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![Positive semi-definite kernel
7
Def. W: set; k : W x W R
k is positive semi-definite if k is symmetric, and for any
the matrix (Gram matrix) satisfies
– Examples on Rm:
• Gaussian kernel
• Laplace kernel
• Polynomial kernel
𝑐 = [𝑐1, … , 𝑐 𝑛] 𝑇∈ 𝑅 𝑛,
𝑛 ∈ 𝐍, 𝑥1, … , 𝑥 𝑛 ∈ W,
𝐺 𝑋: 𝑘 𝑋𝑖, 𝑋𝑗
𝑖𝑗
𝑐 𝑇
𝐺 𝑋 𝑐 = 𝑐𝑖 𝑐𝑗 𝑘 𝑋𝑖, 𝑋𝑗
𝑛
𝑖,𝑗=1 ≥ 0.
𝑘 𝐺 𝑥, 𝑦 = exp −
1
2𝜎2
||𝑥 − 𝑦||2
𝑘 𝐿 𝑥, 𝑦 = exp −𝛼 |𝑥𝑖 − 𝑦𝑖|
𝑚
𝑖=1
𝑘 𝑃 𝑥, 𝑦 = 𝑥 𝑇 𝑦 + 𝑐 𝑑
(𝑐 ≥ 0, 𝑑 ∈ 𝐍)
(𝛼 > 0)
(𝜎 > 0)
𝑘 𝑋𝑖, 𝑋𝑗 =<Φ 𝑋𝑖 , Φ 𝑋𝑗 >
positive definite: 𝑐 𝑇
𝐺 𝑋 𝑐 > 0.](https://image.slidesharecdn.com/yanxukernelbayesv3-140501103107-phpapp02/75/Kernel-Bayes-Rule-7-2048.jpg)
Uploaded byYan Xu
Kernel Bayes Rule
1) Kernel Bayes' rule provides a nonparametric approach to Bayesian inference using positive definite kernels. It represents probabilities as elements in a reproducing kernel Hilbert space. 2) Using kernel mean embeddings, kernel Bayes' rule computes the posterior kernel mean directly from covariance operators without needing to compute integrals or approximations. 3) Given samples from the joint distribution and the prior kernel mean, kernel Bayes' rule computes the posterior kernel mean as a weighted sum of prior sample kernel embeddings, providing a nonparametric realization of Bayesian inference.
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Kernel Bayes Rule
- 1. 1 Kernel Bayes’ Rule YanXu [email protected] Kernel based automatic learning workshop University of Houston April 24, 2014 K. Fukumizu, L. Song, A. Gretton, “Kernel Bayes’ rule: Bayesian inference with positive definite kernels” Journal of Machine Learning Research, vol. 14, Dec. 2013.
- 2. Bayesian inference Bayes’ rule •PROS – Principled and flexible method for statistical inference. – Can incorporate prior knowledge. • CONS – Computation: integral is needed » Numerical integration: Monte Carlo etc » Approximation: Variational Bayes, belief propagation etc. 2 𝑞 𝑥 𝑦 = 𝑝 𝑦 𝑥 𝜋(𝑥) 𝑝 𝑦 𝑥 𝜋 𝑥 𝑑𝑥posterior likelihood prior
