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Wide Neural Networks of Any Architecture Are Gaussian Processes

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Re: Wide Neural Networks of Any Architecture Are Gaussian Processes

#31
post #25
post #24

Good results often seem "obvious" in ex post. So take this as a compliment. Intuitively (I have never read a paper in this field), since you are talking about wide networks, I also expected that a CLT would be used. For "dense" layers it is pretty obvious that one should be able to characterize each layer aggregation based on a CLT, and so forth. Some sort of mild independence assumption, mixing or martingales, on th…

Reading a bit more, it's really interesting that your result relies on Lemma G.4, which is a CLT based on independence or mixing (as you wish), whereas all theorems assume that anything put in is Gaussian. It "smells" like that is, or should not be necessary. The elegance of this approach, and GP in general, is that you use scale and independence and get to a specific distribution. Therefore, assuming that inputs are…

Hi @zwaps, thanks so much for your interest! My answer to @throwlaplace seems relevant to your question, so let me copy it here and comment on your specific questions afterward.

> The CLT would be a good guess at approaching this problem, and indeed it is the approach of prior works [1][2]. But in this paper, the key answer is actually law of large numbers, though CLT would feature more prominently if we allow weights to be sampled from a non-Gaussian distribution.

> The TLDR proof goes like this: via some recursive application of law of large numbers, we show that the kernel (i.e. Gram matrix) of the final layer embeddings of a set of inputs will converge to a deterministic kernel. Then because the last layer weights are Gaussian, the convergence of the kernel implies convergence of the output distribution to a Gaussian.

> 99% of the proof is on how to recursively apply the law of large numbers. This uses a technique called Gaussian conditioning, which, as its name suggests, is only applicable because the distribution of weights is Gaussian.

So, you are right that Prop G.4 can be easily generalized to non-Gaussian cases. However, this prop is only 1% of the entire proof as explained above; the 99% is on inductively handling weight matrices that are possibly reused over and over again (like in an RNN), and a priori it's not clear we can say nice things about their behavior (and this is also where previous arguments relying CLT break down).

As mentioned above, the meat of the argument is the Gaussian conditioning technique, which roughly says the following: A Gaussian random matrix A, conditioned on a set of equations of the form y = A x or y = A^T x with deterministic x's and y's, is distributed as E + Pi_1 A' Pi_2, where E is some deterministic matrix, Pi_1 and Pi_2 are some orthogonal projection matrices, and A' is an iid copy of A. See Lemma G.7. This lemma allows us to inductively reason about a weight-tied neural network by conditioning on all the computation done before a particular step in the induction. However, this technique is not available if the weights are not sampled from a Gaussian.

Now, you are right this result should apply to any reasonable non-Gaussian initialization as well, as seen from experiments. There are standard techniques for swapping out Gaussian variables with other "reasonable" variables (see the section on "Invariance Principle" in [3]), so it becomes roughly an exercise in probability theory. I think most folks who have seen such "universality" results would guess that Gaussians can be swapped with uniform variables, etc. From a machine learning perspective, perhaps this is not as interesting as showing the universality in architecture, especially as new architectures are invented like a flood, and old theoretical results become irrelevant quite quickly. More importantly, the tensor program framework gives an automatic way of converting an architecture to a GP, and I believe this is a tool many folks in the ML community will find useful.

[1] Deep Neural Networks as Gaussian Processes. https://openreview.net/forum?id=B1EA-M-0Z

[2] Gaussian Process Behaviour in Wide Deep Neural Networks. https://openreview.net/forum?id=H1-nGgWC-

[3] O'Donnell, Ryan. Analysis of boolean functions.

Re: Wide Neural Networks of Any Architecture Are Gaussian Processes

#32
post #7

Earlier quoted context omitted.

Hi, the author here. Thanks for your interest! Let me try answering some of your questions. > This sounds important and interesting but isn't wide the key word here? Yes, width is very important for this result. Given the size of modern deep neural networks, I (and most people in the deep learning theory community, by now) believe the large width regime is the appropriate regime to study neural networks. > I mean, th…

> Try throw me an architecture and watch if I can't throw you back a GP :) On the pragmatic side, would that GP train faster than the NN? In my little experimentation with GPs, I found them awfully slow. However, maybe what I tried (it was black box for me) used some brute force approach, and there are other more fine-tuned algorithms. Since you are an expert in the area, what's your take?

I think in general, "training" a GP, i.e. doing GP inference (or kernel regression) is not done for speed reasons, but rather because they are sample efficient. More concretely, the practical folk wisdom regarding GPs is that when there are not much data, then GP inference with a well-chosen kernel can give you much more bang for the buck than a neural network. However, when there are a lot of data (especially in the perceptual domains like vision and language), neural networks typically train faster and generalize better.

