First-order methods almost always avoid saddle points: the case of vanishing step-sizes
Ioannis Panageas, Georgios Piliouras, Xiao Wang
Introduction
Non-convex optimization has been studied extensively the last years and has been one of the main focuses of Machine Learning community. The reason behind the interest of ML community is that in many applications of interest, one has to deal with the optimization of a non-convex landscape. One of the key obstacles of non-convex optimization is the saddle points (which can outnumber the local minima ) and avoiding them is a fundamental problem .
Recent progress has shown that under mild regularity assumptions on the objective function, first-order methods such as gradient descent can provably avoid the so-called strict saddle pointsThese are saddle points where the Hessian of the objective admits at least one direction of negative curvature. Such property has been shown to hold in a wide range of objective functions, see and references therein..
In particular, a unified theoretical framework is established in to analyze the asymptotic behavior of first-order optimization algorithms such as gradient descent, mirror descent, proximal point, coordinate descent and manifold descent. It is shown that under random initialization, the aforementioned methods avoid strict saddle points almost surely. The proof exploits a powerful theorem from the dynamical systems literature, the so-called Stable-manifold theorem (see supplementary material for a statement of this theorem). For example, given a (twice continuously differentiable function) with -Lipschitz gradient, gradient descent method
avoids strict saddle points almost surely, under the assumption that the stepsize is constant and . The crux of the proof in is the use Stable-manifold theorem for the time-homogeneousThis means that does not depend on time. dynamical system . Stable-manifold theorem implies that the dynamical system avoids its unstable fixed points and with the fact that the unstable fixed points of the dynamical system coincide with the strict saddles of the claim follows.
In many applications/algorithms however the stepsize is adaptive or vanishing/diminishing (meaning e.g., or ). Such applications include stochastic gradient descent (see for analysis of SGD for convex functions), urn models and stochastic approximation , gradient descent , online learning algorithms like multiplicative weights update (which is an instantiation of Mirror Descent with entropy regularizer). It is also important to note that the choice of the stepsize is really crucial in the aforementioned applications as changing the stepsize can change the convergence properties (transition from convergence to oscillations/chaos ) and/or the rate of convergence .
The proof in does not carry over when the stepsize depends on time step, because the Stable-manifold theorem is not applicable. Yet it remains an open question whether the results of hold for vanishing step-sizes and the authors stated in as an open question. This work resolves this question in the affirmative. Our main result is stated below informally.
Gradient Descent, Mirror Descent, Proximal point and Manifold descent, with vanishing step-size of order avoid the set of strict saddle points (isolated and non-isolated) almost surely under random initialization.
The paper is organized as follows: In Section 2 we give important definitions for the rest of the paper, in Section 3 we provide intuition and technical overview of our results, in Section 4 we show a new Stable-manifold theorem that is applicable to a class of time non-homogeneous dynamical systems and finally in Section 5 we show how this new manifold theorem can be applied to Gradient descent, Mirror Descent, Proximal point and Manifold Descent.
Notation.
Preliminaries
In this section we provide all necessary definitions that will be needed for the rest of the paper.
We call a dynamical system as time homogeneous since does not on step . Furthermore, we call a dynamical system time non-homogeneous as depends on .
A point is a critical point of if .
A critical point is a local minimum if there is a neighborhood around such that for all , and a local maximum if .
A critical point is a saddle point if for all neighborhoods around , there are such that .
A critical point is isolated if there is a neighborhood around , and is the only critical point in .
This paper will focus on saddle points that have directions of strictly negative curvature, that is the concept of strict saddle.
A critical point of is a strict saddle if (minimum eigenvalue of the Hessian computed at the critical point is negative).
Let be the set of strict saddle points of function and we follow the Definition 2 of for the global stable set of .
Given a dynamical system (e.g., gradient descent )
the global stable set of is the set of initial conditions where the sequence converges to a strict saddle. This is defined as:
Moreover, is called a fixed point of the system (1) if for all natural numbers .