- 3. Motivating Example: Robotlocation COLD: Cosy Location Database Kanagawa et al. Kernel Monte Carlo Filter, 2013 State 𝑋𝑡 ∈ 𝐑3 ： 2-D coordinate and orientation of a robot Observation 𝑍𝑡： image SIFT features (Scale Invariant Feature Transform, 4200dim） Goal: Estimate the location of a robot from image sequences
- 4. – Hidden MarkovModel Sequential application of Bayes’ rule solves the task. – Nonparametric approach is needed: Observation process: 𝑝 𝑍𝑡 𝑋𝑡) is very difficult to model with a simple parametric model. “Nonparametric” implementation of Bayesian inference 4 X1 X2 X3 XT Z1 Z2 Z3 ZT … Transition of state Location & orientation image location & orientation image of the environment 4 location & orientation image of the environment 𝑝 𝑍𝑡 𝑋𝑡) 𝑝 𝑋𝑡 𝑍1:𝑡)
- 5. Kernel method forBayesian inference A new nonparametric / kernel approach to Bayesian inference • Using positive definite kernels to represent probabilities. – Kernel mean embedding is used. • “Nonparametric” Bayesian inference – No density functions are needed, but data are needed. • Bayesian inference with matrix computation. – Computation is done with Gram matrices. – No integral, no approximate inference. 5
- 6. Kernel methods: anoverview 6 Feature space (functional space) xi F H W xｊ Space of original data feature map Do linear analysis in the feature space. Φ: Ω → 𝐻, 𝑥 ↦ Φ(𝑥) Kernel PCA, kernel SVM, kernel regression etc. Φ 𝑥𝑖 Φ 𝑥𝑗
- 7. Positive semi-definite kernel 7 Def.W: set; k : W x W R k is positive semi-definite if k is symmetric, and for any the matrix (Gram matrix) satisfies – Examples on Rm: • Gaussian kernel • Laplace kernel • Polynomial kernel 𝑐 = [𝑐1, … , 𝑐 𝑛] 𝑇∈ 𝑅 𝑛, 𝑛 ∈ 𝐍, 𝑥1, … , 𝑥 𝑛 ∈ W, 𝐺 𝑋: 𝑘 𝑋𝑖, 𝑋𝑗 𝑖𝑗 𝑐 𝑇 𝐺 𝑋 𝑐 = 𝑐𝑖 𝑐𝑗 𝑘 𝑋𝑖, 𝑋𝑗 𝑛 𝑖,𝑗=1 ≥ 0. 𝑘 𝐺 𝑥, 𝑦 = exp − 1 2𝜎2 ||𝑥 − 𝑦||2 𝑘 𝐿 𝑥, 𝑦 = exp −𝛼 |𝑥𝑖 − 𝑦𝑖| 𝑚 𝑖=1 𝑘 𝑃 𝑥, 𝑦 = 𝑥 𝑇 𝑦 + 𝑐 𝑑 (𝑐 ≥ 0, 𝑑 ∈ 𝐍) (𝛼 > 0) (𝜎 > 0) 𝑘 𝑋𝑖, 𝑋𝑗 =<Φ 𝑋𝑖 , Φ 𝑋𝑗 > positive definite: 𝑐 𝑇 𝐺 𝑋 𝑐 > 0.
