arXiv subjects

Roberta Raileanu

Publications and source records attributed to Roberta Raileanu.

At least 19 recordsLinked to original sources

arXiv2026

A Compositional Framework for Open-ended Intelligence

Open-ended intelligence is the capacity to adapt to novel problems and environments that are substantially different from those in training. A mathematics of open-ended intelligence requires two pillars: first, a minimal set of representational primitives (e.g., states, actions) and algorithmic primitives (e.g., nearest neighbor); and second, an acquired compositional grammar for selection, recursion, and branching that produces sequences of operations and recurring motifs. We formalize open-ended intelligence in terms of the compositional closure induced by a finite primitive set $P$ and a set of composition operators $C$. We characterize properties of the induced closure $\mathcal{L}(P,C)$ that support unbounded compositional generation across families of tasks and worlds. The closure of the two pillars yields infinite adaptive responses across a wide range of settings. The mathematics supports complementary research agendas, including evaluation metrics for explanation and interpretability, and novel architectures where compositional generalization is native. We propose next primitive prediction (NPP) as a novel architectural objective, where training encourages the acquisition of reusable algorithmic primitives and their compositional grammar, such that new solutions are generated through recombination. Given such an objective, curriculum learning and self-play can enable lifelong learning, expanding the closure by discovering reusable primitives and transition motifs across settings. We ground the framework through case studies in physics, evolution, and neuroscience.

cs.LG↗

arXiv2026

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↗

arXiv2026

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↗

arXiv2025

Souper-Model: How Simple Arithmetic Unlocks State-of-the-Art LLM Performance

Large Language Models (LLMs) have demonstrated remarkable capabilities across diverse domains, but their training remains resource- and time-intensive, requiring massive compute power and careful orchestration of training procedures. Model souping-the practice of averaging weights from multiple models of the same architecture-has emerged as a promising pre- and post-training technique that can enhance performance without expensive retraining. In this paper, we introduce Soup Of Category Experts (SoCE), a principled approach for model souping that utilizes benchmark composition to identify optimal model candidates and applies non-uniform weighted averaging to maximize performance. Contrary to previous uniform-averaging approaches, our method leverages the observation that benchmark categories often exhibit low inter-correlations in model performance. SoCE identifies "expert" models for each weakly-correlated category cluster and combines them using optimized weighted averaging rather than uniform weights. We demonstrate that the proposed method improves performance and robustness across multiple domains, including multilingual capabilities, tool calling, and math and achieves state-of-the-art results on the Berkeley Function Calling Leaderboard.

cs.CL↗

arXiv2025

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↗

arXiv2025

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↗

arXiv2025

LLM-First Search: Self-Guided Exploration of the Solution Space

Large Language Models (LLMs) have demonstrated remarkable improvements in reasoning and planning through increased test-time compute, often by framing problem-solving as a search process. While methods like Monte Carlo Tree Search (MCTS) have proven effective in some domains, their reliance on fixed exploration hyperparameters limits their adaptability across tasks of varying difficulty, rendering them impractical or expensive in certain settings. In this paper, we propose \textbf{LLM-First Search (LFS)}, a novel \textit{LLM Self-Guided Search} method that removes the need for pre-defined search strategies by empowering the LLM to autonomously control the search process via self-guided exploration. Rather than relying on external heuristics or hardcoded policies, the LLM evaluates whether to pursue the current search path or explore alternative branches based on its internal scoring mechanisms. This enables more flexible and context-sensitive reasoning without requiring manual tuning or task-specific adaptation. We evaluate LFS on Countdown and Sudoku against three classic widely-used search algorithms, Tree-of-Thoughts' Breadth First Search (ToT-BFS), Best First Search (BestFS), and MCTS, each of which have been used to achieve SotA results on a range of challenging reasoning tasks. We found that LFS (1) performs better on more challenging tasks without additional tuning, (2) is more computationally efficient compared to the other methods, especially when powered by a stronger model, (3) scales better with stronger models, due to its LLM-First design, and (4) scales better with increased compute budget. Our code is publicly available at \href{https://github.com/NathanHerr/LLM-First-Search}{LLM-First-Search}.

