Computing Neural Network Gradients
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The Matrix Calculus You Need for Deep Learning
The Matrix Calculus You Need For Deep Learning Terence Parr and Jeremy Howard July 3, 2018 (We teach in University of San Francisco's MS in Data Science program and have other nefarious projects underway. You might know Terence as the creator of the ANTLR parser generator. For more material, see Jeremy's fast.ai courses and University of San Francisco's Data Institute in- person version of the deep learning course.) HTML version (The PDF and HTML were generated from markup using bookish) Abstract This paper is an attempt to explain all the matrix calculus you need in order to understand the training of deep neural networks. We assume no math knowledge beyond what you learned in calculus 1, and provide links to help you refresh the necessary math where needed. Note that you do not need to understand this material before you start learning to train and use deep learning in practice; rather, this material is for those who are already familiar with the basics of neural networks, and wish to deepen their understanding of the underlying math. Don't worry if you get stuck at some point along the way|just go back and reread the previous section, and try writing down and working through some examples. And if you're still stuck, we're happy to answer your questions in the Theory category at forums.fast.ai. Note: There is a reference section at the end of the paper summarizing all the key matrix calculus rules and terminology discussed here. arXiv:1802.01528v3 [cs.LG] 2 Jul 2018 1 Contents 1 Introduction 3 2 Review: Scalar derivative rules4 3 Introduction to vector calculus and partial derivatives5 4 Matrix calculus 6 4.1 Generalization of the Jacobian . -
Anti-Chain Rule Name
Anti-Chain Rule Name: The most fundamental rule for computing derivatives in calculus is the Chain Rule, from which all other differentiation rules are derived. In words, the Chain Rule states that, to differentiate f(g(x)), differentiate the outside function f and multiply by the derivative of the inside function g, so that d f(g(x)) = f 0(g(x)) · g0(x): dx The Chain Rule makes computation of nearly all derivatives fairly easy. It is tempting to think that there should be an Anti-Chain Rule that makes antidiffer- entiation as easy as the Chain Rule made differentiation. Such a rule would just reverse the process, so instead of differentiating f and multiplying by g0, we would antidifferentiate f and divide by g0. In symbols, Z F (g(x)) f(g(x)) dx = + C: g0(x) Unfortunately, the Anti-Chain Rule does not exist because the formula above is not Z always true. For example, consider (x2 + 1)2 dx. We can compute this integral (correctly) by expanding and applying the power rule: Z Z (x2 + 1)2 dx = x4 + 2x2 + 1 dx x5 2x3 = + + x + C 5 3 However, we could also think about our integrand above as f(g(x)) with f(x) = x2 and g(x) = x2 + 1. Then we have F (x) = x3=3 and g0(x) = 2x, so the Anti-Chain Rule would predict that Z F (g(x)) (x2 + 1)2 dx = + C g0(x) (x2 + 1)3 = + C 3 · 2x x6 + 3x4 + 3x2 + 1 = + C 6x x5 x3 x 1 = + + + + C 6 2 2 6x Since these answers are different, we conclude that the Anti-Chain Rule has failed us. -
A Brief Tour of Vector Calculus
A BRIEF TOUR OF VECTOR CALCULUS A. HAVENS Contents 0 Prelude ii 1 Directional Derivatives, the Gradient and the Del Operator 1 1.1 Conceptual Review: Directional Derivatives and the Gradient........... 1 1.2 The Gradient as a Vector Field............................ 5 1.3 The Gradient Flow and Critical Points ....................... 10 1.4 The Del Operator and the Gradient in Other Coordinates*............ 17 1.5 Problems........................................ 21 2 Vector Fields in Low Dimensions 26 2 3 2.1 General Vector Fields in Domains of R and R . 26 2.2 Flows and Integral Curves .............................. 31 2.3 Conservative Vector Fields and Potentials...................... 32 2.4 Vector Fields from Frames*.............................. 37 2.5 Divergence, Curl, Jacobians, and the Laplacian................... 41 2.6 Parametrized Surfaces and Coordinate Vector Fields*............... 48 2.7 Tangent Vectors, Normal Vectors, and Orientations*................ 52 2.8 Problems........................................ 58 3 Line Integrals 66 3.1 Defining Scalar Line Integrals............................. 66 3.2 Line Integrals in Vector Fields ............................ 75 3.3 Work in a Force Field................................. 78 3.4 The Fundamental Theorem of Line Integrals .................... 79 3.5 Motion in Conservative Force Fields Conserves Energy .............. 81 3.6 Path Independence and Corollaries of the Fundamental Theorem......... 82 3.7 Green's Theorem.................................... 84 3.8 Problems........................................ 89 4 Surface Integrals, Flux, and Fundamental Theorems 93 4.1 Surface Integrals of Scalar Fields........................... 93 4.2 Flux........................................... 96 4.3 The Gradient, Divergence, and Curl Operators Via Limits* . 103 4.4 The Stokes-Kelvin Theorem..............................108 4.5 The Divergence Theorem ...............................112 4.6 Problems........................................114 List of Figures 117 i 11/14/19 Multivariate Calculus: Vector Calculus Havens 0. -