- 8. Reproducing Kernel HilbertSpace 8 “Feature space” = Reproducing kernel Hilbert space (RKHS) A positive definite kernel 𝑘 on W uniquely defines a RKHS Hk (Aronzajn 1950). • Function space: functions on W. • Very special inner product: for any 𝑓 ∈ 𝐻 𝑘 • Its dimensionality may be infinite (Gaussian, Laplace). (reproducing property)𝑓, 𝑘 ∙ , 𝑥 𝐻 𝑘 = 𝑓(𝑥)
- 9. Mapping data intoRKHS 9 Φ: Ω → 𝐻 𝑘, 𝑥 ↦ 𝑘(⋅, 𝑥) 𝑋1, … , 𝑋 𝑛 ↦ Φ 𝑋1 , … , Φ(𝑋 𝑛): functional data Basic statistics on Euclidean space Basic statistics on RKHS Probability Covariance Conditional probability Kernel mean Covariance operator Conditional kernel mean
- 10. Mean on RKHS 10 X:random variable taking value on a measurable space W, ~ P. k: pos.def. kernel on W. : RKHS defined by k. Def. kernel mean on H : – Kernel mean can express higher-order moments of 𝑋. Suppose 𝑘 𝑢, 𝑥 = 𝑐0 + 𝑐1 𝑢𝑥 + 𝑐2 𝑢𝑥 2 + ⋯ 𝑐𝑖 ≥ 0 , e.g., 𝑒 𝑢𝑥 – Reproducing expectations 𝑓, 𝑚 𝑃 = 𝐸 𝑓 𝑋 for any 𝑓 ∈ 𝐻 𝑘. 𝑚 𝑃 ≔ 𝐸 Φ 𝑋 = 𝐸 𝑘 ⋅ , 𝑋 = 𝑘 ⋅, 𝑥 𝑑𝑃 𝑥 ∈ 𝐻 𝑘 𝑚 𝑃 𝑢 = 𝑐0 + 𝑐1 𝐸 𝑋 𝑢 + 𝑐2 𝐸 𝑋2 𝑢2 + ⋯ 𝐻 𝑘
- 11. Characteristic kernel (Fukumizu etal. JMLR 2004, AoS 2009; Sriperumbudur et al. JMLR2010) 11 Def. A bounded pos. def. kernel k is called characteristic if is injective, i.e., 𝐸 𝑋~𝑃 𝑘 ⋅ , 𝑋 = 𝐸 𝑌~𝑄 𝑘 ⋅ , 𝑌 𝑃 = 𝑄. 𝑚 𝑃 with a characteristic kernel uniquely determines a probability. Examples: Gaussian, Laplace kernel Polynomial kernel: not characteristic. P → 𝐻 𝑘, 𝑃 ↦ 𝑚 𝑃
- 12. Covariance 12 (X , Y): random vector taking values on WX×WY. (HX, kX), (HY , kY): RKHS on WX and WY, resp. Def. (uncentered) covariance operators 𝐶 𝑌𝑋: 𝐻 𝑋 → 𝐻 𝑌, 𝐶 𝑋𝑋: 𝐻 𝑋 → 𝐻 𝑋 Reproducing property 𝐶 𝑌𝑋: = 𝐸 Φ 𝑌 𝑌 Φ 𝑋 𝑋 ,⋅ 𝐻 𝑋 , 𝐶 𝑋𝑋 = 𝐸 Φ 𝑋 𝑋 Φ 𝑋 𝑋 ,⋅ 𝐻 𝑋 𝑔, 𝐶 𝑌𝑋 𝑓 𝐻 𝑌 = 𝐸 𝑓 𝑋 𝑔 𝑌 for all 𝑓 ∈ 𝐻 𝑋, 𝑔 ∈ 𝐻 𝑌. WX WY FX FY HX HY X Y FX(X) FY(Y) YXC 𝐶 𝑌𝑋 𝑓 = 𝑘 𝑌 ⋅, 𝑦 𝑓 𝑥 𝑑𝑃 𝑥, 𝑦 , 𝐶 𝑋𝑋 𝑓 = 𝑘 𝑋 ⋅, 𝑥 𝑓 𝑥 𝑑𝑃𝑋(𝑥) 𝐶 𝑌𝑋 𝑓 = 1 𝑛 𝑘 𝑌 ⋅, 𝑌𝑖 𝑘 𝑋 ⋅, 𝑋𝑖 , 𝑓 𝑛 𝑖=1 = 1 𝑛 𝑘 𝑌 ⋅, 𝑌𝑖 𝑓(𝑋𝑖) 𝑛 𝑖=1 Empirical Estimator: Given 𝑋1, 𝑌1, , … , 𝑋 𝑛, 𝑌𝑛 ~ 𝑃, i.i.d.,