cs.AI↗

arXiv2025

MLGym: A New Framework and Benchmark for Advancing AI Research Agents

We introduce Meta MLGym and MLGym-Bench, a new framework and benchmark for evaluating and developing LLM agents on AI research tasks. This is the first Gym environment for machine learning (ML) tasks, enabling research on reinforcement learning (RL) algorithms for training such agents. MLGym-bench consists of 13 diverse and open-ended AI research tasks from diverse domains such as computer vision, natural language processing, reinforcement learning, and game theory. Solving these tasks requires real-world AI research skills such as generating new ideas and hypotheses, creating and processing data, implementing ML methods, training models, running experiments, analyzing the results, and iterating through this process to improve on a given task. We evaluate a number of frontier large language models (LLMs) on our benchmarks such as Claude-3.5-Sonnet, Llama-3.1 405B, GPT-4o, o1-preview, and Gemini-1.5 Pro. Our MLGym framework makes it easy to add new tasks, integrate and evaluate models or agents, generate synthetic data at scale, as well as develop new learning algorithms for training agents on AI research tasks. We find that current frontier models can improve on the given baselines, usually by finding better hyperparameters, but do not generate novel hypotheses, algorithms, architectures, or substantial improvements. We open-source our framework and benchmark to facilitate future research in advancing the AI research capabilities of LLM agents.

cs.CL↗

arXiv2024

MaestroMotif: Skill Design from Artificial Intelligence Feedback

Describing skills in natural language has the potential to provide an accessible way to inject human knowledge about decision-making into an AI system. We present MaestroMotif, a method for AI-assisted skill design, which yields high-performing and adaptable agents. MaestroMotif leverages the capabilities of Large Language Models (LLMs) to effectively create and reuse skills. It first uses an LLM's feedback to automatically design rewards corresponding to each skill, starting from their natural language description. Then, it employs an LLM's code generation abilities, together with reinforcement learning, for training the skills and combining them to implement complex behaviors specified in language. We evaluate MaestroMotif using a suite of complex tasks in the NetHack Learning Environment (NLE), demonstrating that it surpasses existing approaches in both performance and usability.

cs.AI↗

arXiv2024

Source2Synth: Synthetic Data Generation and Curation Grounded in Real Data Sources

Synthetic data generation has recently emerged as a promising approach for enhancing the capabilities of large language models (LLMs) without the need for expensive human annotations. However, existing methods often generate data that can be low quality or contrived. In this paper, we introduce Source2Synth, a scalable approach for synthetic data generation and curation that is grounded in real-world data sources. Source2Synth takes as input a custom data source and produces synthetic data examples with intermediate reasoning steps. Our method improves the dataset quality by discarding low-quality generations based on their answerability. We demonstrate the generality of this approach by applying it to two tasks that leverage two different types of data: multi-hop question answering (MHQA), where we test complex reasoning abilities leveraging documents, and tabular question answering (TQA), where we test tool usage leveraging tables. Our method improves performance by 25.51% for TQA on WikiSQL and 22.57% for MHQA on HotpotQA compared to the fine-tuned baselines.

cs.CL↗

arXiv2024

Identification of a turnover in the initial mass function of a young stellar cluster down to 0.5 M$_{J}$

A successful theory of star formation should predict the number of objects as a function of their mass produced through star-forming events. Previous studies in star-forming regions and the solar neighborhood identify a mass function increasing from the hydrogen-burning limit down to about 10 M$_{J}$. Theory predicts a limit to the fragmentation process, providing a natural turnover in the mass function down to the opacity limit of turbulent fragmentation thought to be near 1-10 M$_{J}$. Programs to date have not been sensitive enough to probe the hypothesized opacity limit of fragmentation. We present the first identification of a turnover in the initial mass function below 12 M$_{J}$ within NGC 2024, a young star-forming region. With JWST/NIRCam deep exposures across 0.7-5 $\mu$m, we identified several free floating objects down to roughly 3 M$_{J}$ with sensitivity to 0.5 M$_{J}$. We present evidence for a double power law model increasing from about 60 M$_{J}$ to roughly 12 M$_{J}$, consistent with previous studies, followed by a decrease down to 0.5 M$_{J}$. Our results support the predictions of star and brown dwarf formation theory, identifying the theoretical turnover in the mass function and suggest the fundamental limit of turbulent fragmentation near 3 M$_{J}$.

astro-ph.SR↗

arXiv2024

Are Large Language Models Strategic Decision Makers? A Study of Performance and Bias in Two-Player Non-Zero-Sum Games