Intuition and Overview
In this section we will illustrate why gradient descent and related first-order methods do not converge to saddle points, even for time varying/vanishing step-sizes of order . Consider the case of a quadratic, where is a , non-singular, diagonal matrix with at least a negative eigenvalue. Let be the positive eigenvalues of (the first ) and be the non-positive ones. It is clear that is the unique critical point of function and the Hessian is everywhere (and hence at the critical point). Moreover, it is clear that is a strict saddle point (not a local minimum).
Gradient descent with step-size (it holds that for all and ) has the following form:
Assuming that is the starting point, then it holds that . We conclude that
We examine when it is true that . It is clear that and has the same convergence properties as
For , the term (3) converges to zero if and only if which is true if is . Moreover, for it holds that the term (3) remains a constant (independently of the choice of stepsize ) and for it holds that the term (3) diverges for to be . Therefore, for being we conclude that whenever the initial point satisfies (-th coordinate of ) for .
1italic-ϵO\left(\frac{1}{k^{1+\epsilon}}\right)). In the case is a sequence of stepsizes that converges to zero with a rate for any (example etc), then it holds that converges and hence in our example above we conclude that exists, i.e., converges but not necessarily to a critical point.
The challenging part of proving our main result is the lack of generic theory for time non-homogeneous dynamical systems, either for continuous or discrete time. Moreover, as far as gradient descent, mirror descent, etc are concerned, the corresponding dynamical system that needs to be analyzed is more complicated when the objective function is not quadratic and the analysis of previous subsection does not apply.
Suppose we are given a function that is , and is a saddle point of . The Taylor expansion of the gradient descent in a neighborhood of is as follows:
where and is of order around for all naturals .
Due to the error term , the approach for quadratic functions does not imply the existence of the stable manifold. Inspired by the proof of Stable-manifold theorem for time homogeneous ODEs, we prove a Stable-manifold theorem for discrete time non-homogeneous dynamical system (4). In words, we prove the existence of a manifold that is not of full dimension (it has the same dimension as , where denotes the subspace that is spanned by the eigenvectors with corresponding positive eigenvalues of matrix ).
To show this, we derive the expression of (2) for the general function to be:
Stable Manifold Theorem for Time Non-homogeneous Dynamical Systems
We start this section by showing the main technical result of this paper. This is a new stable manifold theorem that works for time non-homogeneous dynamical systems and is used to prove our main result (Theorem 1.1) for Gradient Descent, Mirror Descent, Proximal Point and Manifold Descent. The proof of this theorem exploits the structure of the aforementioned first-order methods as dynamical systems.
Let be a real diagonal matrix with at least one negative eigenvalue, i.e. with and assume . Let be a continuously differentiable function such that and for each , there exists a neighborhood of in which it holds
We can generalize Theorem 4.1 to the case where matrix is diagonalizable and for any fixed point (instead of , using a shifting argument). The statement is given below.
real diagonalizable with at least one negative eigenvalue;
Since is diagonalizable, there exists invertible matrix such that , hence where (i.e., is a diagonal matrix with entries ). Consider the map . induces a new dynamical system in terms of as follows:
Multiplying by from the left on both sides, we have
and the inverse transformation is given by
Applications
In this section, we apply Theorem 4.1 (or its corollary 4.2) to the four of the most commonly used first-order methods and we prove that each one of them avoids strict saddle points even with vanishing stepsize of order .
is a time non-homogeneous dynamical system.
We need to verify that the Taylor expansion of at satisfies the conditions of Corollary 4.2. Condition 1 is obvious since the Hessian is diagonalizable and has at least one negative eigenvalue. It suffice to verify condition 2. Consider the Taylor expansion of in a neighborhood of :
and then the differential of with respect to is
From the Fundamental Theorem of Calculus and chain rule for multivariable functions, we have
the verification completes. By Corollary 4.2 and Corollary 4.3, we conclude that the stable set of strict saddle points has Lebesgue measure zero. ∎
2 Mirror Descent
where .
We say that is a mirror map if it satisfies the following properties.
diverges on the relative boundary of , that is .
