Right here’s a preferred story about momentum [1, 2, 3]: gradient descent is a person strolling down a hill. He follows the steepest path downwards; his progress is sluggish, however regular. Momentum is a heavy ball rolling down the identical hill. The added inertia acts each as a smoother and an accelerator, dampening oscillations and inflicting us to barrel via slim valleys, small humps and native minima.
This commonplace story isn’t fallacious, however it fails to clarify many essential behaviors of momentum. Actually, momentum could be understood way more exactly if we research it on the correct mannequin.
One good mannequin is the convex quadratic. This mannequin is wealthy sufficient to breed momentum’s native dynamics in actual issues, and but easy sufficient to be understood in closed kind. This stability offers us highly effective traction for understanding this algorithm.
We start with gradient descent. The algorithm has many virtues, however pace will not be considered one of them. It’s easy — when optimizing a easy perform
f
, we make a small step within the gradient
wokay+1=wokay−α∇f(wokay).
For a step-size sufficiently small, gradient descent makes a monotonic enchancment at each iteration. It at all times converges, albeit to a neighborhood minimal. And beneath a number of weak curvature situations it could even get there at an exponential charge.
However the exponential lower, although interesting in principle, can usually be infuriatingly small. Issues usually start fairly nicely — with a powerful, nearly rapid lower within the loss. However because the iterations progress, issues begin to decelerate. You begin to get a nagging feeling you’re not making as a lot progress as you ought to be. What has gone fallacious?
The issue could possibly be the optimizer’s outdated nemesis, pathological curvature. Pathological curvature is, merely put, areas of
f
which aren’t scaled correctly. The landscapes are sometimes described as valleys, trenches, canals and ravines. The iterates both soar between valleys, or strategy the optimum in small, timid steps. Progress alongside sure instructions grind to a halt. In these unlucky areas, gradient descent fumbles.
Momentum proposes the next tweak to gradient descent. We give gradient descent a short-term reminiscence:
The change is harmless, and prices nearly nothing. When
β=0
, we recuperate gradient descent. However for
β=0.99
(generally
0.999
, if issues are actually unhealthy), this seems to be the increase we want. Our iterations regain that pace and boldness it misplaced, dashing to the optimum with a renewed power.
Optimizers name this minor miracle “acceleration”.
The brand new algorithm could appear at first look like an affordable hack. A easy trick to get round gradient descent’s extra aberrant habits — a smoother for oscillations between steep canyons. However the fact, if something, is the opposite manner spherical. It’s gradient descent which is the hack. First, momentum offers as much as a quadratic speedup on many features. 1 That is no small matter — that is much like the speedup you get from the Quick Fourier Rework, Quicksort, and Grover’s Algorithm. When the universe offers you quadratic speedups, it is best to begin to concentrate.
However there’s extra. A decrease certain, courtesy of Nesterov [5], states that momentum is, in a sure very slim and technical sense, optimum. Now, this doesn’t imply it’s the greatest algorithm for all features in all circumstances. However it does fulfill some curiously lovely mathematical properties which scratch a really human itch for perfection and closure. However extra on that later. Let’s say this for now — momentum is an algorithm for the e-book.
First Steps: Gradient Descent
We start by finding out gradient descent on the only mannequin attainable which isn’t trivial — the convex quadratic,
f(w)=21wTAw−bTw,w∈Rn.
Assume
A
is symmetric and invertible, then the optimum resolution
w⋆
happens at
w⋆=A−1b.
Easy as this mannequin could also be, it’s wealthy sufficient to approximate many features (consider
A
as your favourite mannequin of curvature — the Hessian, Fisher Data Matrix [6], and so on) and captures all the important thing options of pathological curvature. And extra importantly, we are able to write a precise closed method for gradient descent on this perform.
That is the way it goes. Since
∇f(w)=Aw−b
, the iterates are
wokay+1=wokay−α(Awokay−b).
Right here’s the trick. There’s a very pure area to view gradient descent the place all the size act independently — the eigenvectors of
and there we have now it — gradient descent in closed kind.
