Daily Papers

Training Large Language Models (LLMs) incurs significant cost; hence, any strategy that accelerates model convergence is helpful. In this paper, we investigate the ability of a simple idea checkpoint averaging along the trajectory of a training run to improve both convergence and generalization quite early on during training. Here we show that models trained with high learning rates observe higher gains due to checkpoint averaging. Furthermore, these gains are amplified when checkpoints are sampled with considerable spacing in training steps. Our training recipe outperforms conventional training and popular checkpoint averaging baselines such as exponential moving average (EMA) and stochastic moving average (SWA). We evaluate our training recipe by pre-training LLMs, where high learning rates are inherently preferred due to extremely large batch sizes. Specifically, we pre-trained nanoGPT-2 models of varying sizes, small (125M), medium (335M), and large (770M)on the OpenWebText dataset, comprised of 9B tokens. Additionally, we present results for publicly available Pythia LLMs, ranging from 1B to 12B, which were trained on the PILE-deduped dataset containing 207B tokens.

Large language models route every input through a learned embedding table of shape |V| x d_model, consuming hundreds of millions to billions of trainable parameters at frontier scale. We introduce Kronecker Embeddings, a deterministic byte-level character-position factorization that replaces this table with a fixed encoder and a single learned projection, compatible with standard BPE tokenizers, eliminating 91--94% of input-side trainable parameters at frontier scale. We provide five contributions. First, a cross-model probe across six LMs (135M-671B parameters) shows trained input embeddings cluster typographic variants of the probe word far more than morphological relatives; Kronecker escapes this clustering at the embedding layer. Second, a controlled three-seed comparison on nanoGPT GPT-2 124M over 2.5B tokens of FineWeb-Edu shows Kronecker reaching 2.5 +- 0.2% lower validation loss than the BPE-tied baseline (gap 0.083 +- 0.007 nats, ~9% lower perplexity), needing ~1.43x fewer steps to reach BPE's converged loss. Third, a spelling-robustness probe over 110 clean/typo pairs shows Kronecker preserves the top-1 prediction on 55.5% of pairs vs. 47.3% for BPE (+8.2 pp) and lowers KL by 7.6%, winning or tying in 10 of 11 categories; a generation probe shows Kronecker echoes byte-novel strings and typos through generation where BPE forgets them. Fourth, BPE embedding norm drifts during training while Kronecker projection norm stays near 1.0, consistent with a stable representational target. Fifth, an on-the-fly runtime variant reconstructs embeddings from a 4.5 MB byte buffer rather than a 2.15 GB table at vocabulary 131,072, with 0.01--0.24% step-time overhead. Byte-level locality has a tradeoff: byte-similar but semantically distant pairs (compute/commute, nation/notion) cluster together, shifting disambiguation to early attention layers.

This paper presents the development and application of a Large Language Model Retrieval-Augmented Generation (LLM-RAG) system tailored for nanotechnology research. The system leverages the capabilities of a sophisticated language model to serve as an intelligent research assistant, enhancing the efficiency and comprehensiveness of literature reviews in the nanotechnology domain. Central to this LLM-RAG system is its advanced query backend retrieval mechanism, which integrates data from multiple reputable sources. The system retrieves relevant literature by utilizing Google Scholar's advanced search, and scraping open-access papers from Elsevier, Springer Nature, and ACS Publications. This multifaceted approach ensures a broad and diverse collection of up-to-date scholarly articles and papers. The proposed system demonstrates significant potential in aiding researchers by providing a streamlined, accurate, and exhaustive literature retrieval process, thereby accelerating research advancements in nanotechnology. The effectiveness of the LLM-RAG system is validated through rigorous testing, illustrating its capability to significantly reduce the time and effort required for comprehensive literature reviews, while maintaining high accuracy, query relevance and outperforming standard, publicly available LLMS.

Rapid advancements in large language models (LLMs) have the potential to assist in scientific progress. A critical capability toward this endeavor is the ability to reproduce existing work. To evaluate the ability of AI agents to reproduce results in an active research area, we introduce the Automated LLM Speedrunning Benchmark, leveraging the research community contributions on the NanoGPT speedrun, a competition to train a GPT-2 model in the shortest time. Each of the 19 speedrun tasks provides the agent with the previous records training script, optionally paired with one of three hint formats, ranging from pseudocode to paper-like descriptions of the new records improvements. Records execute quickly by design and speedrun improvements encompass diverse code-level changes, ranging from high-level algorithmic advancements to hardware-aware optimizations. These features make the benchmark both accessible and realistic for the frontier problem of improving LLM training. We find that recent reasoning LLMs combined with SoTA scaffolds struggle to reimplement already-known innovations in our benchmark, even when given detailed hints. Our benchmark thus provides a simple, non-saturated measure of an LLMs ability to automate scientific reproduction, a necessary (but not sufficient) skill for an autonomous research agent.

