Search arXiv⌕ Search
Home/Archive/arXiv

arXiv · 2210.04766

Hierarchical Learning in Euclidean Neural Networks

Joshua A. Rackers·Pranav Rao
View original source ↗Read source document ↗Export metadata ↓

Abstract

Equivariant machine learning methods have shown wide success at 3D learning applications in recent years. These models explicitly build in the reflection, translation and rotation symmetries of Euclidean space and have facilitated large advances in accuracy and data efficiency for a range of applications in the physical sciences. An outstanding question for equivariant models is why they achieve such larger-than-expected advances in these applications. To probe this question, we examine the role of higher order (non-scalar) features in Euclidean Neural Networks (\texttt{e3nn}). We focus on the previously studied application of \texttt{e3nn} to the problem of electron density prediction, which allows for a variety of non-scalar outputs, and examine whether the nature of the output (scalar $l=0$, vector $l=1$, or higher order $l>1$) is relevant to the effectiveness of non-scalar hidden features in the network. Further, we examine the behavior of non-scalar features throughout training, finding a natural hierarchy of features by $l$, reminiscent of a multipole expansion. We aim for our work to ultimately inform design principles and choices of domain applications for {\tt e3nn} networks.

Explore related subjects

cs.LGphysics.chem-ph

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Joshua A. Rackers, Pranav Rao. 2022-10-10. Hierarchical Learning in Euclidean Neural Networks. https://arxiv.org/abs/2210.04766

Cite the original work for its findings. Save a collection to share your selection of sources.

KEEP EXPLORING

Related papers

arXiv2026

Online Regularized Statistical Learning in Reproducing Kernel Hilbert Space With Non-Stationary Data

We study recursive regularized learning algorithms in the reproducing kernel Hilbert space (RKHS) with non-stationary online data streams. We introduce the concept of a random Tikhonov regularization path and decompose the tracking error of the algorithm's output for the regularization path into random difference equations in RKHS. We show that the tracking error vanishes in mean square and almost surely if the regularization path is slowly time-varying. Then, leveraging the monotonicity of inverse operators and the spectral decomposition of compact operators, and introducing the RKHS persistence of excitation condition, we develop a dominated convergence method to prove the mean square and almost sure consistency between the regularization path and the unknown function to be learned. Especially, for independent and non-identically distributed data streams, the mean square and almost sure consistency between the algorithm's output and the unknown function is achieved if the input data's marginal probability measures are slowly time-varying and the average measure over each fixed-length time period is uniformly above a strictly positive finite Borel measure.

cs.LG↗
arXiv2026

Reflective Policy Optimization

On-policy reinforcement learning methods, like Trust Region Policy Optimization (TRPO) and Proximal Policy Optimization (PPO), often demand extensive data per update, leading to sample inefficiency. This paper introduces Reflective Policy Optimization (RPO), a novel on-policy extension that amalgamates past and future state-action information for policy optimization. This approach empowers the agent for introspection, allowing modifications to its actions within the current state. Theoretical analysis confirms that policy performance is monotonically improved and contracts the solution space, consequently expediting the convergence procedure. Empirical results demonstrate RPO's feasibility and efficacy in two reinforcement learning benchmarks, culminating in superior sample efficiency. The source code of this work is available at https://github.com/Edgargan/RPO.

cs.LG↗
arXiv2026

Transductive Off-policy Proximal Policy Optimization

Proximal Policy Optimization (PPO) is a popular model-free reinforcement learning algorithm, esteemed for its simplicity and efficacy. However, due to its inherent on-policy nature, its proficiency in harnessing data from disparate policies is constrained. This paper introduces a novel off-policy extension to the original PPO method, christened Transductive Off-policy PPO (ToPPO). Herein, we provide theoretical justification for incorporating off-policy data in PPO training and prudent guidelines for its safe application. Our contribution includes a novel formulation of the policy improvement lower bound for prospective policies derived from off-policy data, accompanied by a computationally efficient mechanism to optimize this bound, underpinned by assurances of monotonic improvement. Comprehensive experimental results across six representative tasks underscore ToPPO's promising performance.

cs.LG↗