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Edan Toledo

Publications and source records attributed to Edan Toledo.

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AIRA_2: Overcoming Bottlenecks in AI Research Agents

Existing research has identified three structural performance bottlenecks in AI research agents: (1) synchronous single-GPU execution constrains sample throughput, limiting the benefit of search; (2) a generalization gap where validation-based selection causes overfitting and performance to degrade over extended search horizons; and (3) the limited capability of fixed, single-turn LLM operators imposes a ceiling on search performance. We introduce AIRA$_2$, which addresses these bottlenecks through three architectural choices: an asynchronous multi-GPU worker pool that increases experiment throughput linearly; a Hidden Consistent Evaluation protocol that delivers a reliable evaluation signal; and ReAct agents that dynamically scope their actions and debug interactively. On MLE-bench-30, AIRA$^{\dagger}_{2}$ achieves a mean Percentile Rank of 81.5% at 24 hours and 83.1% at 72 hours, outperforming the strongest baseline, which achieves 72.7%. On AIRS-Bench, AIRA$_2$ exceeds human state-of-the-art on 6 out of 20 diverse research tasks. Ablations confirm that each architectural component is necessary, that performance follows a predictable scaling law that transfers across LLM backbones, and that the "overfitting" reported in prior work was driven by evaluation noise rather than true data memorization.

cs.AI

DiscoGen: Procedural Generation of Algorithm Discovery Tasks in Machine Learning

Automating the development of machine learning algorithms has the potential to unlock new breakthroughs. However, our ability to improve and evaluate algorithm discovery systems has thus far been limited by existing task suites. They suffer from many issues, such as: poor evaluation methodologies; data contamination; and containing saturated or very similar problems. Here, we introduce DiscoGen, a procedural generator of algorithm discovery tasks for machine learning, such as developing optimisers for reinforcement learning or loss functions for image classification. Motivated by the success of procedural generation in reinforcement learning, DiscoGen spans billions of tasks of varying difficulty and complexity from a range of machine learning fields. These tasks are specified by a small number of configuration parameters and can be used to optimise algorithm discovery agents (ADAs). We present DiscoBench, a fixed, small subset of DiscoGen tasks for principled evaluation of ADAs. Finally, we propose a number of ambitious, impactful research directions enabled by DiscoGen, and demonstrate its use for ADA optimisation through scaling experiments for automated prompt tuning. DiscoGen is released open-source at https://github.com/AlexGoldie/discogen.

cs.LG

Omnilingual MT: Machine Translation for 1,600 Languages

High-quality machine translation (MT) can scale to hundreds of languages, setting a high bar for multilingual systems. However, compared to the world's 7,000 languages, current systems still offer only limited coverage: about 200 languages on the target side, and maybe a few hundreds more on the source side, supported due to cross-lingual transfer. And even these numbers have been hard to evaluate due to the lack of reliable benchmarks and metrics. We present Omnilingual Machine Translation (OMT), the first MT system supporting more than 1,600 languages. This scale is enabled by a comprehensive data strategy that integrates large public multilingual corpora with newly created datasets, including manually curated MeDLEY bitext. We explore two ways of specializing a Large Language model (LLM) for machine translation: as a decoder-only model (OMT-LLaMA) or as a module in an encoder-decoder architecture (OMT-NLLB). Notably, all our 1B to 8B parameter models match or exceed the MT performance of a 70B LLM baseline, revealing a clear specialization advantage and enabling strong translation quality in low-compute settings. Moreover, our evaluation of English-to-1,600 translations further shows that while baseline models can interpret undersupported languages, they frequently fail to generate them with meaningful fidelity; OMT-LLaMA models substantially expand the set of languages for which coherent generation is feasible. Additionally, OMT models improve in cross-lingual transfer, being close to solving the "understanding" part of the puzzle in MT for the 1,600 evaluated. Our leaderboard and main human-created evaluation datasets (BOUQuET and Met-BOUQuET) are dynamically evolving towards Omnilinguality and freely available.

cs.CL

AIRS-Bench: a Suite of Tasks for Frontier AI Research Science Agents

LLM agents hold significant promise for advancing scientific research. To accelerate this progress, we introduce AIRS-Bench (the AI Research Science Benchmark), a suite of 20 tasks sourced from state-of-the-art machine learning papers. These tasks span diverse domains, including language modeling, mathematics, bioinformatics, and time series forecasting. AIRS-Bench tasks assess agentic capabilities over the full research lifecycle -- including idea generation, experiment analysis and iterative refinement -- without providing baseline code. The AIRS-Bench task format is versatile, enabling easy integration of new tasks and rigorous comparison across different agentic frameworks. We establish baselines using frontier models paired with both sequential and parallel scaffolds. Our results show that agents exceed human SOTA in four tasks but fail to match it in sixteen others. Even when agents surpass human benchmarks, they do not reach the theoretical performance ceiling for the underlying tasks. These findings indicate that AIRS-Bench is far from saturated and offers substantial room for improvement. We open-source the AIRS-Bench task definitions and evaluation code to catalyze further development in autonomous scientific research.

cs.AI

What Does It Take to Be a Good AI Research Agent? Studying the Role of Ideation Diversity

AI research agents offer the promise to accelerate scientific progress by automating the design, implementation, and training of machine learning models. However, the field is still in its infancy, and the key factors driving the success or failure of agent trajectories are not fully understood. We examine the role that ideation diversity plays in agent performance. First, we analyse agent trajectories on MLE-bench, a well-known benchmark to evaluate AI research agents, across different models and agent scaffolds. Our analysis reveals that different models and agent scaffolds yield varying degrees of ideation diversity, and that higher-performing agents tend to have increased ideation diversity. Further, we run a controlled experiment where we modify the degree of ideation diversity, demonstrating that higher ideation diversity results in stronger performance. Finally, we strengthen our results by examining additional evaluation metrics beyond the standard medal-based scoring of MLE-bench, showing that our findings still hold across other agent performance metrics.

