{i}\in-a^{\star}_{i}\pm a^{\star}_{max}\delta, and the conclusion still holds.

For the settings considered in Section A, the vectors bi⋆b^{\star}_{i} are not necessarily orthogonal. In this case we use the following algorithm:

Given a matrix BB whose rows have unit norm, and ∥B−SPB⋆∥≤δ\|B-SPB^{\star}\|\leq\delta for some permutation matrix PP and diagonal matrix SS with ±1\pm 1 entries on diagonals.If σmin2(B)42κ⋆m\frac{\sigma_{min}^{2}(B)}{4\sqrt{2}\kappa^{\star}\sqrt{m}}, we can give estimates a,B′a,B^{\prime} (using e.g., Algorithm 2) such that ∥a−Pa⋆∥≤22amax⋆mσmin−2(B)⋅δ\|a-Pa^{\star}\|\leq\frac{2\sqrt{2}a^{\star}_{max}\sqrt{m}}{\sigma_{min}^{-2}(B)}\cdot\delta and ∥B′−PB⋆∥≤δ\|B^{\prime}-PB^{\star}\|\leq\delta.

We again use Claim B.1: in this case we know the vector uu satisfies u=B(B⋆)⊤a⋆u=B(B^{\star})^{\top}a^{\star}. As a result, for the vector a′a^{\prime}, we have

By assumption we know B=SPB⋆+EB=SPB^{\star}+E where ∥E∥≤δ\|E\|\leq\delta. By the perturbation of matrix inverse (Theorem A.9), we know if ∥E∥≤δ≤σmin(B)/2\|E\|\leq\delta\leq\sigma_{min}(B)/2, then B†=(B⋆)†P−1S−1+E′B^{\dagger}=(B^{\star})^{\dagger}P^{-1}S^{-1}+E^{\prime} where ∥E′∥≤22σmin(B)−2δ\|E^{\prime}\|\leq 2\sqrt{2}\sigma_{min}(B)^{-2}\delta. Therefore

(Here the last equality is because for both permutation matrix PP and sign flip matrix SS, P−⊤=PP^{-\top}=P and S−⊤=SS^{-\top}=S.) Therefore, coordinates of a′a^{\prime} are permutation and sign flips of a⋆a^{\star}, up to an error term (E′)⊤a⋆(E^{\prime})^{\top}a^{\star}.

When δ≤σmin2(B)42κ⋆m\delta\leq\frac{\sigma_{min}^{2}(B)}{4\sqrt{2}\kappa^{\star}\sqrt{m}}, we know ∥(E′)⊤a⋆∥≤∥E′∥amax⋆m≤amin⋆/2\|(E^{\prime})^{\top}a^{\star}\|\leq\|E^{\prime}\|a^{\star}_{max}\sqrt{m}\leq a^{\star}_{min}/2, therefore the signs are all recovered correctly. After fixing the sign, we have ∥a−Pa∥≤∥(E′)⊤a⋆∥≤22δamax⋆mσmin−2(B)\|a-Pa\|\leq\|(E^{\prime})^{\top}a^{\star}\|\leq\frac{2\sqrt{2}\delta a^{\star}_{max}\sqrt{m}}{\sigma_{min}^{-2}(B)}, and ∥B′−PB⋆∥≤δ\|B^{\prime}-PB^{\star}\|\leq\delta. ∎

Appendix C Sample Complexity

In this section we will show that our algorithm only requires polynomially many samples to find the desired solution. Note that we did not try to optimize the polynomial dependency.

In the setting of Theorem 2.3, suppose we use NN empirical samples to approximate GG and obtain function G^\widehat{G}. There exists a fixed polynomial such that if N≥\mboxpoly(d,amax⋆/amin⋆,1/ε)N\geq\mbox{poly}(d,a^{\star}_{max}/a^{\star}_{min},1/\varepsilon), with high probability for any point BB with λmin(∇2G^(B))≥−τ0/2\lambda_{min}(\nabla^{2}\widehat{G}(B))\geq-\tau_{0}/2 and ∥∇G^(B)∥≤ε/2\|\nabla\widehat{G}(B)\|\leq\varepsilon/2, then BB can be written as B=DP+EB=DP+E where PP is a permutation matrix, DD is a diagonal matrix and ∣E∣∞≤O(ε/(σ^4amin⁡⋆))|E|_{\infty}\leq O(\varepsilon/(\hat{\sigma}_{4}a^{\star}_{\min})).