- 13. Conditional kernel mean 13 –𝑋, 𝑌: Centered gaussian random vectors (∈ 𝑅 𝑚, 𝑅ℓ, resp.) – With characteristic kernels, for general 𝑋 and 𝑌, argmin 𝐴∈𝑅ℓ×𝑚 𝑌 − 𝐴𝑋 2 𝑑𝑃(𝑋, 𝑌) = 𝑉𝑌𝑋 𝑉𝑋𝑋 −1 argmin 𝐹∈𝐻 𝑋⊗𝐻 𝑌 Φ 𝑌 𝑌 − 𝐹 𝑋 𝐻 𝑌 2 𝑑𝑃(𝑋, 𝑌) = 𝐶 𝑌𝑋 𝐶 𝑋𝑋 −1 〈𝐹, Φ 𝑋 𝑋 〉 𝐸 Φ 𝑌 𝑋 = 𝑥 = 𝐶 𝑌𝑋 𝐶 𝑋𝑋 −1 Φ 𝑋(𝑥) 𝑉 : Covariance matrix In practice: 𝑚 𝑌|𝑋=𝑥 ≔ 𝐶 𝑌𝑋 𝐶 𝑋𝑋 + 𝜀 𝑛 𝐼 −1 Φ 𝑋(𝑥) 𝐸 𝑌 𝑋 = 𝑥 = ？𝑉𝑌𝑋 𝑉𝑋𝑋 −1 𝑥
- 14. Kernel realization ofBayes’ rule 14 Bayes’ rule Π: prior with p. d. f 𝜋 𝑝(𝑦|𝑥): conditional probability (likelihood). Kernel realization: Goal: estimate the kernel mean of the posterior given – 𝑚Π: kernel mean of prior Π, – 𝐶 𝑋𝑋, 𝐶 𝑌𝑋: covariance operators for (𝑋, 𝑌) ~ 𝑄, 𝑞 𝑥 𝑦 = 𝑝 𝑦 𝑥 𝜋(𝑥) 𝑞(𝑦) , 𝑞 𝑦 = 𝑝 𝑦 𝑥 𝜋 𝑥 𝑑𝑥. 𝑚 𝑄 𝑥|𝑦∗ : = 𝑘 𝑋(⋅, 𝑥)𝑞 𝑥 𝑦∗ 𝑑𝑥
- 15. 15 𝑋𝑗, 𝑌𝑗 X Y Observation 𝑦∗ 𝑋𝑖,𝑤𝑖 X Kernel realization of Bayes’ rule 𝑈𝑖, 𝛾𝑖 X Prior 𝑚Π = 𝛾𝑗Φ 𝑋 𝑈𝑗 ℓ 𝑗=1 𝑈1, 𝛾1 , … , 𝑈ℓ, 𝛾ℓ : weighted sample expression from importance sampling Posterior 𝑚 𝑄 𝑥|𝑦∗ = 𝑤𝑖 𝑦∗ Φ 𝑋(𝑋𝑖) 𝑛 𝑖=1 𝑋1, 𝑌1 , … , 𝑋 𝑛, 𝑌𝑛 : (joint) sample ~ 𝑄
- 16. 𝑚 𝑄 𝑥|𝑦∗ ⋅= 𝑤𝑖 𝑦∗ 𝑘 𝑋 ⋅, 𝑋𝑖 = 𝐤 𝑋 ⋅ 𝑇 𝑅 𝑥|𝑦 𝐤 𝑌 𝑦∗ 𝑛 𝑖=1 Kernel Bayes’ Rule 16 Input: 𝑋1, 𝑌1 , … , 𝑋 𝑛, 𝑌𝑛 ~ Q, 𝑚Π = 𝛾𝑗k 𝑋 𝑋𝑖, 𝑈𝑗 ℓ 𝑗=1 𝑖=1 (prior) n < 𝑓 , 𝑚 𝑄 𝑥|𝑦∗ > = 𝐟 𝑋 𝑇 𝑅 𝑥|𝑦 𝐤 𝑌 𝑦∗ , 𝐟 𝑋 = 𝑓 𝑋1 , … , 𝑓 𝑋 𝑛 𝑇𝑓 ∈ 𝐻 𝑋 𝐤 𝑌 𝑦∗ = 𝐤 𝑌 𝑌𝑖, 𝑦∗ 𝑖=1 n 𝜀 𝑛, 𝛿 𝑛: regularization coefficients Note: y∗ : observation 𝐺 𝑋: 𝑘 𝑋 𝑋𝑖, 𝑋𝑗 𝑖𝑗 𝐺 𝑋𝑈: 𝑘 𝑋 𝑋𝑖, 𝑈𝑗 𝑖𝑗 𝐺 𝑌: 𝑘 𝑌 𝑌𝑖, 𝑌𝑗 𝑖𝑗 Λ = Diag 𝐺 𝑋/𝑛 + 𝜀 𝑛 𝐼 𝑛 −1 𝐺 𝑋𝑈 𝛾 n × n n× ℓ ℓ × 1n × n 𝑅 𝑥|𝑦 = Λ𝐺 𝑌 Λ𝐺 𝑌 2 + 𝛿 𝑛 𝐼 𝑛 −1 Λ. n × n n × n
- 17. Application: Bayesian Computation WithoutLikelihood 17 KBR for kernel posterior mean: ABC (Approximate Bayesian Computation): 1). Generate a sample 𝑋𝑡 from the prior Π; 2). Generate a sample 𝑌𝑡 from 𝑃(𝑌|𝑋𝑡); 3). If 𝐷(𝑦∗, 𝑌𝑡) < 𝜏, accept 𝑋𝑡; otherwise reject; 4) Go to 1). 1). Generate samples 𝑋1, … , 𝑋 𝑛 from the prior Π; 2). Generate a sample 𝑌𝑡 from 𝑃(𝑌|𝑋𝑡); 3). Compute Gram matrices 𝐺 𝑋 and 𝐺 𝑌 with (𝑋1, 𝑌1),…,(𝑋 𝑛, 𝑌𝑛); 4). 𝑅 𝑥|𝑦 = Λ𝐺 𝑌 Λ𝐺 𝑌 2 + 𝛿 𝑛 𝐼 𝑛 −1 Λ. 𝑚 𝑄 𝑥|𝑦∗ ⋅ = 𝐤 𝑋 ⋅ 𝑇 𝑅 𝑥|𝑦 𝐤 𝑌 𝑦∗ Efficiency can be arbitrarily poor for small 𝜏. Only obtain expectations of functions in RKHS Note: D is a distance measure in the space of Y.