Decomposing the Error
The above equation admits a easy interpretation. Every ingredient of
x0
is the element of the error within the preliminary guess within the
Q
-basis. There are
n
such errors, and every of those errors follows its personal, solitary path to the minimal, lowering exponentially with a compounding charge of
1−αλi
. The nearer that quantity is to
1
, the slower it converges.
For many step-sizes, the eigenvectors with largest eigenvalues converge the quickest. This triggers an explosion of progress within the first few iterations, earlier than issues decelerate because the smaller eigenvectors’ struggles are revealed. By writing the contributions of every eigenspace’s error to the loss
This total charge is minimized when the charges for
λ1
and
λn
are the identical — this mirrors our casual commentary within the earlier part that the optimum step-size causes the primary and final eigenvectors to converge on the identical charge. If we work this via we get:
determines the convergence charge of the issue. Actually, this ratio seems usually sufficient that we give it a reputation, and an emblem — the situation quantity.
situation quantity:=κ:=λ1λn
The situation quantity means many issues. It’s a measure of how near singular a matrix is. It’s a measure of how sturdy
A−1b
is to perturbations in
b
. And, on this context, the situation quantity offers us a measure of how poorly gradient descent will carry out. A ratio of
κ=1
is good, giving convergence in a single step (after all, the perform is trivial). Sadly the bigger the ratio, the slower gradient descent can be. The situation quantity is subsequently a direct measure of pathological curvature.
Instance: Polynomial Regression
The above evaluation reveals an perception: all errors usually are not made equal. Certainly, there are completely different sorts of errors,
n
to be actual, one for every of the eigenvectors of
A
. And gradient descent is healthier at correcting some sorts of errors than others. However what do the eigenvectors of
A
imply? Surprisingly, in lots of functions they admit a really concrete interpretation.
Lets see how this performs out in polynomial regression. Given 1D information,
This mannequin is similar to the outdated one. However these new options
p¯
(which I name “eigenfeatures”) and weights have the pleasing property that every coordinate acts independently of the others. Now our optimization drawback breaks down, actually, into
n
small 1D optimization issues. And every coordinate could be optimized greedily and independently, separately in any order, to provide the ultimate, world, optimum. The eigenfeatures are additionally rather more informative:
The observations within the above diagram could be justified mathematically. From a statistical perspective, we want a mannequin which is, in some sense, sturdy to noise. Our mannequin can’t presumably be significant if the slightest perturbation to the observations modifications your complete mannequin dramatically. And the eigenfeatures, the principal parts of the info, give us precisely the decomposition we have to type the options by its sensitivity to perturbations in
di
’s. Probably the most sturdy parts seem within the entrance (with the most important eigenvalues), and essentially the most delicate parts within the again (with the smallest eigenvalues).
This measure of robustness, by a fairly handy coincidence, can also be a measure of how simply an eigenspace converges. And thus, the “pathological instructions” — the eigenspaces which converge the slowest — are additionally these that are most delicate to noise! So beginning at a easy preliminary level like
0
(by a gross abuse of language, let’s consider this as a previous), we monitor the iterates until a desired degree of complexity is reached. Let’s see how this performs out in gradient descent.
This impact is harnessed with the heuristic of early stopping : by stopping the optimization early, you possibly can usually get higher generalizing outcomes. Certainly, the impact of early stopping is similar to that of extra standard strategies of regularization, resembling Tikhonov Regression. Each strategies attempt to suppress the parts of the smallest eigenvalues straight, although they make use of completely different strategies of spectral decay.2 However early stopping has a definite benefit. As soon as the step-size is chosen, there aren’t any regularization parameters to fiddle with. Certainly, in the midst of a single optimization, we have now your complete household of fashions, from underfitted to overfitted, at our disposal. This reward, it appears, doesn’t come at a value. An attractive free lunch [7] certainly.
