Search arXiv⌕ Search
Home/Archive/arXiv

arXiv · 2610.10394

Kernel Autoresearch for Open-Ended Model Discovery

Richard Cornelius Suwandi·Feng Yin·Kevin Murphy
View original source ↗Read source document ↗Export metadata ↓

Abstract

Kernels encode the inductive bias of a wide range of machine learning models, yet automated kernel design faces a fundamental dilemma. A fixed grammar of base kernels and operators guarantees validity but limits the search to structures expressible by those building blocks. Conversely, unrestricted programs remove this limitation but no longer guarantee validity. In our stress tests, 22-58% of LLM-generated kernels that pass numerical checks on random inputs fail when evaluated at different scales or dimensions. We propose Kernel Autoresearch (Kernaut), which treats kernel design as open-ended model discovery. Coding agents write kernels as programs, while construction contracts ensure that every accepted kernel is valid. A quality-diversity archive retains high-performing kernels with distinct behaviors, and novelty screening steers agents toward functionally new candidates. Our experiments demonstrate that the discovered kernels encode reusable inductive biases that generalize to unseen tasks. On held-out black-box optimization families, a discovered kernel outperforms a meta-learned deep kernel trained on the same episodes. Furthermore, kernels discovered from ten enzyme-kinetic rate laws achieve lower error than tuned ARD and deep kernel baselines on five unseen mechanisms. The discovered kernels are also interpretable programs that human researchers can refine: a human-refined version of one further reduces the held-out predictive error by 5.7% and optimization regret by 7.8%.

Explore related subjects

cs.LG

Keep this discovery

Explore connections, maps & timelines

BibTeXRIS

Richard Cornelius Suwandi, Feng Yin, Kevin Murphy. 2026-10-07. Kernel Autoresearch for Open-Ended Model Discovery. https://arxiv.org/abs/2610.10394

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

KEEP EXPLORING

Related papers

arXiv2026

Learning in the Recurrent State: Gradient Descent with Linear Recurrent Networks

In-context learning lets a sequence model adapt to a new task from examples in its input. A prominent line of work shows how self-attention can be constructed to implement gradient descent on a linear predictor fit to the in-context examples during the forward pass. State-space models (SSMs) and other linear recurrent networks (LRNNs) model sequences at linear time cost, but it is unclear how their recurrent update could carry out the same in-context gradient descent. We introduce Gradient-based Recurrent In-context Learner (GRIL), a diagonal LRNN that factorizes a supervised gradient step into a short-window cross-product write and a multiplicative readout of the next query. For linear regression, this construction accumulates the context gradient in a matrix state and applies it in a single forward pass, with $O(f^2)$ learned degrees of freedom. The same design extends to multi-step updates and cross-entropy classification, with a limited MLP-based extension to non-linear regression. We show empirically that trained GRILs recover the behavior and parameters analytically predicted by the construction on synthetic ICL tasks. Furthermore, the same architecture can be extended and trained on general-purpose benchmarks, including Long Range Arena, language modeling and associative recall. Together, these results establish windowed cross-product self-attention as a concrete inductive bias that lets LRNNs learn in context through gradient-descent-like updates, while remaining trainable on general-purpose tasks.

cs.LG↗
arXiv2026

LLaTA: Unlocking Graph Structure Learning with Tree-Guided Large Language Models

The emergence of large language models (LLMs) has popularized text-attributed graphs (TAGs), creating an urgent need for graph structure learning (GSL) methods that effectively leverage textual information. However, existing GSL approaches are designed for traditional graphs without text, and adapting them to LLMs faces two challenges: defining a suitable optimization objective given LLMs' massive parameters, and designing an efficient architecture without costly fine-tuning. To address these, we propose LLaTA (Large Language and Tree Assistant), which reformulates GSL as a tree optimization framework---shifting from training edge predictors to designing a language-aware tree sampler. LLaTA constructs structural encoding trees via entropy minimization to capture topology, then leverages tree-guided LLM in-context learning to integrate textual semantics without fine-tuning. Extensive experiments on 11 datasets demonstrate LLaTA's flexibility with any backbone, superior scalability over LLM-based GSL methods, and state-of-the-art effectiveness across diverse domains.

cs.LG↗
arXiv2026

Causal Posterior Estimation

We present Causal Posterior Estimation (CPE), a novel method for Bayesian inference in simulator models, where evaluating the likelihood function is intractable or computationally expensive, but generating outputs given parameter values is straightforward. CPE approximates the posterior distribution using flow matching while directly incorporating the conditional dependence structure induced by the model's graphical representation into the neural network architecture. Across extensive experiments, we demonstrate that hard-coding these conditional dependencies into the network, rather than requiring them to be learned from data, enables CPE to achieve highly accurate posterior inference that matches or outperforms state-of-the-art baselines.

cs.LG↗