The fact that satisfies the condition 1 of Corollary 4.2 follows from the proof of Proposition 10, , i.e. is similar to a symmetric linear operator (so diagonalizable) with at least one negative eigenvalue. Next, we verify that satisfies the condition 2 of Corollary 4.2. From the Taylor expansion, we have
By the continuity of and , the same argument as the proof of Theorem 5.1 implies that the condition 2 of Corollary 4.2 is satisfied. Combing Corollary 4.2 and Corollary 4.3, we conclude that the stable set of saddle points has Lebesgue measure zero. ∎
3 Proximal Point
The proximal point algorithm is given by the iteration
Different from the other First-order methods, the results is not a direct consequence of Corollary 4.3, but instead, we need to apply part of the proof of Theorem 4.1. It is still necessary to verify that the Taylor expansion of at satisfies condition 1 and 2 of Corollary 4.2. From the proof of Proposition 3, , . By implicit differentiation, , and
At saddle point , that is diagonalizable since is diagonalizable. Suppose under the matrix , that is diagonal. Then
where are the eigenvalues of . Notice that , the stable-unstable decomposition in the proof of Corollary 4.1 holds. Furthermore, since , is also of . To see this, we can assume , and then or , and thus , implying that . So the proof for Lemma C.1 and Lemma C.2 holds for the existence of stable manifold of proximal point algorithm if condition 2 of Corollary 4.2 is satisfied. To verify this, we consider the Taylor expansion of at has the form of
Since is of , and are continuous, and then follows from the same argument as the proof of Theorem 5.1. So the verification completes and by Corollary 4.2 and Corollary 4.3, we conclude that the stable set of strict saddle points is of Lebesgue measure zero. ∎
4 Manifold Gradient Descent
According to the proof of Proposition 8, , for ,
Let , the Taylor expansion in the tangent space can be written as
Using equation 4, , , which is exactly the Riemannian Hessian, and thus it is diagonalizable. So this verifies the condition 1 of Corollary 4.2. Furthermore, the Taylor expansion gives
The continuity of implies that for each , there exist neighborhood of , such that . Apply the argument in the proof of Theorem 5.1 (Fundamental Theorem of Calculus and Cauchy-Schwarz inequality), we can conclude that condition 2 of Corollary 4.2 is satisfied. then combing with Corollary 4.3, we have that the stable set of strict saddle points has measure (induced by metric ) zero. ∎
Let , then , and . To show that is unstable, consider the differential
Since at , , i.e. for all , we have
Recall that , and as it is shown in , by the similar transformation under , we have
that is a symmetric matrix, so it is diagonalizable. And thus, is diagonalizable and has the same eigenvalue with , meaning that it has negative eigenvalues. So the Riemmanian Hessian at as at least one negative eigenvalue. The Taylor expansion of at is
By the continuity of , the same argument as the verification of condition 2 in the proof of Theorem 5.1 implies that satisfies the condition 2 of Corollary 4.2. Combining with Corollary 4.3, we conclude that the stable set of strict saddle points has measure (induced by metric ) zero. ∎
Conclusion
In this paper, we generalize the results of for the case of vanishing stepsizes. We showed that if the stepsize converges to zero with order , then gradient descent, mirror descent, proximal point and manifold descent still avoid strict saddles. We believe that this is an important result that was missing from the literature since in practice vanishing or adaptive stepsizes are commonly used. Our main result boils down to the proof of a Stable-manifold theorem 4.1 that works for time non-homogeneous dynamical systems and might be of independent interest. We leave as an open question the case of Block Coordinate Descent (as it also appears in ).
References
Appendix A Statement of theorems used and for completion
Let be a complete metric space, then each contraction map has unique fixed point.
Let be a fixed point for the local diffeomorphism . Suppose that , where is the span of the eigenvectors corresponding to eigenvalues of magnitude less than or equal to one of , and is the span of the eigenvectors corresponding to eigenvalues of magnitude greater than one of Jacobian of function .. Then there exists a embedded disk of dimension that is tangent to at called the local stable center manifold. Moreover, there exists a neighborhood of , such that , and .
Appendix B Lyapunov-Perron Method
whose linear approximation at is
By a change of coordinate system, is assumed to be decomposed to stable-unstable blocks respectively. Consider the operator defined as follows:
where is the initial point, and are integral operators from the block decomposition of . The stable manifold is the fixed point of following from the Banach fixed point theorem.