The Dynamics of Momentum
Let’s flip our consideration again to momentum. Recall that the momentum replace is
This method is fairly sophisticated, however the takeaway right here is that it performs the very same position the person convergence charges,
1−αλi
do in gradient descent. However as a substitute of 1 geometric collection, we have now two coupled collection, which can have actual or complicated values. The convergence charge is subsequently the slowest of the 2 charges,
max{∣σ1∣,∣σ2∣}
4. By plotting this out, we see there are distinct areas of the parameter area which reveal a wealthy taxonomy of convergence habits [10]:
For what values of
α
and
β
does momentum converge? Since we want each
σ1
and
σ2
to converge, our convergence criterion is now
max{∣σ1∣,∣σ2∣}<1
. The vary of accessible step-sizes work out 5 to be
0<αλi<2+2βfor0≤β<1
We recuperate the earlier end result for gradient descent when
β=0
. However discover a direct boon we get. Momentum permits us to crank up the step-size up by an element of two earlier than diverging.
The Crucial Damping Coefficient
The true magic occurs, nevertheless, after we discover the candy spot of
α
and
β
. Allow us to attempt to first optimize over
β
.
Momentum admits an fascinating bodily interpretation when
α
is [11] small: it’s a discretization of a damped harmonic oscillator. Take into account a bodily simulation working in discrete time (like a online game).
We are able to break this equation aside to see how every element impacts the dynamics of the system. Right here we plot, for
150
iterates, the particle’s velocity (the horizontal axis) towards its place (the vertical axis), in a section diagram.
This method is greatest imagined as a weight suspended on a spring. We pull the load down by one unit, and we research the trail it follows because it returns to equilibrium. Within the analogy, the spring is the supply of our exterior pressure
λixiokay
, and equilibrium is the state when each the place
xiokay
and the pace
yiokay
are 0. The selection of
β
crucially impacts the speed of return to equilibrium.
The crucial worth of
β=(1−√αλi)2
offers us a convergence charge (in eigenspace
i
) of
1−√αλi.
A sq. root enchancment over gradient descent,
1−αλi
! Alas, this solely applies to the error within the
ith
eigenspace, with
α
mounted.
Optimum parameters
To get a world convergence charge, we should optimize over each
α
and
β
. It is a extra sophisticated affair,6 however they work out to be
Plug this into the convergence charge, and also you get
With barely a modicum of additional effort, we have now basically sq. rooted the situation quantity! These positive aspects, in precept, require express information of
λ1
and
λn
. However the formulation reveal a easy guideline. When the issue’s conditioning is poor, the optimum
α
is roughly twice that of gradient descent, and the momentum time period is near
1
. So set
β
as near
1
as you possibly can, after which discover the very best
α
which nonetheless converges. Being on the knife’s fringe of divergence, like in gradient descent, is an efficient place to be.
Whereas the loss perform of gradient descent had a swish, monotonic curve, optimization with momentum shows clear oscillations. These ripples usually are not restricted to quadratics, and happen in all types of features in observe. They don’t seem to be trigger for alarm, however are a sign that further tuning of the hyperparameters is required.
Instance: The Colorization Drawback
Let’s take a look at how momentum accelerates convergence with a concrete instance. On a grid of pixels let
G
be the graph with vertices as pixels,
E
be the set of edges connecting every pixel to its 4 neighboring pixels, and
D
be a small set of some distinguished vertices. Take into account the issue of minimizing
The optimum resolution to this drawback is a vector of all
1
’s 7. An inspection of the gradient iteration reveals why we take a very long time to get there. The gradient step, for every element, is a few type of weighted common of the present worth and its neighbors:
This type of native averaging is efficient at smoothing out native variations within the pixels, however poor at making the most of world construction. The updates are akin to a drop of ink, diffusing via water. Motion in direction of equilibrium is made solely via native corrections and so, left undisturbed, its march in direction of the answer is sluggish and laborious. Happily, momentum speeds issues up considerably.
In vectorized kind, the colorization drawback is
The Laplacian matrix,
LG
8, which dominates the habits of the optimization drawback, is a invaluable bridge between linear algebra and graph principle. It is a wealthy discipline of research, however one truth is pertinent to our dialogue right here. The conditioning of
LG
, right here outlined because the ratio of the second eigenvector to the final (the primary eigenvalue is at all times 0, with eigenvector equal to the matrix of all 1′s), is straight linked to the connectivity of the graph.
