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.

In chemical reaction network theory, ordinary differential equations are used to model the temporal change of chemical species concentration. As the functional form of these ordinary differential equations systems is derived from an empirical model of the reaction network, it may be incomplete. Our approach aims to elucidate these hidden insights in the reaction network by combining dynamic modelling with deep learning in the form of neural ordinary differential equations. Our contributions not only help to identify the shortcomings of existing empirical models but also assist the design of future reaction networks.

A common way to drive progress of AI models and agents is to compare their performance on standardized benchmarks. Comparing the performance of general agents requires aggregating their individual performances across a potentially wide variety of different tasks. In this paper, we describe a novel ranking scheme inspired by social choice frameworks, called Soft Condorcet Optimization (SCO), to compute the optimal ranking of agents: the one that makes the fewest mistakes in predicting the agent comparisons in the evaluation data. This optimal ranking is the maximum likelihood estimate when evaluation data (which we view as votes) are interpreted as noisy samples from a ground truth ranking, a solution to Condorcet's original voting system criteria. SCO ratings are maximal for Condorcet winners when they exist, which we show is not necessarily true for the classical rating system Elo. We propose three optimization algorithms to compute SCO ratings and evaluate their empirical performance. When serving as an approximation to the Kemeny-Young voting method, SCO rankings are on average 0 to 0.043 away from the optimal ranking in normalized Kendall-tau distance across 865 preference profiles from the PrefLib open ranking archive. In a simulated noisy tournament setting, SCO achieves accurate approximations to the ground truth ranking and the best among several baselines when 59\% or more of the preference data is missing. Finally, SCO ranking provides the best approximation to the optimal ranking, measured on held-out test sets, in a problem containing 52,958 human players across 31,049 games of the classic seven-player game of Diplomacy.

We show how the quality of decisions based on the aggregated opinions of the crowd can be conveniently studied using a sample of individual responses to a standard IQ questionnaire. We aggregated the responses to the IQ questionnaire using simple majority voting and a machine learning approach based on a probabilistic graphical model. The score for the aggregated questionnaire, Crowd IQ, serves as a quality measure of decisions based on aggregating opinions, which also allows quantifying individual and crowd performance on the same scale. We show that Crowd IQ grows quickly with the size of the crowd but saturates, and that for small homogeneous crowds the Crowd IQ significantly exceeds the IQ of even their most intelligent member. We investigate alternative ways of aggregating the responses and the impact of the aggregation method on the resulting Crowd IQ. We also discuss Contextual IQ, a method of quantifying the individual participant's contribution to the Crowd IQ based on the Shapley value from cooperative game theory.

Game theory is the study of mathematical models of strategic interactions among rational agents. Language is a key medium of interaction for humans, though it has historically proven difficult to model dialogue and its strategic motivations mathematically. A suitable model of the players, strategies, and payoffs associated with linguistic interactions (i.e., a binding to the conventional symbolic logic of game theory) would enable existing game-theoretic algorithms to provide strategic solutions in the space of language. In other words, a binding could provide a route to computing stable, rational conversational strategies in dialogue. Large language models (LLMs) have arguably reached a point where their generative capabilities can enable realistic, human-like simulations of natural dialogue. By prompting them in various ways, we can steer their responses towards different output utterances. Leveraging the expressivity of natural language, LLMs can also help us quickly generate new dialogue scenarios, which are grounded in real world applications. In this work, we present one possible binding from dialogue to game theory as well as generalizations of existing equilibrium finding algorithms to this setting. In addition, by exploiting LLMs generation capabilities along with our proposed binding, we can synthesize a large repository of formally-defined games in which one can study and test game-theoretic solution concepts. We also demonstrate how one can combine LLM-driven game generation, game-theoretic solvers, and imitation learning to construct a process for improving the strategic capabilities of LLMs.