We introduce Aster, an AI agent for autonomous scientific discovery capable of operating over 20 times faster than existing frameworks. Given a task, an initial program, and a script to evaluate the performance of the program, Aster iteratively improves the program, often leading to new state-of-the-art performances. Aster's significant reduction in the number of iterations required for novel discovery expands the domain of tractable problems to include tasks with long evaluation durations, such as multi-hour machine learning training runs. We applied Aster to problems in mathematics, GPU kernel engineering, biology, neuroscience, and language model training. More specifically: the Erdos minimum overlap problem, optimizing the TriMul kernel, a single-cell analysis denoising problem, training a neural activity prediction model to perform well on ZAPBench, and the NanoGPT Speedrun Competition. Aster attains SOTA results in every task, except for ZAPBench, where it matches the performance of the best human solution with less than 1/190th of the compute. Aster is accessible via a web interface and API at asterlab.ai.

The Muon optimizer has rapidly emerged as a powerful, geometry-aware alternative to AdamW, demonstrating strong performance in large-scale training of neural networks. However, a critical theory-practice disconnect exists: Muon's efficiency relies on fast, approximate orthogonalization, yet all prior theoretical work analyzes an idealized, computationally intractable version assuming exact SVD-based updates. This work moves beyond the ideal by providing the first analysis of the inexact orthogonalized update at Muon's core. We develop our analysis within the general framework of Linear Minimization Oracle (LMO)-based optimization, introducing a realistic additive error model to capture the inexactness of practical approximation schemes. Our analysis yields explicit bounds that quantify performance degradation as a function of the LMO inexactness/error. We reveal a fundamental coupling between this inexactness and the optimal step size and momentum: lower oracle precision requires a smaller step size but larger momentum parameter. These findings elevate the approximation procedure (e.g., the number of Newton-Schulz steps) from an implementation detail to a critical parameter that must be co-tuned with the learning schedule. NanoGPT experiments directly confirm the predicted coupling, with optimal learning rates clearly shifting as approximation precision changes.

We study the role of batch size in stochastic conditional gradient methods under a μ-Kurdyka-Łojasiewicz (μ-KL) condition. Focusing on momentum-based stochastic conditional gradient algorithms (e.g., Scion), we derive a new analysis that explicitly captures the interaction between stepsize, batch size, and stochastic noise. Our study reveals a regime-dependent behavior: increasing the batch size initially improves optimization accuracy but, beyond a critical threshold, the benefits saturate and can eventually degrade performance under a fixed token budget. Notably, the theory predicts the magnitude of the optimal stepsize and aligns well with empirical practices observed in large-scale training. Leveraging these insights, we derive principled guidelines for selecting the batch size and stepsize, and propose an adaptive strategy that increases batch size and sequence length during training while preserving convergence guarantees. Experiments on NanoGPT are consistent with the theoretical predictions and illustrate the emergence of the predicted scaling regimes. Overall, our results provide a theoretical framework for understanding batch size scaling in stochastic conditional gradient methods and offer guidance for designing efficient training schedules in large-scale optimization.

Attention-based transformers have become the standard architecture in many deep learning fields, primarily due to their ability to model long-range dependencies and handle variable-length input sequences. However, the attention mechanism with its quadratic complexity is a significant bottleneck in the transformer architecture. This algorithm is only uni-directional in the decoder and converges to a static pattern in over-parametrized decoder-only models. I address this issue by developing a generative function as attention or activation replacement. It still has the auto-regressive character by comparing each token with the previous one. In my test setting with nanoGPT this yields a smaller loss while having a smaller model. The loss further drops by incorporating an average context vector. This concept of attention replacement is distributed under the GNU AGPL v3 license at https://gitlab.com/Bachstelze/causal_generation.

We propose a variational framework that interprets transformer layers as iterations of an optimization algorithm acting on token embeddings. In this view, self-attention implements a gradient step of an interaction energy, while MLP layers correspond to gradient updates of a potential energy. Standard GPT-style transformers emerge as vanilla gradient descent on the resulting composite objective, implemented via Lie--Trotter splitting between these two energy functionals. This perspective enables principled architectural design using classical optimization ideas. As a proof of concept, we introduce a Nesterov-style accelerated transformer that preserves the same attention and MLP oracles. The resulting architecture consistently outperforms a nanoGPT baseline on TinyStories and OpenWebText, demonstrating that optimization-theoretic insights can translate into practical gains.