Large Language Models (LLMs) have been increasingly used in real-world settings, yet their strategic decision-making abilities remain largely unexplored. To fully benefit from the potential of LLMs, it's essential to understand their ability to function in complex social scenarios. Game theory, which is already used to understand real-world interactions, provides a good framework for assessing these abilities. This work investigates the performance and merits of LLMs in canonical game-theoretic two-player non-zero-sum games, Stag Hunt and Prisoner Dilemma. Our structured evaluation of GPT-3.5, GPT-4-Turbo, GPT-4o, and Llama-3-8B shows that these models, when making decisions in these games, are affected by at least one of the following systematic biases: positional bias, payoff bias, or behavioural bias. This indicates that LLMs do not fully rely on logical reasoning when making these strategic decisions. As a result, it was found that the LLMs' performance drops when the game configuration is misaligned with the affecting biases. When misaligned, GPT-3.5, GPT-4-Turbo, GPT-4o, and Llama-3-8B show an average performance drop of 32\%, 25\%, 34\%, and 29\% respectively in Stag Hunt, and 28\%, 16\%, 34\%, and 24\% respectively in Prisoner's Dilemma. Surprisingly, GPT-4o (a top-performing LLM across standard benchmarks) suffers the most substantial performance drop, suggesting that newer models are not addressing these issues. Interestingly, we found that a commonly used method of improving the reasoning capabilities of LLMs, chain-of-thought (CoT) prompting, reduces the biases in GPT-3.5, GPT-4o, and Llama-3-8B but increases the effect of the bias in GPT-4-Turbo, indicating that CoT alone cannot fully serve as a robust solution to this problem. We perform several additional experiments, which provide further insight into these observed behaviours.

cs.AI↗

arXiv2024

DreamCraft: Text-Guided Generation of Functional 3D Environments in Minecraft

Procedural Content Generation (PCG) algorithms enable the automatic generation of complex and diverse artifacts. However, they don't provide high-level control over the generated content and typically require domain expertise. In contrast, text-to-3D methods allow users to specify desired characteristics in natural language, offering a high amount of flexibility and expressivity. But unlike PCG, such approaches cannot guarantee functionality, which is crucial for certain applications like game design. In this paper, we present a method for generating functional 3D artifacts from free-form text prompts in the open-world game Minecraft. Our method, DreamCraft, trains quantized Neural Radiance Fields (NeRFs) to represent artifacts that, when viewed in-game, match given text descriptions. We find that DreamCraft produces more aligned in-game artifacts than a baseline that post-processes the output of an unconstrained NeRF. Thanks to the quantized representation of the environment, functional constraints can be integrated using specialized loss terms. We show how this can be leveraged to generate 3D structures that match a target distribution or obey certain adjacency rules over the block types. DreamCraft inherits a high degree of expressivity and controllability from the NeRF, while still being able to incorporate functional constraints through domain-specific objectives.

cs.GR↗

arXiv2024

Teaching Large Language Models to Reason with Reinforcement Learning

Reinforcement Learning from Human Feedback (\textbf{RLHF}) has emerged as a dominant approach for aligning LLM outputs with human preferences. Inspired by the success of RLHF, we study the performance of multiple algorithms that learn from feedback (Expert Iteration, Proximal Policy Optimization (\textbf{PPO}), Return-Conditioned RL) on improving LLM reasoning capabilities. We investigate both sparse and dense rewards provided to the LLM both heuristically and via a learned reward model. We additionally start from multiple model sizes and initializations both with and without supervised fine-tuning (\textbf{SFT}) data. Overall, we find all algorithms perform comparably, with Expert Iteration performing best in most cases. Surprisingly, we find the sample complexity of Expert Iteration is similar to that of PPO, requiring at most on the order of $10^6$ samples to converge from a pretrained checkpoint. We investigate why this is the case, concluding that during RL training models fail to explore significantly beyond solutions already produced by SFT models. Additionally, we discuss a trade off between maj@1 and pass@96 metric performance during SFT training and how conversely RL training improves both simultaneously. We then conclude by discussing the implications of our findings for RLHF and the future role of RL in LLM fine-tuning.