In order to bound the sample complexity, we will prove a uniform convergence result: we show that with polynomially many samples, the gradient and Hessian of G^\widehat{G} are point-wise close to the gradient and Hessian of GG, therefore any approximate local minimum of G^\widehat{G} must also be an approximate local minimum of GG.

However, there are two technical issues in showing the uniform convergence result. The first issue is that when the norm of BB is very large, both the gradient and Hessian of GG and G^\widehat{G} are very large and we cannot hope for good concentration. We deal with this issue by showing when BB has a large norm, the empirical gradient ∇G^(B)\nabla\widehat{G}(B) must also have large norm, and therefore it can never be an approximate local minimum (we do this later in Lemma C.5). The second issue is that our objective function involves high-degree polynomials over Gaussian variables x,yx,y, and is therefore not sub-Gaussian or sub-exponential. We use a standard truncation argument to show that the function does not change by too much if we restrict to the event that the Gaussian variables have bounded norm.

By standard χ2\chi^{2} concentration bounds, for large enough CC and any z>Rz>R, the probability that ∥x∥2≥z\|x\|^{2}\geq z is at most exp⁡(−10z)\exp(-10z).

The bound for the Hessian follows from the same argument. ∎

Finally, we combine this truncation with a result of [MBM16] that proves universal convergence of gradient and Hessian. For completeness here we state a version of their theorem with bounded gradient/Hessian:

The sample gradient converges to the population gradient. Namely if N≥Cplog⁡pN\geq Cp\log p we have

The sample Hessian converges to the empirical Hessian. Namely if N≥Cplog⁡pN\geq Cp\log p we have

As an immediate corollary of this theorem and Lemma C.2, we have

In the setting of Theorem 2.7, for every BB whose rows have norm at most 2, we have with high probability,

On the other hand, for all such matrices BB, by Lemma C.2 we know the gradient and Hessian of GG is close to the gradient and Hessian of GtruncG_{trunc}.

Now, the gradient and Hessian for individual samples for estimating GtruncG_{trunc} are bounded by some \mboxpoly(d,1/ε)\mbox{poly}(d,1/\varepsilon), therefore by Theorem C.3 we know the gradient and Hessian of G^\widehat{G} are close to those of GtruncG_{trunc}. When N≥\mboxpoly(d,1/ε)N\geq\mbox{poly}(d,1/\varepsilon) for a large enough polynomial, we have with high probability, for all BB with all rows ∥bi∥≤2\|b_{i}\|\leq 2,

The corollary then follows from triangle inequality. ∎

Finally we handle the case when BB has a row with large norm. We will show that in this case ∇G^(B)\nabla\widehat{G}(B) must also be large, so BB cannot be an approximate local minimum.

If bib_{i} is the row with largest norm and ∥bi∥≥2\|b_{i}\|\geq 2, then when N≥\mboxpoly(d,amax⋆/amin⋆)N\geq\mbox{poly}(d,a^{\star}_{max}/a^{\star}_{min}) for some fixed polynomial, we have with high probability ⟨∇G^(B),bi⟩≥cλ∥bi∥4\langle\nabla\widehat{G}(B),b_{i}\rangle\geq c\lambda\|b_{i}\|^{4} for some universal constant c>0c>0.

Note that the first two terms are homogeneous degree 4 polynomials over BB, and the third term does not depend on the sample. By argument similar to Corollary C.4, we know for any BB where bib_{i} has the largest row norm, with the number of samples we choose the gradient of the first two terms is camin⋆∥bi∥3ca^{\star}_{min}\|b_{i}\|^{3} close to the gradient of their expectations, where c<0.01c<0.01 is a small constant.

By Theorem 2.6, we know the expectation of the first two terms are equal to A1(B)=26∣σ^4∣⋅∑i∈[d]ai⋆∑j,k∈[d],j≠k⟨bi⋆,bj⟩2⟨bi⋆,bk⟩2A1(B)=2\sqrt{6}|\hat{\sigma}_{4}|\cdot\sum_{i\in[d]}a^{\star}_{i}\sum_{j,k\in[d],j\neq k}\langle b^{\star}_{i},b_{j}\rangle^{2}\langle b^{\star}_{i},b_{k}\rangle^{2} and A2(B)=−∣σ^4∣μ6∑i,j∈[d]ai⋆⟨bi⋆,bj⟩4A2(B)=-\frac{|\hat{\sigma}_{4}|\mu}{\sqrt{6}}\sum_{i,j\in[d]}a^{\star}_{i}\langle b^{\star}_{i},b_{j}\rangle^{4}. Here the gradient of the first term always have positive correlation with bib_{i}, so we can ignore it. For the second term, we know the gradient

