The AI Scientist-v2: Workshop-Level Automated Scientific Discovery via Agentic Tree Search

AI is increasingly playing a pivotal role in transforming how scientific discoveries are made. We introduce The AI Scientist-v2, an end-to-end agentic system capable of producing the first entirely AI generated peer-review-accepted workshop paper. This system iteratively formulates scientific hypotheses, designs and executes experiments, analyzes and visualizes data, and autonomously authors scientific manuscripts. Compared to its predecessor (v1, Lu et al., 2024 arXiv:2408.06292), The AI Scientist-v2 eliminates the reliance on human-authored code templates, generalizes effectively across diverse machine learning domains, and leverages a novel progressive agentic tree-search methodology managed by a dedicated experiment manager agent. Additionally, we enhance the AI reviewer component by integrating a Vision-Language Model (VLM) feedback loop for iterative refinement of content and aesthetics of the figures. We evaluated The AI Scientist-v2 by submitting three fully autonomous manuscripts to a peer-reviewed ICLR workshop. Notably, one manuscript achieved high enough scores to exceed the average human acceptance threshold, marking the first instance of a fully AI-generated paper successfully navigating a peer review. This accomplishment highlights the growing capability of AI in conducting all aspects of scientific research. We anticipate that further advancements in autonomous scientific discovery technologies will profoundly impact human knowledge generation, enabling unprecedented scalability in research productivity and significantly accelerating scientific breakthroughs, greatly benefiting society at large. We have open-sourced the code at https://github.com/SakanaAI/AI-Scientist-v2 to foster the future development of this transformative technology. We also discuss the role of AI in science, including AI safety.

Meta-learning characteristics and dynamics of quantum systems

While machine learning holds great promise for quantum technologies, most current methods focus on predicting or controlling a specific quantum system. Meta-learning approaches, however, can adapt to new systems for which little data is available, by leveraging knowledge obtained from previous data associated with similar systems. In this paper, we meta-learn dynamics and characteristics of closed and open two-level systems, as well as the Heisenberg model. Based on experimental data of a Loss-DiVincenzo spin-qubit hosted in a Ge/Si core/shell nanowire for different gate voltage configurations, we predict qubit characteristics i.e. $g$-factor and Rabi frequency using meta-learning. The algorithm we introduce improves upon previous state-of-the-art meta-learning methods for physics-based systems by introducing novel techniques such as adaptive learning rates and a global optimizer for improved robustness and increased computational efficiency. We benchmark our method against other meta-learning methods, a vanilla transformer, and a multilayer perceptron, and demonstrate improved performance.

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.

Multi-Agent Risks from Advanced AI

The rapid development of advanced AI agents and the imminent deployment of many instances of these agents will give rise to multi-agent systems of unprecedented complexity. These systems pose novel and under-explored risks. In this report, we provide a structured taxonomy of these risks by identifying three key failure modes (miscoordination, conflict, and collusion) based on agents' incentives, as well as seven key risk factors (information asymmetries, network effects, selection pressures, destabilising dynamics, commitment problems, emergent agency, and multi-agent security) that can underpin them. We highlight several important instances of each risk, as well as promising directions to help mitigate them. By anchoring our analysis in a range of real-world examples and experimental evidence, we illustrate the distinct challenges posed by multi-agent systems and their implications for the safety, governance, and ethics of advanced AI.

Learning to Reason at the Frontier of Learnability

Reinforcement learning is now widely adopted as the final stage of large language model training, especially for reasoning-style tasks such as maths problems. Typically, models attempt each question many times during a single training step and attempt to learn from their successes and failures. However, we demonstrate that throughout training with two popular algorithms (PPO and VinePPO) on two widely used datasets, many questions are either solved by all attempts - meaning they are already learned - or by none - providing no meaningful training signal. To address this, we adapt a method from the reinforcement learning literature - sampling for learnability - and apply it to the reinforcement learning stage of LLM training. Our curriculum prioritises questions with high variance of success, i.e. those where the agent sometimes succeeds, but not always. Our findings demonstrate that this curriculum consistently boosts training performance across multiple algorithms and datasets, paving the way for more efficient and effective reinforcement learning in LLMs.

LOB-Bench: Benchmarking Generative AI for Finance - an Application to Limit Order Book Data

While financial data presents one of the most challenging and interesting sequence modelling tasks due to high noise, heavy tails, and strategic interactions, progress in this area has been hindered by the lack of consensus on quantitative evaluation paradigms. To address this, we present LOB-Bench, a benchmark, implemented in python, designed to evaluate the quality and realism of generative message-by-order data for limit order books (LOB) in the LOBSTER format. Our framework measures distributional differences in conditional and unconditional statistics between generated and real LOB data, supporting flexible multivariate statistical evaluation. The benchmark also includes features commonly used LOB statistics such as spread, order book volumes, order imbalance, and message inter-arrival times, along with scores from a trained discriminator network. Lastly, LOB-Bench contains "market impact metrics", i.e. the cross-correlations and price response functions for specific events in the data. We benchmark generative autoregressive state-space models, a (C)GAN, as well as a parametric LOB model and find that the autoregressive GenAI approach beats traditional model classes.