Training instability remains a critical challenge in large language model (LLM) pretraining, often manifesting as sudden gradient explosions that waste significant computational resources. We study training failures in a 5M-parameter NanoGPT model scaled via μP, identifying two key phenomena preceding collapse: (1) rapid decline in weight matrix stable rank (ratio of squared Frobenius norm to squared spectral norm), and (2) increasing alignment between adjacent layer Jacobians. We prove theoretically that these two conditions jointly cause exponential gradient norm growth with network depth. To break this instability mechanism, we propose MSign, a new optimizer that periodically applies matrix sign operations to restore stable rank. Experiments on models from 5M to 3B parameters demonstrate that MSign effectively prevents training failures with a computational overhead of less than 7.0%.

Neural networks are often highly sensitive to input and weight perturbations. This sensitivity has been linked to pathologies such as vulnerability to adversarial examples, divergent training, and overfitting. To combat these problems, past research has looked at building neural networks entirely from Lipschitz components. However, these techniques have not matured to the point where researchers have trained a modern architecture such as a transformer with a Lipschitz certificate enforced beyond initialization. To explore this gap, we begin by developing and benchmarking novel, computationally-efficient tools for maintaining norm-constrained weight matrices. Applying these tools, we are able to train transformer models with Lipschitz bounds enforced throughout training. We find that optimizer dynamics matter: switching from AdamW to Muon improves standard methods -- weight decay and spectral normalization -- allowing models to reach equal performance with a lower Lipschitz bound. Inspired by Muon's update having a fixed spectral norm, we co-design a weight constraint method that improves the Lipschitz vs. performance tradeoff on MLPs and 2M parameter transformers. Our 2-Lipschitz transformer on Shakespeare text reaches validation accuracy 60%. Scaling to 145M parameters, our 10-Lipschitz transformer reaches 21% accuracy on internet text. However, to match the NanoGPT baseline validation accuracy of 39.4%, our Lipschitz upper bound increases to 10^264. Nonetheless, our Lipschitz transformers train without stability measures such as layer norm, QK norm, and logit tanh softcapping.

Training loss and throughput can hide distinct internal representation in language-model training. To examine these hidden mechanics, we use spectral measurements as practical and operational diagnostics. Using a controlled family of decoder-only models adapted from the modded NanoGPT codebase, we introduce an empirical protocol based on activation covariance and per-sample gradient SVD spectra. This dual-view reveals three empirical findings and one mechanistic explanation. First, batch size acts as a latent determinant of representation geometry: runs that reach equal loss settle into systematically distinct activation spectra. Second, the activation covariance tail measured early in training reliably forecasts downstream token efficiency. Third, movement of the activation spectrum head (leading modes), together with gradient spectra, characterizes underlying learning-dynamics changes, separating learning-side architectural improvements from primarily execution-side gains. These predictive and diagnostic signals persist across the 12-, 36-, and 48-layer model tiers. Finally, a mechanistic model proves the main observations and explains how activation covariance spectra correlate with task-aligned feature learning.

The Muon optimizer has received considerable attention for its strong performance in training large language models, yet the design principle behind its matrix-gradient orthogonalization remains largely elusive. In this paper, we introduce a surrogate model that not only sheds new light on the design of Muon, but more importantly leads to a new optimizer. In the same spirit as the derivation of Newton's method, the surrogate approximates the loss as a quadratic function of the perturbation to a weight matrix W using only three matrices: the gradient G, an output-space curvature matrix H, and the data matrix Z that stacks the layer inputs. By minimizing this surrogate in one step and adopting a certain isotropic assumption on the weights, we obtain the closed-form update rule (up to momentum and weight decay) W leftarrow W - ηcdot msgn(G(ZZ^top)^{-1}), where η is the learning rate and msgn(X)=UV^top if X=USV^top is a compact singular value decomposition. This new optimization method, which we refer to as Newton-Muon, shows that standard Muon can be interpreted as an implicit Newton-type method that neglects the right preconditioning induced by the input second moment. Empirically, on a reproduction of the earliest publicly released Modded-NanoGPT speedrun configuration using Muon for GPT-2 pretraining, Newton-Muon reaches the target validation loss in 6\% fewer iteration steps and reduces wall-clock training time by about 4\%.