cs.LG↗

arXiv2024

Rainbow Teaming: Open-Ended Generation of Diverse Adversarial Prompts

As large language models (LLMs) become increasingly prevalent across many real-world applications, understanding and enhancing their robustness to adversarial attacks is of paramount importance. Existing methods for identifying adversarial prompts tend to focus on specific domains, lack diversity, or require extensive human annotations. To address these limitations, we present Rainbow Teaming, a novel black-box approach for producing a diverse collection of adversarial prompts. Rainbow Teaming casts adversarial prompt generation as a quality-diversity problem and uses open-ended search to generate prompts that are both effective and diverse. Focusing on the safety domain, we use Rainbow Teaming to target various state-of-the-art LLMs, including the Llama 2 and Llama 3 models. Our approach reveals hundreds of effective adversarial prompts, with an attack success rate exceeding 90% across all tested models. Furthermore, we demonstrate that prompts generated by Rainbow Teaming are highly transferable and that fine-tuning models with synthetic data generated by our method significantly enhances their safety without sacrificing general performance or helpfulness. We additionally explore the versatility of Rainbow Teaming by applying it to question answering and cybersecurity, showcasing its potential to drive robust open-ended self-improvement in a wide range of applications.

cs.CL↗

arXiv2024

TOOLVERIFIER: Generalization to New Tools via Self-Verification

Teaching language models to use tools is an important milestone towards building general assistants, but remains an open problem. While there has been significant progress on learning to use specific tools via fine-tuning, language models still struggle with learning how to robustly use new tools from only a few demonstrations. In this work we introduce a self-verification method which distinguishes between close candidates by self-asking contrastive questions during (1) tool selection; and (2) parameter generation. We construct synthetic, high-quality, self-generated data for this goal using Llama-2 70B, which we intend to release publicly. Extensive experiments on 4 tasks from the ToolBench benchmark, consisting of 17 unseen tools, demonstrate an average improvement of 22% over few-shot baselines, even in scenarios where the distinctions between candidate tools are finely nuanced.

cs.CL↗

arXiv2024

GLoRe: When, Where, and How to Improve LLM Reasoning via Global and Local Refinements

State-of-the-art language models can exhibit impressive reasoning refinement capabilities on math, science or coding tasks. However, recent work demonstrates that even the best models struggle to identify \textit{when and where to refine} without access to external feedback. Outcome-based Reward Models (\textbf{ORMs}), trained to predict correctness of the final answer indicating when to refine, offer one convenient solution for deciding when to refine. Process Based Reward Models (\textbf{PRMs}), trained to predict correctness of intermediate steps, can then be used to indicate where to refine. But they are expensive to train, requiring extensive human annotations. In this paper, we propose Stepwise ORMs (\textbf{SORMs}) which are trained, only on synthetic data, to approximate the expected future reward of the optimal policy or $V^{\star}$. More specifically, SORMs are trained to predict the correctness of the final answer when sampling the current policy many times (rather than only once as in the case of ORMs). Our experiments show that SORMs can more accurately detect incorrect reasoning steps compared to ORMs, thus improving downstream accuracy when doing refinements. We then train \textit{global} refinement models, which take only the question and a draft solution as input and predict a corrected solution, and \textit{local} refinement models which also take as input a critique indicating the location of the first reasoning error. We generate training data for both models synthetically by reusing data used to train the SORM. We find combining global and local refinements, using the ORM as a reranker, significantly outperforms either one individually, as well as a best of three sample baseline. With this strategy we can improve the accuracy of a LLaMA-2 13B model (already fine-tuned with RL) on GSM8K from 53\% to 65\% when greedily sampled.

cs.CL↗

arXiv2023

The Generalization Gap in Offline Reinforcement Learning

Despite recent progress in offline learning, these methods are still trained and tested on the same environment. In this paper, we compare the generalization abilities of widely used online and offline learning methods such as online reinforcement learning (RL), offline RL, sequence modeling, and behavioral cloning. Our experiments show that offline learning algorithms perform worse on new environments than online learning ones. We also introduce the first benchmark for evaluating generalization in offline learning, collecting datasets of varying sizes and skill-levels from Procgen (2D video games) and WebShop (e-commerce websites). The datasets contain trajectories for a limited number of game levels or natural language instructions and at test time, the agent has to generalize to new levels or instructions. Our experiments reveal that existing offline learning algorithms struggle to match the performance of online RL on both train and test environments. Behavioral cloning is a strong baseline, outperforming state-of-the-art offline RL and sequence modeling approaches when trained on data from multiple environments and tested on new ones. Finally, we find that increasing the diversity of the data, rather than its size, improves performance on new environments for all offline learning algorithms. Our study demonstrates the limited generalization of current offline learning algorithms highlighting the need for more research in this area.

cs.LG↗