These observations carry via to the colorization drawback, and the instinct behind it must be clear. Properly linked graphs enable speedy diffusion of knowledge via the perimeters, whereas graphs with poor connectivity don’t. And this precept, taken to the intense, furnishes a category of features so exhausting to optimize they reveal the boundaries of first order optimization.
The Limits of Descent
Let’s take a step again. We now have, with a intelligent trick, improved the convergence of gradient descent by a quadratic issue with the introduction of a single auxiliary sequence. However is that this the very best we are able to do? May we enhance convergence much more with two sequences? May one maybe select the
α
’s and
β
’s intelligently and adaptively? It’s tempting to experience this wave of optimism – to the dice root and past!
Sadly, whereas enhancements to the momentum algorithm do exist, all of them run right into a sure, crucial, nearly inescapable decrease certain.
Adventures in Algorithmic Area
To know the boundaries of what we are able to do, we should first formally outline the algorithmic area through which we’re looking. Right here’s one attainable definition. The commentary we’ll make is that each gradient descent and momentum could be “unrolled”. Certainly, since
Actually, all method of first order algorithms, together with the Conjugate Gradient algorithm, AdaMax, Averaged Gradient and extra, could be written (although not fairly so neatly) on this unrolled kind. Due to this fact the category of algorithms for which
wokay+1=w0+i∑okayγiokay∇f(wi) for some γiokay
accommodates momentum, gradient descent and an entire bunch of different algorithms you may dream up. That is what’s assumed in Assumption 2.1.4 [5] of Nesterov. However let’s push this even additional, and broaden this class to permit completely different step-sizes for various instructions.
wokay+1=w0+i∑okayΓiokay∇f(wi) for some diagonal matrix Γiokay.
This class of strategies covers many of the common algorithms for coaching neural networks, together with ADAM and AdaGrad. We will discuss with this class of strategies as “Linear First Order Strategies”, and we’ll present a single perform all these strategies in the end fail on.
The Resisting Oracle
Earlier, after we talked concerning the colorizer drawback, we noticed that wiry graphs trigger unhealthy conditioning in our optimization drawback. Taking this to its excessive, we are able to take a look at a graph consisting of a single path — a perform so badly conditioned that Nesterov referred to as a variant of it “the worst perform on this planet”. The perform follows the identical construction because the colorizer drawback, and we will name this the Convex Rosenbrock,
The optimum resolution of this drawback is
wi⋆=(√κ+1√κ−1)i
and the situation variety of the issue
fn
approaches
κ
as
n
goes to infinity. Now observe the habits of the momentum algorithm on this perform, ranging from
w0=0
.
The observations made within the above diagram are true for any Linear First Order algorithm. Allow us to show this. First observe that every element of the gradient relies upon solely on the values straight earlier than and after it:
Due to this fact the actual fact we begin at 0 ensures that that element should stay stoically there until a component both earlier than or after it turns nonzero. And subsequently, by induction, for any linear first order algorithm,
. And the hole subsequently closes; the convergence charge that momentum guarantees matches the very best any linear first order algorithm can do. And we arrive on the disappointing conclusion that on this drawback, we can’t do higher.
Like many such decrease bounds, this end result should not be taken actually, however spiritually. It, maybe, offers a way of closure and finality to our investigation. However this isn’t the ultimate phrase on first order optimization. This decrease certain doesn’t preclude the chance, for instance, of reformulating the issue to vary the situation quantity itself! There may be nonetheless a lot room for speedups, when you perceive the correct locations to look.