Residual connections are central to modern deep neural networks, enabling stable optimization and efficient information flow across depth. In this work, we propose SCORE (Skip-Connection ODE Recurrent Embedding), a discrete recurrent alternative to classical layer stacking. Instead of composing multiple independent layers, SCORE iteratively applies a single shared neural block using an ODE (Ordinary Differential Equation)-inspired contractive update: ht+1 = (1 - dt) * ht + dt * F(ht) This formulation can be interpreted as a depth-by-iteration refinement process, where the step size dt explicitly controls stability and update magnitude. Unlike continuous Neural ODE approaches, SCORE uses a fixed number of discrete iterations and standard backpropagation without requiring ODE solvers or adjoint methods. We evaluate SCORE across graph neural networks (ESOL molecular solubility), multilayer perceptrons, and Transformer-based language models (nanoGPT). Across architectures, SCORE generally improves convergence speed and often accelerates training. SCORE is reducing parameter count through shared weights. In practice, simple Euler integration provides the best trade-off between computational cost and performance, while higher-order integrators yield marginal gains at increased compute. These results suggest that controlled recurrent depth with contractive residual updates offers a lightweight and effective alternative to classical stacking in deep neural networks.

Automated AI research holds great potential to accelerate scientific discovery. However, current LLMs often generate plausible-looking but ineffective ideas. Execution grounding may help, but it is unclear whether automated execution is feasible and whether LLMs can learn from the execution feedback. To investigate these, we first build an automated executor to implement ideas and launch large-scale parallel GPU experiments to verify their effectiveness. We then convert two realistic research problems - LLM pre-training and post-training - into execution environments and demonstrate that our automated executor can implement a large fraction of the ideas sampled from frontier LLMs. We analyze two methods to learn from the execution feedback: evolutionary search and reinforcement learning. Execution-guided evolutionary search is sample-efficient: it finds a method that significantly outperforms the GRPO baseline (69.4% vs 48.0%) on post-training, and finds a pre-training recipe that outperforms the nanoGPT baseline (19.7 minutes vs 35.9 minutes) on pre-training, all within just ten search epochs. Frontier LLMs often generate meaningful algorithmic ideas during search, but they tend to saturate early and only occasionally exhibit scaling trends. Reinforcement learning from execution reward, on the other hand, suffers from mode collapse. It successfully improves the average reward of the ideator model but not the upper-bound, due to models converging on simple ideas. We thoroughly analyze the executed ideas and training dynamics to facilitate future efforts towards execution-grounded automated AI research.

Neurons in the brain are organized such that nearby cells tend to share similar functions. AI models lack this organization, and past efforts to introduce topography have often led to trade-offs between topography and task performance. In this work, we present TopoLoss, a new loss function that promotes spatially organized topographic representations in AI models without significantly sacrificing task performance. TopoLoss is highly adaptable and can be seamlessly integrated into the training of leading model architectures. We validate our method on both vision (ResNet-18, ResNet-50, ViT) and language models (GPT-Neo-125M, NanoGPT), collectively TopoNets. TopoNets are the highest-performing supervised topographic models to date, exhibiting brain-like properties such as localized feature processing, lower dimensionality, and increased efficiency. TopoNets also predict responses in the brain and replicate the key topographic signatures observed in the brain's visual and language cortices. Together, this work establishes a robust and generalizable framework for integrating topography into leading model architectures, advancing the development of high-performing models that more closely emulate the computational strategies of the human brain.

Large Language Models (LLMs) have emerged as powerful operators for evolutionary search, yet the design of efficient search scaffolds remains ad hoc. While promising, current LLM-in-the-loop systems lack a systematic approach to managing the evolutionary process. We identify three distinct failure modes: Context Pollution, where experiment history biases future candidate generation; Mode Collapse, where agents stagnate in local minima due to poor exploration-exploitation balance; and Weak Collaboration, where rigid crossover strategies fail to leverage parallel search trajectories effectively. We introduce Progress-Aware Consistent Evolution (PACEvolve), a framework designed to robustly govern the agent's context and search dynamics, to address these challenges. PACEvolve combines hierarchical context management (HCM) with pruning to address context pollution; momentum-based backtracking (MBB) to escape local minima; and a self-adaptive sampling policy that unifies backtracking and crossover for dynamic search coordination (CE), allowing agents to balance internal refinement with cross-trajectory collaboration. We demonstrate that PACEvolve provides a systematic path to consistent, long-horizon self-improvement, achieving state-of-the-art results on LLM-SR and KernelBench, while discovering solutions surpassing the record on Modded NanoGPT.