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Publications
HoneyComb: A Flexible LLM-Based Agent System for Materials Science
The emergence of specialized large language models (LLMs) has shown promise in addressing complex tasks in materials science. Many LLMs, how… (see more)ever, often struggle with the distinct complexities of materials science tasks, such as computational challenges, and rely heavily on outdated implicit knowledge, leading to inaccuracies and hallucinations. To address these challenges, we introduce HoneyComb, the first LLM-based agent system specifically designed for materials science. HoneyComb leverages a reliable, high-quality materials science knowledge base (MatSciKB) and a sophisticated tool hub (ToolHub) tailored specifically for materials science to enhance its reasoning and computational capabilities. MatSciKB is a curated, structured knowledge collection based on reliable literature, while ToolHub employs an Inductive Tool Construction method to generate, decompose, and refine API tools for materials science. Additionally, HoneyComb leverages a retriever module that adaptively selects the appropriate knowledge source or tools for specific tasks, thereby ensuring accuracy and relevance. Our results demonstrate that HoneyComb significantly outperforms baseline models across various tasks in materials science, effectively bridging the gap between current LLM capabilities and the specialized needs of this domain. Furthermore, our adaptable framework can be easily extended to other scientific domains, highlighting its potential for broad applicability in advancing scientific research and applications.
Within the scaling laws paradigm, which underpins the training of large neural networks like ChatGPT and Llama, we consider a supervised reg… (see more)ression setting and establish the existance of a strong form of the model collapse phenomenon, a critical performance degradation due to synthetic data in the training corpus. Our results show that even the smallest fraction of synthetic data (e.g., as little as 1\% of the total training dataset) can still lead to model collapse: larger and larger training sets do not enhance performance. We further investigate whether increasing model size, an approach aligned with current trends in training large language models, exacerbates or mitigates model collapse. In a simplified regime where neural networks are approximated via random projections of tunable size, we both theoretically and empirically show that larger models can amplify model collapse. Interestingly, our theory also indicates that, beyond the interpolation threshold (which can be extremely high for very large datasets), larger models may mitigate the collapse, although they do not entirely prevent it. Our theoretical findings are empirically verified through experiments on language models and feed-forward neural networks for images.
Within the scaling laws paradigm, which underpins the training of large neural networks like ChatGPT and Llama, we consider a supervised reg… (see more)ression setting and establish the existance of a strong form of the model collapse phenomenon, a critical performance degradation due to synthetic data in the training corpus. Our results show that even the smallest fraction of synthetic data (e.g., as little as 1\% of the total training dataset) can still lead to model collapse: larger and larger training sets do not enhance performance. We further investigate whether increasing model size, an approach aligned with current trends in training large language models, exacerbates or mitigates model collapse. In a simplified regime where neural networks are approximated via random projections of tunable size, we both theoretically and empirically show that larger models can amplify model collapse. Interestingly, our theory also indicates that, beyond the interpolation threshold (which can be extremely high for very large datasets), larger models may mitigate the collapse, although they do not entirely prevent it. Our theoretical findings are empirically verified through experiments on language models and feed-forward neural networks for images.
Within the scaling laws paradigm, which underpins the training of large neural networks like ChatGPT and Llama, we consider a supervised reg… (see more)ression setting and establish the existance of a strong form of the model collapse phenomenon, a critical performance degradation due to synthetic data in the training corpus. Our results show that even the smallest fraction of synthetic data (e.g., as little as 1\% of the total training dataset) can still lead to model collapse: larger and larger training sets do not enhance performance. We further investigate whether increasing model size, an approach aligned with current trends in training large language models, exacerbates or mitigates model collapse. In a simplified regime where neural networks are approximated via random projections of tunable size, we both theoretically and empirically show that larger models can amplify model collapse. Interestingly, our theory also indicates that, beyond the interpolation threshold (which can be extremely high for very large datasets), larger models may mitigate the collapse, although they do not entirely prevent it. Our theoretical findings are empirically verified through experiments on language models and feed-forward neural networks for images.
During development, neural circuits are shaped continuously as we learn to control our bodies. The ultimate goal of this process is to produ… (see more)ce neural dynamics that enable the rich repertoire of behaviors we perform with our limbs. What begins as a series of “babbles” coalesces into skilled motor output as the brain rapidly learns to control the body. However, the nature of the teaching signal underlying this normative learning process remains elusive. Here, we test two well-established and biologically plausible theories—supervised learning (SL) and reinforcement learning (RL)—that could explain how neural circuits develop the capacity for skilled movements. We trained recurrent neural networks to control a biomechanical model of a primate arm using either SL or RL and compared the resulting neural dynamics to populations of neurons recorded from the motor cortex of monkeys performing the same movements. Intriguingly, only RL-trained networks produced neural activity that matched their biological counterparts in terms of both the geometry and dynamics of population activity. We show that the similarity between RL-trained networks and biological brains depends critically on matching biomechanical properties of the limb. We then demonstrated that monkeys and RL-trained networks, but not SL-trained networks, show a strikingly similar capacity for robust short-term behavioral adaptation to a movement perturbation, indicating a fundamental and general commonality in the neural control policy. Together, our results support the hypothesis that neural dynamics for behavioral control emerge through a process akin to reinforcement learning. The resulting neural circuits offer numerous advantages for adaptable behavioral control over simpler and more efficient learning rules and expand our understanding of how developmental processes shape neural dynamics.