Taking the inner-product with bib_{i}, and use the fact that bi⋆b^{\star}_{i} form an orthonormal basis, we know

On the other hand, when ∥bi∥≥2\|b_{i}\|\geq 2, we have for the third term

Since λ\lambda is larger than amax⋆a^{\star}_{max}, we know the negative contribution from A2A2 and the difference between the empirical version and GG are both negligible. Therefore we have ⟨∇G^(B),bi⟩≥cλ∥bi∥4\langle\nabla\widehat{G}(B),b_{i}\rangle\geq c\lambda\|b_{i}\|^{4} as desired. ∎

By Lemma C.5, any point BB with ∇G^(B)≤ε\nabla\widehat{G}(B)\leq\varepsilon must have ∥bi∥≤2\|b_{i}\|\leq 2 for all ii. Now by Corollary C.4, we know the point BB we have must satisfy

By point 3 in Theorem 2.3, this implies the guarantee on BB. ∎

In this section we give an example where the function P′P^{\prime} does have spurious local minimum.

In this example, d=4d=4, and the true vectors are the standard basis vectors bi⋆=eib^{\star}_{i}=e_{i}. We will set a1⋆=1a^{\star}_{1}=1, and a2⋆=a3⋆=a4⋆=2+δa^{\star}_{2}=a^{\star}_{3}=a^{\star}_{4}=2+\delta (where δ>0\delta>0 is an arbitrary positive constant).

The spurious local minimum that we consider is b1=b2=e1=b1⋆b_{1}=b_{2}=e_{1}=b^{\star}_{1}, b3=e2=b2⋆b_{3}=e_{2}=b^{\star}_{2}, b4=22e3+22e4b_{4}=\frac{\sqrt{2}}{2}e_{3}+\frac{\sqrt{2}}{2}e_{4}. That is,

The objective P′(B)=1P^{\prime}(B)=1 and the only non-zero term is a1⋆⟨b1⋆,b1⟩2⟨b1⋆,b2⟩2a^{\star}_{1}\langle b^{\star}_{1},b_{1}\rangle^{2}\langle b^{\star}_{1},b_{2}\rangle^{2}. In order to improve the objective locally, we need to change either b1b_{1} or b2b_{2}, otherwise the term a1⋆⟨b1⋆,b1⟩2⟨b1⋆,b2⟩2a^{\star}_{1}\langle b^{\star}_{1},b_{1}\rangle^{2}\langle b^{\star}_{1},b_{2}\rangle^{2} is still 1, and all other terms (ai⋆⟨bi⋆,bj⟩2⟨bi⋆,bk⟩2a^{\star}_{i}\langle b^{\star}_{i},b_{j}\rangle^{2}\langle b^{\star}_{i},b_{k}\rangle^{2}) are non-negative.

Assume we have a local perturbation B′B^{\prime}, where b1′=1−ε12e1+ε1u1b^{\prime}_{1}=\sqrt{1-\varepsilon_{1}^{2}}e_{1}+\varepsilon_{1}u_{1}, b2′=1−ε22e1+ε2u2b^{\prime}_{2}=\sqrt{1-\varepsilon_{2}^{2}}e_{1}+\varepsilon_{2}u_{2}. Here u1,u2u_{1},u_{2} are unit vectors that are orthogonal to e1e_{1}. Also, since this is a local perturbation, we make sure ε1,ε2≤ε\varepsilon_{1},\varepsilon_{2}\leq\varepsilon, and b3(2)≥1−εb_{3}(2)\geq 1-\varepsilon, [b4(3)]2,[b4(4)]2≥0.5−ε[b_{4}(3)]^{2},[b_{4}(4)]^{2}\geq 0.5-\varepsilon. We will show that when ε\varepsilon is small enough, the objective function P′(B′)≥1P^{\prime}(B^{\prime})\geq 1.

To see this, notice that the term a1⋆⟨b1⋆,b1⟩2⟨b1⋆,b2⟩2a^{\star}_{1}\langle b^{\star}_{1},b_{1}\rangle^{2}\langle b^{\star}_{1},b_{2}\rangle^{2} is now equal to (1−ε12)(1−ε22)(1-\varepsilon_{1}^{2})(1-\varepsilon_{2}^{2}). On the other hand, for b1b_{1}, we have

Similarly we have the same equation for b2b_{2}. Note that all the terms we analyzed are disjoint, therefore

By removing higher order terms of ε\varepsilon, it is easy to see that P′(B′)≥1P^{\prime}(B^{\prime})\geq 1 when ε\varepsilon is small enough. Therefore BB is a local minima of P′P^{\prime}.