Yisong Yue

Fengze Xie, Sizhe Wei, Yue Song et al. · gatech

We present a morphological-symmetry-equivariant heterogeneous graph neural network, namely MS-HGNN, for robotic dynamics learning, that integrates robotic kinematic structures and morphological symmetries into a single graph network. These structural priors are embedded into the learning architecture as constraints, ensuring high generalizability, sample and model efficiency. The proposed MS-HGNN is a versatile and general architecture that is applicable to various multi-body dynamic systems and a wide range of dynamics learning problems. We formally prove the morphological-symmetry-equivariant property of our MS-HGNN and validate its effectiveness across multiple quadruped robot learning problems using both real-world and simulated data. Our code is made publicly available at https://github.com/lunarlab-gatech/MorphSym-HGNN/.

Fanzeng Xia, Hao Liu, Yisong Yue et al.

In-Context Reinforcement Learning (ICRL) is a frontier paradigm to solve Reinforcement Learning (RL) problems in the foundation model era. While ICRL capabilities have been demonstrated in transformers through task-specific training, the potential of Large Language Models (LLMs) out-of-the-box remains largely unexplored. This paper investigates whether LLMs can generalize cross-domain to perform ICRL under the problem of Dueling Bandits (DB), a stateless preference-based RL setting. We find that the top-performing LLMs exhibit a notable zero-shot capacity for relative decision-making, which translates to low short-term weak regret across all DB environment instances by quickly including the best arm in duels. However, an optimality gap still exists between LLMs and classic DB algorithms in terms of strong regret. LLMs struggle to converge and consistently exploit even when explicitly prompted to do so, and are sensitive to prompt variations. To bridge this gap, we propose an agentic flow framework: LLM with Enhanced Algorithmic Dueling (LEAD), which integrates off-the-shelf DB algorithm support with LLM agents through fine-grained adaptive interplay. We show that LEAD has theoretical guarantees inherited from classic DB algorithms on both weak and strong regret. We validate its efficacy and robustness even with noisy and adversarial prompts. The design of such an agentic framework sheds light on how to enhance the trustworthiness of general-purpose LLMs generalized to in-context decision-making tasks.

Damiano Marsili, Rohun Agrawal, Yisong Yue et al.

Visual reasoning -- the ability to interpret the visual world -- is crucial for embodied agents that operate within three-dimensional scenes. Progress in AI has led to vision and language models capable of answering questions from images. However, their performance declines when tasked with 3D spatial reasoning. To tackle the complexity of such reasoning problems, we introduce an agentic program synthesis approach where LLM agents collaboratively generate a Pythonic API with new functions to solve common subproblems. Our method overcomes limitations of prior approaches that rely on a static, human-defined API, allowing it to handle a wider range of queries. To assess AI capabilities for 3D understanding, we introduce a new benchmark of queries involving multiple steps of grounding and inference. We show that our method outperforms prior zero-shot models for visual reasoning in 3D and empirically validate the effectiveness of our agentic framework for 3D spatial reasoning tasks. Project website: https://glab-caltech.github.io/vadar/

Lauren Hyoseo Yoon, Yisong Yue, Been Kim

Independently trained vision and language models inhabit disjoint representational spaces, shaped by their respective modalities, objectives, and architectures. The Platonic Representation Hypothesis (PRH) suggests these models may nonetheless converge toward a shared statistical model of reality. This raises a fundamental question: can we move beyond post-hoc detection of such alignment and explicitly optimize for it? We argue this challenge is most critical in fine-grained contextual distinctions-where multiple descriptions share global semantics but differ in subtle compositional details. We address this with the Joint Autoencoder Modulator (JAM), which aligns frozen unimodal models by jointly training modality-specific autoencoders with coordinated reconstruction and cross-modal alignment objectives. We systematically evaluate JAM across three design axes: (i) alignment objectives, introducing our multimodal Spread Loss that outperforms classic contrastive methods; (ii) the layer depth at which alignment is most effective; and (iii) the role of foundation model scale in representational convergence. Our findings show that JAM reliably induces alignment even across independently trained representations, offering both theoretical insight into the structure of shared semantics and practical guidance for transforming generalist unimodal foundations into specialist multimodal models.

Serim Ryou, Michael R. Maser, Alexander Y. Cui et al.

We present a systematic investigation using graph neural networks (GNNs) to model organic chemical reactions. To do so, we prepared a dataset collection of four ubiquitous reactions from the organic chemistry literature. We evaluate seven different GNN architectures for classification tasks pertaining to the identification of experimental reagents and conditions. We find that models are able to identify specific graph features that affect reaction conditions and lead to accurate predictions. The results herein show great promise in advancing molecular machine learning.