The core is a central solution concept in cooperative game theory, defined as the set of feasible allocations or payments such that no subset of agents has incentive to break away and form their own subgroup or coalition. However, it has long been known that the core (and approximations, such as the least-core) are hard to compute. This limits our ability to analyze cooperative games in general, and to fully embrace cooperative game theory contributions in domains such as explainable AI (XAI), where the core can complement the Shapley values to identify influential features or instances supporting predictions by black-box models. We propose novel iterative algorithms for computing variants of the core, which avoid the computational bottleneck of many other approaches; namely solving large linear programs. As such, they scale better to very large problems as we demonstrate across different classes of cooperative games, including weighted voting games, induced subgraph games, and marginal contribution networks. We also explore our algorithms in the context of XAI, providing further evidence of the power of the core for such applications.

We argue that many general evaluation problems can be viewed through the lens of voting theory. Each task is interpreted as a separate voter, which requires only ordinal rankings or pairwise comparisons of agents to produce an overall evaluation. By viewing the aggregator as a social welfare function, we are able to leverage centuries of research in social choice theory to derive principled evaluation frameworks with axiomatic foundations. These evaluations are interpretable and flexible, while avoiding many of the problems currently facing cross-task evaluation. We apply this Voting-as-Evaluation (VasE) framework across multiple settings, including reinforcement learning, large language models, and humans. In practice, we observe that VasE can be more robust than popular evaluation frameworks (Elo and Nash averaging), discovers properties in the evaluation data not evident from scores alone, and can predict outcomes better than Elo in a complex seven-player game. We identify one particular approach, maximal lotteries, that satisfies important consistency properties relevant to evaluation, is computationally efficient (polynomial in the size of the evaluation data), and identifies game-theoretic cycles.

The past few years have seen impressive progress in the development of deep generative models capable of producing high-dimensional, complex, and photo-realistic data. However, current methods for evaluating such models remain incomplete: standard likelihood-based metrics do not always apply and rarely correlate with perceptual fidelity, while sample-based metrics, such as FID, are insensitive to overfitting, i.e., inability to generalize beyond the training set. To address these limitations, we propose a new metric called the Feature Likelihood Score (FLS), a parametric sample-based score that uses density estimation to provide a comprehensive trichotomic evaluation accounting for novelty (i.e., different from the training samples), fidelity, and diversity of generated samples. We empirically demonstrate the ability of FLS to identify specific overfitting problem cases, where previously proposed metrics fail. We also extensively evaluate FLS on various image datasets and model classes, demonstrating its ability to match intuitions of previous metrics like FID while offering a more comprehensive evaluation of generative models. Code is available at https://github.com/marcojira/fls.

We show how solution concepts from cooperative game theory can be used to tackle the problem of pruning neural networks. The ever-growing size of deep neural networks (DNNs) increases their performance, but also their computational requirements. We introduce a method called Game Theory Assisted Pruning (GTAP), which reduces the neural network's size while preserving its predictive accuracy. GTAP is based on eliminating neurons in the network based on an estimation of their joint impact on the prediction quality through game theoretic solutions. Specifically, we use a power index akin to the Shapley value or Banzhaf index, tailored using a procedure similar to Dropout (commonly used to tackle overfitting problems in machine learning). Empirical evaluation of both feedforward networks and convolutional neural networks shows that this method outperforms existing approaches in the achieved tradeoff between the number of parameters and model accuracy.

Identifying key patterns of tactics implemented by rival teams, and developing effective responses, lies at the heart of modern football. However, doing so algorithmically remains an open research challenge. To address this unmet need, we propose TacticAI, an AI football tactics assistant developed and evaluated in close collaboration with domain experts from Liverpool FC. We focus on analysing corner kicks, as they offer coaches the most direct opportunities for interventions and improvements. TacticAI incorporates both a predictive and a generative component, allowing the coaches to effectively sample and explore alternative player setups for each corner kick routine and to select those with the highest predicted likelihood of success. We validate TacticAI on a number of relevant benchmark tasks: predicting receivers and shot attempts and recommending player position adjustments. The utility of TacticAI is validated by a qualitative study conducted with football domain experts at Liverpool FC. We show that TacticAI's model suggestions are not only indistinguishable from real tactics, but also favoured over existing tactics 90% of the time, and that TacticAI offers an effective corner kick retrieval system. TacticAI achieves these results despite the limited availability of gold-standard data, achieving data efficiency through geometric deep learning.