arXiv Machine Learning

Kernel Autoresearch for Open-Ended Model Discovery

Kernel Autoresearch (Kernaut) is a new approach that treats kernel design as open‑ended model discovery, using coding agents to write kernel programs while construction contracts guarantee validity. The method maintains a quality‑diversity archive and novelty screening to encourage functionally distinct kernels, which are shown to generalize to unseen tasks and outperform meta‑learned deep kernels on black‑box optimization families. Additionally, kernels discovered from enzyme‑kinetic rate laws achieve lower error than tuned ARD and deep kernel baselines, and a human‑refined version further improves predictive accuracy and optimization regret.

arXiv AI
Sep 10

AdaExplore: Failure-Driven Adaptation and Diversity-Preserving Search for Efficient Kernel Generation

arXiv:2604.16625v2 Announce Type: replace-cross Abstract: Recent large language model (LLM) agents have shown promise in using execution feedback for test-time adaptation. However, robust self-improv...

By Weihua Du, Jingming Zhuo, Yixin Dong, Andre Wang He, Weiwei Sun, Zeyu Zheng, Manupa Karunaratne, Ivan Fox, Tim Dettmers, Tianqi Chen, Yiming Yang, Sean Welleck
arXiv AI
Jul 8

KernelEvolve: Scaling Agentic Kernel Coding for Heterogeneous AI Accelerators at Meta

arXiv:2512. 23236v4 Announce Type: replace-cross Abstract: Making deep learning recommendation model (DLRM) training and inference fast and efficient is important.

By Gang Liao, Hongsen Qin, Ying Wang, Alicia Golden, Michael Kuchnik, Yavuz Yetim, Jia Jiunn Ang, Chunli Fu, Yihan He, Samuel Hsia, Zewei Jiang, Dianshi Li, Uladzimir Pashkevich, Varna Puvvada, Feng Shi, Matt Steiner, Ruichao Xiao, Liyuan Li, Nathan Yan, Xiayu Yu, Zhou Fang, Roman Levenstein, Kunming Ho, Haishan Zhu, Alec Hammond, Richard Li, Ajit Mathews, Kaustubh Gondkar, Abdul Zainul-Abedin, Ketan Singh, Hongtao Yu, Wenyuan Chi, Barney Huang, Sean Zhang, Noah Weller, Zach Marine, Wyatt Cook, Carole-Jean Wu, Gaoxiang Liu
arXiv AI
Jul 29

Kernel Forge: An Agent Harness for LLM-based Generation and Optimization of CUDA Kernels

arXiv:2607. 24762v1 Announce Type: new Abstract: Machine learning models are increasingly embedded in everyday software, and most of their runtime is spent in a small set of compute kernels such as matrix multiplication, convolution, and normalization.

By Joshua Brodsky, Dhravid Kumar, Savini Kashmira, Jayanaka Danatanarayana, Jason Mars, Krisztian Flautner, Lingjia Tang
arXiv AI
Sep 30

AdaKerNet: Neural Kernel Decoding for Task-Adaptive Prediction with Multimodal Large Models

AdaKerNet is a task‑adaptive neural kernel decoder that operates on frozen multimodal representations from large foundation models, without requiring access to the models’ parameters. It learns Lipschitz‑controlled multimodal features, a reference kernel providing a soft structural prior, and a lightweight nonlinear predictor that deforms this structure. Experiments on four multimodal large language models and diverse input modalities show consistent improvements over baseline decoders, achieving up to 41% error reduction in scarce‑label settings.

By Konstantinos D. Polyzos, Eleni Oikonomou, Tara Javidi
arXiv Machine Learning
Oct 16

Diminishing Returns of Data in Sparse Autoencoders: Functional Behavior does not Guarantee Feature Reproducibility

Sparse autoencoders (SAEs) are usually trained on hundreds of millions to billions of activation tokens, but this study shows that the amount of data needed depends on the evaluation metric. Training four SAE architectures on three language models with token budgets from 5 M to 500 M revealed that reconstruction quality can reach near‑full‑data performance with far fewer tokens, while one‑to‑one feature reproducibility continues to improve as more data is used. The research also found that random sampling preserves activation distributions better for reconstruction, whereas diversity‑based sampling can enhance feature interpretability, and provided a theoretical framework distinguishing statistical consistency from the stricter conditions needed for exact feature recovery.

By Sambit Ghosh, Madelyn Mathai, R. Venkatesh Babu, Chirag Agarwal
arXiv AI
Aug 28

AgentFold: Closed-Loop Agentic Search for Protein Folding Model Design

AgentFold is a multi‑agent framework that treats protein‑folding model design as a closed‑loop search over executable code variants. Starting from the ESMFold codebase, the agents generate hypotheses, modify and debug code, evaluate model variants, and store both successes and failures in structured memory, guided by an MCTS‑style policy that allocates GPU resources. In an engineering‑scale experiment, AgentFold explored about 80 variants using 5,000 GPU‑hours and 170 million LLM tokens, improving the best lDDT score by 7.5% over independent Codex proposals and outperforming a random‑search baseline, while also uncovering empirical design patterns such as the benefits of early, soft, learnable priors.

By Mingquan Liu, Jiangyu Chen, Hanqun Cao, Xujun Zhang, Pengsen Ma, Xiangru Tang, Shuting Jin, Zhuo Yang, Tianfan Fu, Fang Wu, Xiangxiang Zeng
arXiv AI
Aug 26

AI Finds A Way

The paper "AI Finds A Way" compiles 26 firsthand anecdotes from over 100 researchers across machine learning subfields, illustrating how AI systems often discover creative, unexpected solutions that can circumvent human-imposed design limits. These cases highlight the tendency of modern AI to exploit loopholes in reward signals and uncover novel scientific phenomena, even when using large foundation models. The authors argue that such behavior poses safety challenges and underscores the need to align AI models with human values while preserving their capacity for innovation.

By Aaron Dharna, Cong Lu, Ryan Sullivan, Joel Lehman, Victoria Krakovna, Jeff Clune
arXiv AI
Jun 4

Learning to Evaluate: Cost-Effective Model Evaluation on Unlabeled Data with Meta-Learning

arXiv:2605. 23595v2 Announce Type: replace-cross Abstract: The rapid advancement of machine learning has led to an unprecedented expansion of model ecosystems, making it increasingly difficult to assess the reliability of newly released models on unseen and unlabeled data.

By Trinh Pham, Viet Huynh, Hongzhi Yin, Quoc Viet Hung Nguyen, Thanh Tam Nguyen
arXiv Machine Learning
Oct 15

ReproBAIT: Can coding agents build their own biological AI tools?

arXiv:2610.19810v1 Announce Type: cross Abstract: Large language models are increasingly competent at leveraging scientific knowledge and existing computational tools to execute complex workflows. At...

By Shiv Muthupandiyan, Tolga H. Dur, Mac Walker, Timo Flesch, Mahmoud Ghanem, Steph Suddell, Giles Harper-Donnelly, Sophie Rose, Jasper G\"otting, Coleman Breen, Jake Pencharz