nfl theorem
No-Free-Lunch Theories for Tensor-Network Machine Learning Models
Wu, Jing-Chuan, Ye, Qi, Deng, Dong-Ling, Yu, Li-Wei
Tensor network machine learning models have shown remarkable versatility in tackling complex data-driven tasks, ranging from quantum many-body problems to classical pattern recognitions. Despite their promising performance, a comprehensive understanding of the underlying assumptions and limitations of these models is still lacking. In this work, we focus on the rigorous formulation of their no-free-lunch theorem -- essential yet notoriously challenging to formalize for specific tensor network machine learning models. In particular, we rigorously analyze the generalization risks of learning target output functions from input data encoded in tensor network states. We first prove a no-free-lunch theorem for machine learning models based on matrix product states, i.e., the one-dimensional tensor network states. Furthermore, we circumvent the challenging issue of calculating the partition function for two-dimensional Ising model, and prove the no-free-lunch theorem for the case of two-dimensional projected entangled-pair state, by introducing the combinatorial method associated to the "puzzle of polyominoes". Our findings reveal the intrinsic limitations of tensor network-based learning models in a rigorous fashion, and open up an avenue for future analytical exploration of both the strengths and limitations of quantum-inspired machine learning frameworks.
Separable Power of Classical and Quantum Learning Protocols Through the Lens of No-Free-Lunch Theorem
Wang, Xinbiao, Du, Yuxuan, Liu, Kecheng, Luo, Yong, Du, Bo, Tao, Dacheng
The No-Free-Lunch (NFL) theorem, which quantifies problem- and data-independent generalization errors regardless of the optimization process, provides a foundational framework for comprehending diverse learning protocols' potential. Despite its significance, the establishment of the NFL theorem for quantum machine learning models remains largely unexplored, thereby overlooking broader insights into the fundamental relationship between quantum and classical learning protocols. To address this gap, we categorize a diverse array of quantum learning algorithms into three learning protocols designed for learning quantum dynamics under a specified observable and establish their NFL theorem. The exploited protocols, namely Classical Learning Protocols (CLC-LPs), Restricted Quantum Learning Protocols (ReQu-LPs), and Quantum Learning Protocols (Qu-LPs), offer varying levels of access to quantum resources. Our derived NFL theorems demonstrate quadratic reductions in sample complexity across CLC-LPs, ReQu-LPs, and Qu-LPs, contingent upon the orthogonality of quantum states and the diagonality of observables. We attribute this performance discrepancy to the unique capacity of quantum-related learning protocols to indirectly utilize information concerning the global phases of non-orthogonal quantum states, a distinctive physical feature inherent in quantum mechanics. Our findings not only deepen our understanding of quantum learning protocols' capabilities but also provide practical insights for the development of advanced quantum learning algorithms.
Transition role of entangled data in quantum machine learning
Wang, Xinbiao, Du, Yuxuan, Tu, Zhuozhuo, Luo, Yong, Yuan, Xiao, Tao, Dacheng
Entanglement serves as the resource to empower quantum computing. Recent progress has highlighted its positive impact on learning quantum dynamics, wherein the integration of entanglement into quantum operations or measurements of quantum machine learning (QML) models leads to substantial reductions in training data size, surpassing a specified prediction error threshold. However, an analytical understanding of how the entanglement degree in data affects model performance remains elusive. In this study, we address this knowledge gap by establishing a quantum no-free-lunch (NFL) theorem for learning quantum dynamics using entangled data. Contrary to previous findings, we prove that the impact of entangled data on prediction error exhibits a dual effect, depending on the number of permitted measurements. With a sufficient number of measurements, increasing the entanglement of training data consistently reduces the prediction error or decreases the required size of the training data to achieve the same prediction error. Conversely, when few measurements are allowed, employing highly entangled data could lead to an increased prediction error. The achieved results provide critical guidance for designing advanced QML protocols, especially for those tailored for execution on early-stage quantum computers with limited access to quantum resources.
The Implications of the No-Free-Lunch Theorems for Meta-induction
The important recent book by G. Schurz appreciates that the no-free-lunch theorems (NFL) have major implications for the problem of (meta) induction. Here I review the NFL theorems, emphasizing that they do not only concern the case where there is a uniform prior -- they prove that there are "as many priors" (loosely speaking) for which any induction algorithm $A$ out-generalizes some induction algorithm $B$ as vice-versa. Importantly though, in addition to the NFL theorems, there are many {free lunch} theorems. In particular, the NFL theorems can only be used to compare the {marginal} expected performance of an induction algorithm $A$ with the marginal expected performance of an induction algorithm $B$. There is a rich set of free lunches which instead concern the statistical correlations among the generalization errors of induction algorithms. As I describe, the meta-induction algorithms that Schurz advocate as a "solution to Hume's problem" are just an example of such a free lunch based on correlations among the generalization errors of induction algorithms. I end by pointing out that the prior that Schurz advocates, which is uniform over bit frequencies rather than bit patterns, is contradicted by thousands of experiments in statistical physics and by the great success of the maximum entropy procedure in inductive inference.