Appendix C Proof of Theorem 4.1
Denote for , and if . Then the dynamical system can be written as
Since is diagonal, the matrix has the form of
where and are diagonal as well and corresponding to stable and unstable subspaces of at . Using the same notation of denoting , we denote
Let be a vector, we denote the stable component of and the unstable component of . Then the solution (43) can be written in terms of stable and unstable components as
If as , then as . So we let , the following limit must holds:
and then by taking limit as ,
where denotes the inverse of . So the initial condition , if written as a column vector, has the form of
Written as a column vecto, the solution of the dynamical system is of the form of
Plugging the equation (44) back to the above expression, we have
Use spectrum norm for matrices, we have
Denote the least negative eigenvalue, then the spectrum norm of is
Since the sequence is chosen to be small, we have
Using the inequality , we have
Since by assumption, and , so is positive and bounded, i.e. . And then the following inequalities hold:
Multiplying by the negative number , we have
Combining with the inequality 82, we obtain
By definition of definite integral, we notice that
which implies that converges, so does the series 89. Since the incomplete Gamma function has the property
let and so that , we have that
as . This implies that is bounded as . ∎
Since is diagonal, denote the least positive eigenvalue of , by definition of , we have that
Consider the difference between and , we have
If , then .
If , or equivalently , then , and increases until .
So decreases or increases to (meaning that is bounded), or oscillates around . Suppose that and , we have that
when is large so that . Then in conclusion, is bounded, and the proof completes. ∎
Denote and the stable and unstable component of respectively. We prove and separately. 1. : According to the definition of in 57,
Since as , it is enough to show that
as . From the Lipschitz condition on , we have that
From the proof of Lemma C.2, we know that is bounded, and thus as . Similar to proof of C.2, we have the following observation:
If , then , or ;
If , then , or ;
If , then .
decreasing but ,
oscillating around .
If is of case 1, then exists. Suppose that this limit is positive, but since we have and
implying that . So we conclude that , contradicting to the fact that exists. So the must be if is of case 1. If is of case 2, then immediately . Suppose that . Since decreases whenever and increases whenever , we can find a subsequence , with , converging to as . But this is impossible since and then as , which means is positive, contradicting to the fact that . And thus, we have , meaning that . So we conclude that either in case 1 or 2, the limit , which completes the proof of part 1. 2. : According to the equation 57,
And from the Lipschitz condition of on , we have that
Since converges to 0 as , as . And this completes the proof of part 2. ∎
There exists a real number such that the operator given by equation 57
From Lemma C.1 and Lemma C.2, we know that in equation (78),
Since is on the stable subspace and whose norm is calculated by
Then we can choose small positive so that
and by the choice of , we know that . Let be the radius corresponding to so that the Lipschitz condition is satisfied. Combining 78, 103 and 104, we have that
Since above is taken arbitrarily, we conclude that
If we consider the sequence as a sequence of functions with the initial condition as the variable, the general term is written as , then the equation (106) is written as
This means that if the some initial condition goes to 0 through the discrete time process , its stable and unstable component must satisfy following relation:
and the equation defines an implicit function by the uniqueness of Banach fixed point. Next we will show that is differentiable with respect to . Since it is enough to show the function is differentiable with respect to . And it is enough to show that each , if considered as a function of initial condition , is differentiable with respect to .
The solution is of with respect to provided is of .
Proof. It is equivalent to show that , , where is the dimension of stable vector space, exist and are continuous for small . Let and be the projection operators to the stable and unstable subspaces respectively, then the solution (with initial condition ) of the dynamical system can be written as
Let be a scalar and be the th standard basis. Denote
Plugging above identity to 107, we can compute the difference quotient
Since for the solution , as , and , we have that
Given , can be chosen small that by the mean value theorem and the continuity of , we have
where is a point on the line segment joining and . Since
so is bounded, denoted as
And then . Define the operator as
Notice that the part of infinite sum converges to 0 as , one can choose large enough so that the norm of the infinite sum to be small, and then we have for any small , the satisfies
Where is the bound from that as . One choose neighborhood small enough so that and then we have
Since as due to , and as by assumption that is bounded away from . But this contradicts to the assumption is bounded in . The proof completes. ∎