9.2. Undoing the Chain Rule
< Previous Section Home Next Section > 9.2. Undoing the Chain Rule This chapter focuses on finding accumulation functions in closed form when we know its rate of change function. We’ve seen that 1) an accumulation function in closed form is advantageous for quickly and easily generating many values of the accumulating quantity, and 2) the key to finding accumulation functions in closed form is the Fundamental Theorem of Calculus. The FTC says that an accumulation function is the antiderivative of the given rate of change function (because rate of change is the derivative of accumulation). In Chapter 6, we developed many derivative rules for quickly finding closed form rate of change functions from closed form accumulation functions. We also made a connection between the form of a rate of change function and the form of the accumulation function from which it was derived. Rather than inventing a whole new set of techniques for finding antiderivatives, our mindset as much as possible will be to use our derivatives rules in reverse to find antiderivatives. We worked hard to develop the derivative rules, so let’s keep using them to find antiderivatives! Thus, whenever you have a rate of change function f and are charged with finding its antiderivative, you should frame the task with the question “What function has f as its derivative?” For simple rate of change functions, this is easy, as long as you know your derivative rules well enough to apply them in reverse. For example, given a rate of change function …. … 2x, what function has 2x as its derivative? i.e. -
Policy Gradient
Lecture 7: Policy Gradient Lecture 7: Policy Gradient David Silver Lecture 7: Policy Gradient Outline 1 Introduction 2 Finite Difference Policy Gradient 3 Monte-Carlo Policy Gradient 4 Actor-Critic Policy Gradient Lecture 7: Policy Gradient Introduction Policy-Based Reinforcement Learning In the last lecture we approximated the value or action-value function using parameters θ, V (s) V π(s) θ ≈ Q (s; a) Qπ(s; a) θ ≈ A policy was generated directly from the value function e.g. using -greedy In this lecture we will directly parametrise the policy πθ(s; a) = P [a s; θ] j We will focus again on model-free reinforcement learning Lecture 7: Policy Gradient Introduction Value-Based and Policy-Based RL Value Based Learnt Value Function Implicit policy Value Function Policy (e.g. -greedy) Policy Based Value-Based Actor Policy-Based No Value Function Critic Learnt Policy Actor-Critic Learnt Value Function Learnt Policy Lecture 7: Policy Gradient Introduction Advantages of Policy-Based RL Advantages: Better convergence properties Effective in high-dimensional or continuous action spaces Can learn stochastic policies Disadvantages: Typically converge to a local rather than global optimum Evaluating a policy is typically inefficient and high variance Lecture 7: Policy Gradient Introduction Rock-Paper-Scissors Example Example: Rock-Paper-Scissors Two-player game of rock-paper-scissors Scissors beats paper Rock beats scissors Paper beats rock Consider policies for iterated rock-paper-scissors A deterministic policy is easily exploited A uniform random policy -
Calculus Terminology
AP Calculus BC Calculus Terminology Absolute Convergence Asymptote Continued Sum Absolute Maximum Average Rate of Change Continuous Function Absolute Minimum Average Value of a Function Continuously Differentiable Function Absolutely Convergent Axis of Rotation Converge Acceleration Boundary Value Problem Converge Absolutely Alternating Series Bounded Function Converge Conditionally Alternating Series Remainder Bounded Sequence Convergence Tests Alternating Series Test Bounds of Integration Convergent Sequence Analytic Methods Calculus Convergent Series Annulus Cartesian Form Critical Number Antiderivative of a Function Cavalieri’s Principle Critical Point Approximation by Differentials Center of Mass Formula Critical Value Arc Length of a Curve Centroid Curly d Area below a Curve Chain Rule Curve Area between Curves Comparison Test Curve Sketching Area of an Ellipse Concave Cusp Area of a Parabolic Segment Concave Down Cylindrical Shell Method Area under a Curve Concave Up Decreasing Function Area Using Parametric Equations Conditional Convergence Definite Integral Area Using Polar Coordinates Constant Term Definite Integral Rules Degenerate Divergent Series Function Operations Del Operator e Fundamental Theorem of Calculus Deleted Neighborhood Ellipsoid GLB Derivative End Behavior Global Maximum Derivative of a Power Series Essential Discontinuity Global Minimum Derivative Rules Explicit Differentiation Golden Spiral Difference Quotient Explicit Function Graphic Methods Differentiable Exponential Decay Greatest Lower Bound Differential -