cs.AI

AI Research Agents for Machine Learning: Search, Exploration, and Generalization in MLE-bench

AI research agents are demonstrating great potential to accelerate scientific progress by automating the design, implementation, and training of machine learning models. We focus on methods for improving agents' performance on MLE-bench, a challenging benchmark where agents compete in Kaggle competitions to solve real-world machine learning problems. We formalize AI research agents as search policies that navigate a space of candidate solutions, iteratively modifying them using operators. By designing and systematically varying different operator sets and search policies (Greedy, MCTS, Evolutionary), we show that their interplay is critical for achieving high performance. Our best pairing of search strategy and operator set achieves a state-of-the-art result on MLE-bench lite, increasing the success rate of achieving a Kaggle medal from 39.6% to 47.7%. Our investigation underscores the importance of jointly considering the search strategy, operator design, and evaluation methodology in advancing automated machine learning.

cs.AI

The Automated LLM Speedrunning Benchmark: Reproducing NanoGPT Improvements

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.

cs.AI

Machine Learning Interatomic Potentials: library for efficient training, model development and simulation of molecular systems

Machine Learning Interatomic Potentials (MLIP) are a novel in silico approach for molecular property prediction, creating an alternative to disrupt the accuracy/speed trade-off of empirical force fields and density functional theory (DFT). In this white paper, we present our MLIP library which was created with two core aims: (1) provide to industry experts without machine learning background a user-friendly and computationally efficient set of tools to experiment with MLIP models, (2) provide machine learning developers a framework to develop novel approaches fully integrated with molecular dynamics tools. The library includes in this release three model architectures (MACE, NequIP, and ViSNet), and two molecular dynamics (MD) wrappers (ASE, and JAX-MD), along with a set of pre-trained organics models. The seamless integration with JAX-MD, in particular, facilitates highly efficient MD simulations, bringing MLIP models significantly closer to industrial application. The library is available on GitHub and on PyPI under the Apache license 2.0.

physics.chem-ph

Investigating Memory in Model-Free RL with POPGym Arcade

How should we analyze memory in deep RL? We introduce tools for analyzing policies under partial observability and revealing how agents use memory to make decisions. To utilize these tools, we present POPGym Arcade, a collection of Atari-inspired, hardware-accelerated environments sharing a single observation and action space. Each environment provides fully and partially observable variants, enabling counterfactual studies on observability. We find that controlled studies are necessary for fair comparisons and identify a pathology where value functions smear credit over irrelevant history. Using this pathology, we demonstrate how out-of-distribution scenarios can contaminate memory, perturbing the policy far into the future. Our code is available at https://github.com/bolt-research/popgym-arcade.

cs.LG

Beyond the Boundaries of Proximal Policy Optimization

Proximal policy optimization (PPO) is a widely-used algorithm for on-policy reinforcement learning. This work offers an alternative perspective of PPO, in which it is decomposed into the inner-loop estimation of update vectors, and the outer-loop application of updates using gradient ascent with unity learning rate. Using this insight we propose outer proximal policy optimization (outer-PPO); a framework wherein these update vectors are applied using an arbitrary gradient-based optimizer. The decoupling of update estimation and update application enabled by outer-PPO highlights several implicit design choices in PPO that we challenge through empirical investigation. In particular we consider non-unity learning rates and momentum applied to the outer loop, and a momentum-bias applied to the inner estimation loop. Methods are evaluated against an aggressively tuned PPO baseline on Brax, Jumanji and MinAtar environments; non-unity learning rates and momentum both achieve statistically significant improvement on Brax and Jumanji, given the same hyperparameter tuning budget.

cs.LG

CoDreamer: Communication-Based Decentralised World Models

Sample efficiency is a critical challenge in reinforcement learning. Model-based RL has emerged as a solution, but its application has largely been confined to single-agent scenarios. In this work, we introduce CoDreamer, an extension of the Dreamer algorithm for multi-agent environments. CoDreamer leverages Graph Neural Networks for a two-level communication system to tackle challenges such as partial observability and inter-agent cooperation. Communication is separately utilised within the learned world models and within the learned policies of each agent to enhance modelling and task-solving. We show that CoDreamer offers greater expressive power than a naive application of Dreamer, and we demonstrate its superiority over baseline methods across various multi-agent environments.

cs.AI

SPO: Sequential Monte Carlo Policy Optimisation

Leveraging planning during learning and decision-making is central to the long-term development of intelligent agents. Recent works have successfully combined tree-based search methods and self-play learning mechanisms to this end. However, these methods typically face scaling challenges due to the sequential nature of their search. While practical engineering solutions can partly overcome this, they often result in a negative impact on performance. In this paper, we introduce SPO: Sequential Monte Carlo Policy Optimisation, a model-based reinforcement learning algorithm grounded within the Expectation Maximisation (EM) framework. We show that SPO provides robust policy improvement and efficient scaling properties. The sample-based search makes it directly applicable to both discrete and continuous action spaces without modifications. We demonstrate statistically significant improvements in performance relative to model-free and model-based baselines across both continuous and discrete environments. Furthermore, the parallel nature of SPO's search enables effective utilisation of hardware accelerators, yielding favourable scaling laws.

cs.AI