Descriptive vs. inferential community detection: pitfalls, myths and half-truths
Community detection is one of the most important methodological fields of network science, and one which has attracted a significant amount of attention over the past decades. This area deals with the automated division of a network into fundamental building blocks, with the objective of providing a summary of its large-scale structure. Despite its importance and widespread adoption, there is a noticeable gap between what is considered the state-of-the-art and the methods that are actually used in practice in a variety of fields. Here we attempt to address this discrepancy by dividing existing methods according to whether they have a "descriptive" or an "inferential" goal. While descriptive methods find patterns in networks based on intuitive notions of community structure, inferential methods articulate a precise generative model, and attempt to fit it to data. In this way, they are able to provide insights into the mechanisms of network formation, and separate structure from randomness in a manner supported by statistical evidence. We review how employing descriptive methods with inferential aims is riddled with pitfalls and misleading answers, and thus should be in general avoided. We argue that inferential methods are more typically aligned with clearer scientific questions, yield more robust results, and should be in many cases preferred. We attempt to dispel some myths and half-truths often believed when community detection is employed in practice, in an effort to improve both the use of such methods as well as the interpretation of their results.
What "no free lunch" really means in machine learning
You don't have to cook or spend any of your hard-earned money. The truth is unless if you count special talks and lectures in graduate school that promise free pizza, there is no free lunch in machine learning. The "no free lunch" (NFL) theorem for supervised machine learning is a theorem that essentially implies that no single machine learning algorithm is universally the best-performing algorithm for all problems. This is a concept that I explored in my previous article about the limitations of XGBoost, an algorithm that has gained immense popularity over the last five years due to its performance in academic studies and machine learning competitions. The goal of this article is to take this often misunderstood theorem and explain it so that you can appreciate the theory behind this theorem and understand the practical implications that it has on your work as a machine learning practitioner or data scientist.
The Importance Of No Free Lunch Theorems In Deep Learning
"The no free lunch theorem calls for prudency when solving ML problems by requiring that you test multiple algorithms and solutions with a clear mind and without prejudice." In a paper titled, 'The Lack of A Priori Distinctions Between Learning Algorithms', that dates back to 1996, David Wolpert explored the following questions: He showed that for any two algorithms, A and B, there are as many scenarios where A will perform worse than B as there are instances where A will outperform B. In short, for all possible problems, average performance of both the algorithms is the same. Although the no free lunch theorem by Wolpert has a more theoretical than practical appeal, there are some implications that should still be taken into account by everyone working with machine learning algorithms. These theorems prove that under a uniform distribution over search problems or learning problems, all algorithms perform equally. Search and learning are key aspects of ML and the NFL theorems have something to deliver here.
What is important about the No Free Lunch theorems?
The No Free Lunch theorems prove that under a uniform distribution over induction problems (search problems or learning problems), all induction algorithms perform equally. As I discuss in this chapter, the importance of the theorems arises by using them to analyze scenarios involving {non-uniform} distributions, and to compare different algorithms, without any assumption about the distribution over problems at all. In particular, the theorems prove that {anti}-cross-validation (choosing among a set of candidate algorithms based on which has {worst} out-of-sample behavior) performs as well as cross-validation, unless one makes an assumption -- which has never been formalized -- about how the distribution over induction problems, on the one hand, is related to the set of algorithms one is choosing among using (anti-)cross validation, on the other. In addition, they establish strong caveats concerning the significance of the many results in the literature which establish the strength of a particular algorithm without assuming a particular distribution. They also motivate a ``dictionary'' between supervised learning and improve blackbox optimization, which allows one to ``translate'' techniques from supervised learning into the domain of blackbox optimization, thereby strengthening blackbox optimization algorithms. In addition to these topics, I also briefly discuss their implications for philosophy of science.
The Two-Edged Nature of Diverse Action Costs
Fan, Gaojian (University of Alberta) | Müller, Martin (University of Alberta) | Holte, Robert (University of Alberta)
Diverse action costs are an essential feature of many real-world planning applications. Some recent studies have shown that diversity of action costs makes planning more difficult, and that searching using unit action costs can outperform searching the same domain with diverse action costs. In this paper, we provide experimental evidence and theoretical analysis showing that search can also benefit from action cost diversity. We show that on several IPC problems cost diversity has a positive effect (reduces search effort). We then present a theoretical analysis establishing that these positive cases are not accidental. Our main result is a "No Free Lunch" theorem showing that any negative effects of cost diversity are always perfectly counterbalanced by positive effects. Our theoretical analysis also shows that it is advantageous to have a strongly concentrated distribution of solution costs. In many domains, unit costs will give rise to a more concentrated distribution than diverse costs, but we give an example typifying domains in which the opposite is the case.