I wouldn't say I'm an expert at using GPs, so actual GP practitioners feel free to correct me if I'm wrong :)

Re: Wide Neural Networks of Any Architecture Are Gaussian Processes

#33
This looks interesting (have only glanced at it so far). However, the abstract and introduction are a bit misleading regarding what I did in my 1994 thesis (http://www.cs.utoronto.ca/~radford/thesis.abstract.html). My results about convergence of neural networks to Gaussian processes were not confined to shallow networks. Also, I discussed how to get network priors to converge to non-Gaussian stable processes, by using priors for weights that have infinite variance. Such non-Gaussian priors may well be more interesting than Gaussian processes, for problems where a "really sophisticated smoother" is not going to be adequate.

Re: Wide Neural Networks of Any Architecture Are Gaussian Processes

#34

This looks interesting (have only glanced at it so far). However, the abstract and introduction are a bit misleading regarding what I did in my 1994 thesis ( http://www.cs.utoronto.ca/~radford/thesis.abstract.html ). My results about convergence of neural networks to Gaussian processes were not confined to shallow networks. Also, I discussed how to get network priors to converge to non-Gaussian stable processes, by u…

Hi Radford, I'm very happy that this paper got your attention, but I'm regretful that I did not represent your research accurately!

Indeed, in your thesis, section 2.3 is on "Priors for networks with more than one hidden layer." I will fix this in the next version of the paper, and as a prerequisite, I'd like to make sure I understand your contributions correctly.

Is the following summary accurate?

In section 2.3, you explored the GP limit for more than 1 hidden layer numerically, as well as some thoughts on the decay behavior of the GP kernel associated to an MLP with step function nonlinearity. You also considered mixing Gaussian and non-Gaussian priors in different hidden layers and finally mused about the infinite depth limit of the infinitely-wide MLP.

However, I could not find a rigorous treatment of the multi-layer GP limit (in the vein of Lee et al. and Matthews et al. (2019)). Does it exist elsewhere in the paper?

Re: Wide Neural Networks of Any Architecture Are Gaussian Processes

#35
post #34

This looks interesting (have only glanced at it so far). However, the abstract and introduction are a bit misleading regarding what I did in my 1994 thesis ( http://www.cs.utoronto.ca/~radford/thesis.abstract.html ). My results about convergence of neural networks to Gaussian processes were not confined to shallow networks. Also, I discussed how to get network priors to converge to non-Gaussian stable processes, by u…

Hi Radford, I'm very happy that this paper got your attention, but I'm regretful that I did not represent your research accurately! Indeed, in your thesis, section 2.3 is on "Priors for networks with more than one hidden layer." I will fix this in the next version of the paper, and as a prerequisite, I'd like to make sure I understand your contributions correctly. Is the following summary accurate? In section 2.3, yo…

Looking now at my thesis, I agree that I don't explicitly argue theoretically for why multilayer networks will (under suitable conditions) converge to Gaussian processes. However, it follows (at some level of rigour) pretty directly from the fact (which I do note) that if a single-hidden layer has multiple outputs, the functions computed by these outputs will be independent (in the prior) as the number of hidden units goes to infinity. So if you add another hidden layer, the functions computed by the units in this layer will be independent (they're like outputs of the previous layer), and the argument for why the outputs from this layer form a GP goes through as before. I'm not sure why I didn't explicitly note this. It's implicitly assumed in my discussion of how the covariance function for networks with step function hidden units changes as you add more layers.

Re: Wide Neural Networks of Any Architecture Are Gaussian Processes

#36
post #34

Earlier quoted context omitted.

Hi Radford, I'm very happy that this paper got your attention, but I'm regretful that I did not represent your research accurately! Indeed, in your thesis, section 2.3 is on "Priors for networks with more than one hidden layer." I will fix this in the next version of the paper, and as a prerequisite, I'd like to make sure I understand your contributions correctly. Is the following summary accurate? In section 2.3, yo…

Looking now at my thesis, I agree that I don't explicitly argue theoretically for why multilayer networks will (under suitable conditions) converge to Gaussian processes. However, it follows (at some level of rigour) pretty directly from the fact (which I do note) that if a single-hidden layer has multiple outputs, the functions computed by these outputs will be independent (in the prior) as the number of hidden unit…

Right, so your argument would work if you allow the layer widths to tend to infinity sequentially (so this corresponds to finite networks where each previous layer is much bigger than the next layer). This is the argument presented by Lee et al. But note it's nontrivial to argue that this limit holds when the widths of all layers tend to infinity at the same time (arguably the more natural limit), which is one of the main contributions of Matthews et al. In my paper here, I also consider this limit where the widths tend to infinity at the same time.

In any case, I'll update the paper to reflect our discussion here. Thanks, Radford!

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