Neural Architecture Discovery via Autonomous Evolution

Toward recursive self-improvement, we investigate LLM agents autonomously designing foundation models beyond standard Transformers. We introduce a dual-framework approach: AIRA-Compose for high-level architecture search, and AIRA-Design for low-level mechanistic implementation. AIRA-Compose uses 11 agents to explore fundamental computational primitives under a 24-hour budget. Agents evaluate million-parameter candidates, extrapolating top designs to 350M, 1B, and 3B scales. This yields 14 architectures across two families: AIRAformers (Transformer-based) and AIRAhybrids (Transformer-Mamba). Pre-trained at 1B scale, these consistently outperform Llama 3.2 and Composer-found baselines. On downstream tasks, AIRAformer-D and AIRAhybrid-D improve accuracy by 2.4% and 3.8% over Llama 3.2. Furthermore, AIRA-Compose finds models with highly efficient scaling frontiers: AIRAformer-C scales 54% and 71% faster than Llama 3.2 and Composer's best Transformer, while AIRAhybrid-C outscales Nemotron-2 by 23% and Composer's best hybrid by 37%. AIRA-Design tasks 20 agents with writing novel attention mechanisms for long-range dependencies and high-performing training scripts. On the Long Range Arena benchmark, agent-designed architectures reach within 2.3% and 2.6% of human state-of-the-art on document matching and text classification. On the Autoresearch benchmark, Greedy Opus 4.5 achieves 0.968 validation bits-per-byte under a fixed time budget, surpassing the published minimum. Together, these frameworks show AI agents can autonomously discover architectures and algorithmic optimizations matching or surpassing hand-designed baselines. This establishes a powerful paradigm for discovering next-generation foundation models, marking a clear step toward recursive self-improvement.

We study what happens when a single general-purpose large language model acts as the sole researcher on a long-horizon neural architecture design problem. The agent receives a scientific question, an initial hypothesis and motivation, a compute budget, and research affordances (source and experiment management, experiment tracking, literature access, and persistent memory), then autonomously proposes, implements, evaluates, and records experiments over an extended period. The study comprises three phases, separated by human-declared transitions, that progressively expand the agent's tool surface or problem scale. Across approximately 100 sequential experiments, the agent improves a non-standard Vision Transformer from a weak baseline to a stronger, efficient model on small benchmarks and a usable but sub-SOTA model on ImageNet-1K, while producing a dense behavioural trace. We report four findings.(i)Productivity exhibits a clear phase structure: rapid early gains, a multi-dozen-hypothesis saturation wall, and recovery, with recovery triggered by expanding the action surface rather than changing the underlying model.(ii)A single early hypothesis contributes more to accuracy gain, with later improvements long-tailed.(iii)The preference for greedy, incremental hypotheses is largely workflow-induced: a commit-or-discard evaluation rule is isomorphic to greedy hill-climbing; the remainder reflects risk aversion after bold failures and anchoring on familiar literature. (iv)The agent independently rediscovers established results and, in the unfamiliar regime of pure channel attention, overturns a standard design choice. We conclude that workflow design was at least as influential as agent capability in this study and propose diversified search, budgeted moonshot hypotheses, explicit forks, and regime-aware re-validation as testable directions for future autonomous research.

AI-driven scientific discovery accelerates research by autonomously developing solutions and designs. Large language model (LLM) agents support this process through iterative generation and evaluation. Yet these iterations alone do not ensure cumulative progress or establish which directions to pursue next. Costly evaluation further constrains the scope of exploration. Neural architecture discovery brings these challenges together, coupling open-ended design with resource-intensive experimentation. We introduce EvoTreeNAD, a genealogy-guided evolutionary algorithm that constructs trainable architectures without a supplied seed or a hand-specified search space. Starting from an empty root, it grows a persistent genealogy in which each new node represents a complete architecture. Top-percentile values computed from each node and its descendants guide lineage selection. Using the selected design history, an Idea Agent proposes a variant and a Code Agent implements it. Each evaluated variant becomes a child node, expanding the genealogy while providing evidence for subsequent lineage selection. Our theoretical analysis establishes the existence of stationary variation regimes as the genealogy grows. Under specified variation assumptions, sustained top-percentile family values quantify the probability of generating high-reward architectures in these regimes. EvoTreeNAD discovers architectures that outperform the compared NAS and NAD baselines, achieving CIFAR-10/100 test errors of $2.05{\pm}0.06\%$ and $15.09{\pm}0.22\%$. On all six MedMNIST-v2 tasks, the discovered architectures surpass the strongest listed baselines. A controlled CIFAR-10 study further shows that EvoTreeNAD outperforms direct generation, best-of-$N$ greedy continuation, and full-family-mean routing.