High Order Gradient, Curl and Divergence Conforming Spaces, with an Application to NURBS-Based Isogeometric Analysis
High order gradient, curl and divergence conforming spaces, with an application to compatible NURBS-based IsoGeometric Analysis R.R. Hiemstraa, R.H.M. Huijsmansa, M.I.Gerritsmab aDepartment of Marine Technology, Mekelweg 2, 2628CD Delft bDepartment of Aerospace Technology, Kluyverweg 2, 2629HT Delft Abstract Conservation laws, in for example, electromagnetism, solid and fluid mechanics, allow an exact discrete representation in terms of line, surface and volume integrals. We develop high order interpolants, from any basis that is a partition of unity, that satisfy these integral relations exactly, at cell level. The resulting gradient, curl and divergence conforming spaces have the propertythat the conservationlaws become completely independent of the basis functions. This means that the conservation laws are exactly satisfied even on curved meshes. As an example, we develop high ordergradient, curl and divergence conforming spaces from NURBS - non uniform rational B-splines - and thereby generalize the compatible spaces of B-splines developed in [1]. We give several examples of 2D Stokes flow calculations which result, amongst others, in a point wise divergence free velocity field. Keywords: Compatible numerical methods, Mixed methods, NURBS, IsoGeometric Analyis Be careful of the naive view that a physical law is a mathematical relation between previously defined quantities. The situation is, rather, that a certain mathematical structure represents a given physical structure. Burke [2] 1. Introduction In deriving mathematical models for physical theories, we frequently start with analysis on finite dimensional geometric objects, like a control volume and its bounding surfaces. We assign global, ’measurable’, quantities to these different geometric objects and set up balance statements. -
A General Chain Rule for Distributional Derivatives
proceedings of the american mathematical society Volume 108, Number 3, March 1990 A GENERAL CHAIN RULE FOR DISTRIBUTIONAL DERIVATIVES L. AMBROSIO AND G. DAL MASO (Communicated by Barbara L. Keyfitz) Abstract. We prove a general chain rule for the distribution derivatives of the composite function v(x) = f(u(x)), where u: R" —>Rm has bounded variation and /: Rm —>R* is Lipschitz continuous. Introduction The aim of the present paper is to prove a chain rule for the distributional derivative of the composite function v(x) = f(u(x)), where u: Q —>Rm has bounded variation in the open set ilcR" and /: Rw —>R is uniformly Lip- schitz continuous. Under these hypotheses it is easy to prove that the function v has locally bounded variation in Q, hence its distributional derivative Dv is a Radon measure in Q with values in the vector space Jz? m of all linear maps from R" to Rm . The problem is to give an explicit formula for Dv in terms of the gradient Vf of / and of the distributional derivative Du . To illustrate our formula, we begin with the simpler case, studied by A. I. Vol pert, where / is continuously differentiable. Let us denote by Su the set of all jump points of u, defined as the set of all xef! where the approximate limit u(x) does not exist at x. Then the following identities hold in the sense of measures (see [19] and [20]): (0.1) Dv = Vf(ü)-Du onß\SH, and (0.2) Dv = (f(u+)-f(u-))®vu-rn_x onSu, where vu denotes the measure theoretical unit normal to Su, u+ , u~ are the approximate limits of u from both sides of Su, and %?n_x denotes the (n - l)-dimensional Hausdorff measure. -
Math 212-Lecture 8 13.7: the Multivariable Chain Rule
Math 212-Lecture 8 13.7: The multivariable chain rule The chain rule with one independent variable w = f(x; y). If the particle is moving along a curve x = x(t); y = y(t), then the values that the particle feels is w = f(x(t); y(t)). Then, w = w(t) is a function of t. x; y are intermediate variables and t is the independent variable. The chain rule says: If both fx and fy are continuous, then dw = f x0(t) + f y0(t): dt x y Intuitively, the total change rate is the superposition of contributions in both directions. Comment: You cannot do as in one single variable calculus like @w dx @w dy dw dw + = + ; @x dt @y dt dt dt @w by canceling the two dx's. @w in @x is only the `partial' change due to the dw change of x, which is different from the dw in dt since the latter is the total change. The proof is to use the increment ∆w = wx∆x + wy∆y + small. Read Page 903. Example: Suppose w = sin(uv) where u = 2s and v = s2. Compute dw ds at s = 1. Solution. By chain rule dw @w du @w dv = + = cos(uv)v ∗ 2 + cos(uv)u ∗ 2s: ds @u ds @v ds At s = 1, u = 2; v = 1. Hence, we have cos(2) ∗ 2 + cos(2) ∗ 2 ∗ 2 = 6 cos(2): We can actually check that w = sin(uv) = sin(2s3). Hence, w0(s) = 3 2 cos(2s ) ∗ 6s . At s = 1, this is 6 cos(2). -