Adam on Local Time: Addressing Nonstationarity in RL with Relative Adam Timesteps

In reinforcement learning (RL), it is common to apply techniques used broadly in machine learning such as neural network function approximators and momentum-based optimizers. However, such tools were largely developed for supervised learning rather than nonstationary RL, leading practitioners to adopt target networks, clipped policy updates, and other RL-specific implementation tricks to combat this mismatch, rather than directly adapting this toolchain for use in RL. In this paper, we take a different approach and instead address the effect of nonstationarity by adapting the widely used Adam optimiser. We first analyse the impact of nonstationary gradient magnitude -- such as that caused by a change in target network -- on Adam's update size, demonstrating that such a change can lead to large updates and hence sub-optimal performance. To address this, we introduce Adam-Rel. Rather than using the global timestep in the Adam update, Adam-Rel uses the local timestep within an epoch, essentially resetting Adam's timestep to 0 after target changes. We demonstrate that this avoids large updates and reduces to learning rate annealing in the absence of such increases in gradient magnitude. Evaluating Adam-Rel in both on-policy and off-policy RL, we demonstrate improved performance in both Atari and Craftax. We then show that increases in gradient norm occur in RL in practice, and examine the differences between our theoretical model and the observed data.

The Complexity Dynamics of Grokking

We investigate the phenomenon of generalization through the lens of compression. In particular, we study the complexity dynamics of neural networks to explain grokking, where networks suddenly transition from memorizing to generalizing solutions long after over-fitting the training data. To this end we introduce a new measure of intrinsic complexity for neural networks based on the theory of Kolmogorov complexity. Tracking this metric throughout network training, we find a consistent pattern in training dynamics, consisting of a rise and fall in complexity. We demonstrate that this corresponds to memorization followed by generalization. Based on insights from rate--distortion theory and the minimum description length principle, we lay out a principled approach to lossy compression of neural networks, and connect our complexity measure to explicit generalization bounds. Based on a careful analysis of information capacity in neural networks, we propose a new regularization method which encourages networks towards low-rank representations by penalizing their spectral entropy, and find that our regularizer outperforms baselines in total compression of the dataset.

Noisy Zero-Shot Coordination: Breaking The Common Knowledge Assumption In Zero-Shot Coordination Games

Zero-shot coordination (ZSC) is a popular setting for studying the ability of reinforcement learning (RL) agents to coordinate with novel partners. Prior ZSC formulations assume the $\textit{problem setting}$ is common knowledge: each agent knows the underlying Dec-POMDP, knows others have this knowledge, and so on ad infinitum. However, this assumption rarely holds in complex real-world settings, which are often difficult to fully and correctly specify. Hence, in settings where this common knowledge assumption is invalid, agents trained using ZSC methods may not be able to coordinate well. To address this limitation, we formulate the $\textit{noisy zero-shot coordination}$ (NZSC) problem. In NZSC, agents observe different noisy versions of the ground truth Dec-POMDP, which are assumed to be distributed according to a fixed noise model. Only the distribution of ground truth Dec-POMDPs and the noise model are common knowledge. We show that a NZSC problem can be reduced to a ZSC problem by designing a meta-Dec-POMDP with an augmented state space consisting of all the ground-truth Dec-POMDPs. For solving NZSC problems, we propose a simple and flexible meta-learning method called NZSC training, in which the agents are trained across a distribution of coordination problems - which they only get to observe noisy versions of. We show that with NZSC training, RL agents can be trained to coordinate well with novel partners even when the (exact) problem setting of the coordination is not common knowledge.

Kinetix: Investigating the Training of General Agents through Open-Ended Physics-Based Control Tasks

While large models trained with self-supervised learning on offline datasets have shown remarkable capabilities in text and image domains, achieving the same generalisation for agents that act in sequential decision problems remains an open challenge. In this work, we take a step towards this goal by procedurally generating tens of millions of 2D physics-based tasks and using these to train a general reinforcement learning (RL) agent for physical control. To this end, we introduce Kinetix: an open-ended space of physics-based RL environments that can represent tasks ranging from robotic locomotion and grasping to video games and classic RL environments, all within a unified framework. Kinetix makes use of our novel hardware-accelerated physics engine Jax2D that allows us to cheaply simulate billions of environment steps during training. Our trained agent exhibits strong physical reasoning capabilities, being able to zero-shot solve unseen human-designed environments. Furthermore, fine-tuning this general agent on tasks of interest shows significantly stronger performance than training an RL agent *tabula rasa*. This includes solving some environments that standard RL training completely fails at. We believe this demonstrates the feasibility of large scale, mixed-quality pre-training for online RL and we hope that Kinetix will serve as a useful framework to investigate this further.