- 18. 18 Application: Kernel MonteCarlo Filter X1 X2 X3 XT Z1 Z2 Z3 ZT … Transition of state 𝑝(𝑋, 𝑍） = 𝜋（𝑋1） 𝑝(𝑍𝑡|𝑋𝑡) 𝑇 𝑡=1 𝑞(𝑋𝑡+1|𝑋𝑡) 𝑇−1 𝑡=1 Problem statement Training data: (𝑋1, 𝑍1, … , 𝑋 𝑇, 𝑍 𝑇) Kernel mean of posterior: 𝑚 𝑥 𝑡|𝑧1:𝑡 = 𝑘 𝑥 ∙, 𝑋𝑖 𝑝 𝑥𝑡 𝑧1:𝑡 𝑑𝑥𝑡 = 𝛼 𝑡 𝑘 𝑋(⋅, 𝑋𝑖)𝑛 𝑖=1 𝑖 State estimation: pre-image: or the sample point with maximum weight
- 19. 19 Kanagawa et al.Kernel Monte Carlo Filter, 2013 Application: Kernel Monte Carlo Filter
- 20. 20 NAI: naïve method KBR:KBR + KBR NN: PF + K-nearest neighbor KMC: Kernel Monte Carlo KMC for Robot localizationKanagawa et al. Kernel Monte Carlo Filter, 2013 training sample = 200 : true location : estimate
- 21. Conclusions 21 A new nonparametric/ kernel approach to Bayesian inference • Kernel mean embedding: using positive definite kernels to represent probabilities • “Nonparametric” Bayesian inference : No densities are needed but data. • Bayesian inference with matrix computation. Computation is done with Gram matrices. No integral, no approximate inference. • More suitable for high dimensional data than smoothing kernel approach.
- 22. References Fukumizu, K.,L. Song, A. Gretton (2013) Kernel Bayes' Rule: Bayesian Inference with Positive Definite Kernels. Journal of Machine Learning Research. 14:3753−3783. Song, L., Gretton, A., and Fukumizu, K. (2013) Kernel Embeddings of Conditional Distributions. IEEE Signal Processing Magazine 30(4), 98- 111 Kanagawa, M., Nishiyama, Y., Gretton, A., Fukumizu. K. (2013) Kernel Monte Carlo Filter. arXiv:1312.4664 22
- 23. Appendix I. Importancesampling 23
- 24. Appendix II. SimulatedGaussian data • Simulated data: (𝑋𝑖, 𝑌𝑖)~𝑁( 0 𝑑/2, 𝟏 𝑑/2 𝑇 , 𝑉), 𝑖 = 1, … , 𝑁 𝑉~𝐴 𝑇 𝐴 + 2𝐼 𝑑, 𝐴~𝑁 0, 𝐼 𝑑 , 𝑁 = 200 • Prior Π: 𝑈𝑗~𝑁 0; 0.5 ∗ 𝑉𝑋𝑋 , 𝑗 = 1, … , 𝐿, 𝐿 = 200 • Dimension: 𝑑 = 2, … , 64 • Gaussian kernels are used for both methods • Bandwidth parameters are selected with CV or the median of the pair-wise distances 24 Validation: Mean square errors (MSE) of the estimates of 𝑥𝑞 𝑥 𝑦 𝑑𝑥 over 1000 random points 𝑦~𝑁(0, 𝑉𝑌𝑌). ℎ 𝑋 = ℎ 𝑌
- 25. 25 KBR: Kernel BayesRule KDE+IW: Kernel density estimation + Importance weighting. COND: belonging to KBR ABC: Approximate Bayesian Computation Numbers at marks are sample sizes