Chapter 4 Differentiation in the Study of Calculus of Functions of One Variable, the Notions of Continuity, Differentiability and Integrability Play a Central Role
Chapter 4 Differentiation In the study of calculus of functions of one variable, the notions of continuity, differentiability and integrability play a central role. The previous chapter was devoted to continuity and its consequences and the next chapter will focus on integrability. In this chapter we will define the derivative of a function of one variable and discuss several important consequences of differentiability. For example, we will show that differentiability implies continuity. We will use the definition of derivative to derive a few differentiation formulas but we assume the formulas for differentiating the most common elementary functions are known from a previous course. Similarly, we assume that the rules for differentiating are already known although the chain rule and some of its corollaries are proved in the solved problems. We shall not emphasize the various geometrical and physical applications of the derivative but will concentrate instead on the mathematical aspects of differentiation. In particular, we present several forms of the mean value theorem for derivatives, including the Cauchy mean value theorem which leads to L’Hôpital’s rule. This latter result is useful in evaluating so called indeterminate limits of various kinds. Finally we will discuss the representation of a function by Taylor polynomials. The Derivative Let fx denote a real valued function with domain D containing an L ? neighborhood of a point x0 5 D; i.e. x0 is an interior point of D since there is an L ; 0 such that NLx0 D. Then for any h such that 0 9 |h| 9 L, we can define the difference quotient for f near x0, fx + h ? fx D fx : 0 0 4.1 h 0 h It is well known from elementary calculus (and easy to see from a sketch of the graph of f near x0 ) that Dhfx0 represents the slope of a secant line through the points x0,fx0 and x0 + h,fx0 + h. -
1 Space Curves and Tangent Lines 2 Gradients and Tangent Planes
CLASS NOTES for CHAPTER 4, Nonlinear Programming 1 Space Curves and Tangent Lines Recall that space curves are de¯ned by a set of parametric equations, x1(t) 2 x2(t) 3 r(t) = . 6 . 7 6 7 6 xn(t) 7 4 5 In Calc III, we might have written this a little di®erently, ~r(t) =< x(t); y(t); z(t) > but here we want to use n dimensions rather than two or three dimensions. The derivative and antiderivative of r with respect to t is done component- wise, x10 (t) x1(t) dt 2 x20 (t) 3 2 R x2(t) dt 3 r(t) = . ; R(t) = . 6 . 7 6 R . 7 6 7 6 7 6 xn0 (t) 7 6 xn(t) dt 7 4 5 4 5 And the local linear approximation to r(t) is alsoRdone componentwise. The tangent line (in n dimensions) can be written easily- the derivative at t = a is the direction of the curve, so the tangent line is given by: x1(a) x10 (a) 2 x2(a) 3 2 x20 (a) 3 L(t) = . + t . 6 . 7 6 . 7 6 7 6 7 6 xn(a) 7 6 xn0 (a) 7 4 5 4 5 In Class Exercise: Use Maple to plot the curve r(t) = [cos(t); sin(t); t]T ¼ and its tangent line at t = 2 . 2 Gradients and Tangent Planes Let f : Rn R. In this case, we can write: ! y = f(x1; x2; x3; : : : ; xn) 1 Note that any function that we wish to optimize must be of this form- It would not make sense to ¯nd the maximum of a function like a space curve; n dimensional coordinates are not well-ordered like the real line- so the fol- lowing statement would be meaningless: (3; 5) > (1; 2). -
The Chain Rule in Partial Differentiation
THE CHAIN RULE IN PARTIAL DIFFERENTIATION 1 Simple chain rule If u = u(x, y) and the two independent variables x and y are each a function of just one other variable t so that x = x(t) and y = y(t), then to find du/dt we write down the differential of u ∂u ∂u δu = δx + δy + .... (1) ∂x ∂y Then taking limits δx 0, δy 0 and δt 0 in the usual way we have → → → du ∂u dx ∂u dy = + . (2) dt ∂x dt ∂y dt Note we only need straight ‘d’s’ in dx/dt and dy/dt because x and y are function of one variable t whereas u is a function of both x and y. 2 Chain rule for two sets of independent variables If u = u(x, y) and the two independent variables x, y are each a function of two new independent variables s, t then we want relations between their partial derivatives. 1. When u = u(x, y), for guidance in working out the chain rule, write down the differential ∂u ∂u δu = δx + δy + ... (3) ∂x ∂y then when x = x(s, t) and y = y(s, t) (which are known functions of s and t), the chain rule for us and ut in terms of ux and uy is ∂u ∂u ∂x ∂u ∂y = + (4) ∂s ∂x ∂s ∂y ∂s ∂u ∂u ∂x ∂u ∂y = + . (5) ∂t ∂x ∂t ∂y ∂t 2. Conversely, when u = u(s, t), for guidance in working out the chain rule write down the differential ∂u ∂u δu = δs + δt + ..