Momentum with Stochastic Gradients
There’s a last level price addressing. All of the dialogue above assumes entry to the true gradient — a luxurious seldom afforded in trendy machine studying. Computing the precise gradient requires a full move over all the info, the price of which could be prohibitively costly. As an alternative, randomized approximations of the gradient, like minibatch sampling, are sometimes used as a plug-in alternative of
∇f(w)
. We are able to write the approximation in two components,
It’s useful to think about our approximate gradient because the injection of a particular sort of noise into our iteration. And utilizing the equipment developed within the earlier sections, we are able to take care of this further time period straight. On a quadratic, the error time period cleaves cleanly right into a separate time period, the place 10
The error time period,
ϵokay
, with its dependence on the
wokay
, is a reasonably bushy object. Following [10], we mannequin this as impartial 0-mean Gaussian noise. On this simplified mannequin, the target additionally breaks into two separable parts, a sum of a deterministic error and a stochastic error
11, visualized right here.
Notice that there are a set of unlucky tradeoffs which appear to pit the 2 parts of error towards one another. Reducing the step-size, for instance, decreases the stochastic error, but in addition slows down the speed of convergence. And rising momentum, opposite to common perception, causes the errors to compound. Regardless of these undesirable properties, stochastic gradient descent with momentum has nonetheless been proven to have aggressive efficiency on neural networks. As [1] has noticed, the transient section appears to matter greater than the fine-tuning section in machine studying. And in reality, it has been lately urged [12] that this noise is an efficient factor — it acts as a implicit regularizer, which, like early stopping, prevents overfitting within the fine-tuning section of optimization.
Onwards and Downwards
The research of acceleration is seeing a small revival throughout the optimization neighborhood. If the concepts on this article excite you, it’s possible you’ll want to learn [13], which totally explores the thought of momentum because the discretization of a sure differential equation. However different, much less bodily, interpretations exist. There may be an algebraic interpretation of momentum by way of approximating polynomials [3, 14]. Geometric interpretations are rising [15, 16], connecting momentum to older strategies, just like the Ellipsoid methodology. And eventually, there are interpretations relating momentum to duality [17], maybe offering a clue as learn how to speed up second order strategies and Quasi Newton (for a primary step, see [18]). However just like the proverbial blind males feeling an elephant, momentum looks like one thing greater than the sum of its components. Someday, hopefully quickly, the numerous views will converge right into a satisfying complete.
Acknowledgments
I’m deeply indebted to the editorial contributions of Shan Carter and Chris Olah, with out which this text could be significantly impoverished. Shan Carter offered full redesigns of a lot of my unique interactive widgets, a visible coherence for all of the figures, and invaluable optimizations to the web page’s efficiency. Chris Olah offered impeccable editorial suggestions in any respect ranges of element and abstraction – from the construction of the content material, to the alignment of equations.
I’m additionally grateful to Michael Nielsen for offering the title of this text, which actually tied the article collectively. Marcos Ginestra offered editorial enter for the earliest drafts of this text, and religious encouragement after I wanted it essentially the most. And my gratitude extends to my reviewers, Matt Hoffman and Nameless Reviewer B for his or her astute observations and criticism. I want to thank Reviewer B, specifically, for stating two non-trivial errors within the unique manuscript (dialogue here). The contour plotting library for the hero visualization is the joint work of Ben Frederickson, Jeff Heer and Mike Bostock.
Many due to the quite a few pull requests and points filed on github. Thanks specifically, to Osemwaro Pedro for recognizing an off by one error in one of many equations. And likewise to Dan Schmidt who did an enhancing move over the entire undertaking, correcting quite a few typographical and grammatical errors.
It’s attainable, nevertheless, to assemble very particular counterexamples the place momentum doesn’t converge, even on convex features. See [4] for a counterexample.
In Tikhonov Regression we add a quadratic penalty to the regression, minimizing
right here denotes the magnitude of the utmost eigenvalue), and happens when the roots of the attribute polynomial are repeated for the matrices similar to the extremal eigenvalues.
The above optimization drawback is bounded from beneath by
0
, and vector of all
1
’s obtain this.
This may be written explicitly as
[LG]ij=⎩⎪⎨⎪⎧diploma of vertex i−10i=ji≠j,(i,j) or (j,i)∈Ein any other case
We use the infinity norm to measure our error, comparable outcomes could be derived for the 1 and a couple of norms.
and the fourth uses the fact they are uncorrelated.
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