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Title: Learning concise representations for regression by evolving networks of trees

Paper content:
We propose and study a method for learning interpretable representations for the task of regression.
Features are represented as networks of multi-type expression trees comprised of activation functions common in neural networks in addition to other elementary functions.
Differentiable features are trained via gradient descent, and the performance of features in a linear model is used to weight the rate of change among subcomponents of each representation.
The search process maintains an archive of representations with accuracy-complexity trade-offs to assist in generalization and interpretation.
We compare several stochastic optimization approaches within this framework.
We benchmark these variants on 100 open-source regression problems in comparison to state-of-the-art machine learning approaches.
Our main finding is that this approach produces the highest average test scores across problems while producing representations that are orders of magnitude smaller than the next best performing method (gradient boosting).
We also report a negative result in which attempts to directly optimize the disentanglement of the representation result in more highly correlated features.
The performance of a machine learning (ML) model depends primarily on the data representation used in training BID3 , and for this reason the representational capacity of neural networks (NN) is considered a central factor in their success in many applications BID19 .
To date, there does not seem to be a consensus on how the architecture should be designed.
As problems grow in complexity, the networks proposed to tackle them grow as well, leading to an intractable design space.
One design approach is to tune network architectures through network hyperparameters using grid search or randomized search BID4 with cross validation.
Often some combination of hyperparameter tuning and manual design by expertise/intuition is done BID19 .
Many approaches to network architecture search exist, including weight sharing BID53 and reinforcement learning BID70 .
Another potential solution explored in this work (and others) is to use population-based stochastic optimization (SO) methods, also known as metaheuristics BID44 .
In SO, several candidate solutions are evaluated and varied over several iterations, and heuristics are used to select and update the candidate networks until the population produces a desirable architecture.
The general approach has been studied at least since the late 80s in various forms BID45 BID69 BID60 for NN design, with several recent applications BID55 BID28 BID9 BID54 .In
practice, the adequacy of the architecture is often dependent on conflicting objectives. For
example, interpretability may be a central concern, because many researchers in the scientific community rely on ML models not only to provide predictions that match data from various processes, but to provide insight into the nature of the processes themselves. Approaches
to interpretability can be roughly grouped into semantic and syntactic approaches. Semantic approaches
encompass methods that attempt to elucidate the behavior of a model under various input conditions as a way of explanation (e.g. BID56 ). Syntactic methods instead
focus on the development of concise models that offer insight by virtue of their simplicity, in a similar vein to models built from first-principles (e.g. BID63 BID57 ). Akin to the latter group,
our goal is to discover the simplest description of a process whose predictions generalize as well as possible.Good representations should also disentangle the factors of variation BID3 in the data, in order to ease model interpretation. Disentanglement implies functional
modularity; i.e., sub-components of the network should encapsulate behaviors that model a sub-process of the task. In this sense, stochastic methods
such as evolutionary computation (EC) appear well-motivated, as they are premised on the identification and propagation of building blocks of solutions BID23 . Experiments with EC applied to networks
suggest it pressures networks to be modular BID24 BID29 . Although the identification functional
building blocks of solutions sounds ideal, we have no way of knowing a priori whether a given problem will admit the identification of building blocks of solutions via heuristic search BID49 . Our goal in this paper is thus to empirically
assess the performance of several SO approaches in a system designed to produce intelligible representations from NN building blocks for regression.In Section 2, we introduce a new method for optimizing representations that we call the feature engineering automation tool (FEAT) 1 . The purpose of this method is to optimize an
archive of representations that characterize the trade-off between conciseness and accuracy among representations. Algorithmically, two aspects of the method distinguish
FEAT from previous work. First, it represents the internal structure of each NN
as a set of syntax trees, with the goal of improving the transparency of the resultant representations. Second, it uses weights learned via gradient descent to
provide feedback to the variation process at a more granular level. We compare several multi-objective variants of this approach
using EC and non-EC methods with different sets of objectives.We discuss related work in more detail in Section 3. In section 4 and 5, we describe and conduct an experiment that
benchmarks FEAT against state-of-the-art ML methods on 100 open-source regression problems. Future work based on this analysis is discussed in Section 6,
and additional detailed results are provided in the Appendix.
This paper proposes a feature engineering archive tool that optimizes neural network architectures by representing them as syntax trees.
FEAT uses model weights as feedback to guide network variation in an EC optimization algorithm.
We conduct a thorough analysis of this method applied to the task of regression in comparison to state-of-the-art methods.
The results suggest that FEAT achieves state-of-the-art performance on regression tasks while producing representations that are significantly less complex than those resulting from similarly performing methods.
This improvement comes at an additional computational cost, limited in this study to 60 minutes per training instance.
We expect this limitation to be reasonable for many applications where intelligibility is the prime motivation.Future work should consider the issue of representation disentanglement in more depth.
Our attempts to include additional search objectives that explicitly minimize multicollinearity were not successful.
Although more analysis is needed to confirm this, we suspect that the model selection procedure (Section 2.1, step 3) permits highly collinear representations to be chosen.
This is because multicollinearity primarily affects the standard errors ofβ BID2 , and is not necessarily detrimental to validation error.
Therefore it could be incorrect to expect the model selection procedure to effectively choose more disentangled representations.
Besides improving the model selection procedure, it may be fruitful to pressure disentanglement at other stages of the search process.
For example, the variation process could prune highly correlated features, or the disentanglement metric could be combined with error into a single loss function with a tunable parameter.
We hope to pursue these ideas in future studies.

assistant: text: Representing the network architecture as a set of syntax trees and optimizing their structure leads to accurate and concise regression models.