Related papers: Large Language-Geometry Model: When LLM meets Equi…

In recent years, large language models (LLMs) have made remarkable progress, with model optimization primarily relying on gradient-based optimizers such as Adam. However, these gradient-based methods impose stringent hardware requirements,…

We show that large language models (LLMs) are remarkably good at working with interpretable models that decompose complex outcomes into univariate graph-represented components. By adopting a hierarchical approach to reasoning, LLMs can…

Geometric deep learning enables the encoding of physical symmetries in modeling 3D objects. Despite rapid progress in encoding 3D symmetries into Graph Neural Networks (GNNs), a comprehensive evaluation of the expressiveness of these…

Large Language Models (LLMs) drive current AI breakthroughs despite very little being known about their internal representations. In this work, we propose to shed the light on LLMs inner mechanisms through the lens of geometry. In…

Humans naturally understand 3D spatial relationships, enabling complex reasoning like predicting collisions of vehicles from different directions. Current large multimodal models (LMMs), however, lack of this capability of 3D spatial…

Recent 3D Large-Language Models (3D-LLMs) claim to understand 3D worlds, especially spatial relationships among objects. Yet, we find that simply fine-tuning a language model on text-only question-answer pairs can perform comparably or even…

Neural networks that incorporate geometric relationships respecting SE(3) group transformations (e.g. rotations and translations) are increasingly important in molecular applications, such as molecular property prediction, protein structure…

Generating and editing a 3D scene guided by natural language poses a challenge, primarily due to the complexity of specifying the positional relations and volumetric changes within the 3D space. Recent advancements in Large Language Models…

Large language models (LLMs) are increasingly evaluated on mathematical reasoning, yet their robustness to equivalent problem representations remains poorly understood. In geometry, identical problems can be expressed in Euclidean,…

Despite significant progress in transformer interpretability, an understanding of the computational mechanisms of large language models (LLMs) remains a fundamental challenge. Many approaches interpret a network's hidden representations but…

Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of…

Understanding the latent space geometry of large language models (LLMs) is key to interpreting their behavior and improving alignment. Yet it remains unclear to what extent LLMs linearly organize representations related to semantic…

Large language models (LLMs) such as ChatGPT, Gemini, LlaMa, and Claude are trained on massive quantities of text parsed from the internet and have shown a remarkable ability to respond to complex prompts in a manner often indistinguishable…

Machine learning interatomic potentials trained on first-principles reference data are becoming valuable tools for computational physics, biology, and chemistry. Equivariant message-passing neural networks, including transformers, achieve…

Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Large language models (LLMs) have undergone significant expansion and have been increasingly integrated across various domains. Notably, in the realm of robot task planning, LLMs harness their advanced reasoning and language comprehension…

Graphs are an essential data structure utilized to represent relationships in real-world scenarios. Prior research has established that Graph Neural Networks (GNNs) deliver impressive outcomes in graph-centric tasks, such as link prediction…

Large vision language models (LVLM) are the leading A.I approach for achieving a general visual understanding of the world. Models such as GPT, Claude, Gemini, and LLama can use images to understand and analyze complex visual scenes. 3D…

Including covariant information, such as position, force, velocity or spin is important in many tasks in computational physics and chemistry. We introduce Steerable E(3) Equivariant Graph Neural Networks (SEGNNs) that generalise equivariant…

While multi-modality large language models excel in object-centric or indoor scenarios, scaling them to 3D city-scale environments remains a formidable challenge. To bridge this gap, we propose 3DCity-LLM, a unified framework designed for…