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An Identifiability Theory of Masked Prediction: Mode Blindness and Mask Schedules
Yichao Cai, Javen Qinfeng Shi
Masked prediction learns to infer missing variables from visible context selected by a mask schedule. When does small excess risk guarantee recovery of the true joint distribution?…
Reasoning Errors Have a Region and a Direction in the Residual-Stream Trajectory of LLMs
Hamed Damirchi, Ignacio Meza De la Jara, Damith Ranasinghe +2
As language models are increasingly used for tasks that require verifiable reasoning, reliably distinguishing sound reasoning from flawed reasoning has become an important practica…
Link prediction on multi-relational graphs from an influence propagation perspective
Zidu Yin, Yuankai Qi, Dong Gong +3
Predicting the existence and type of links (edges) between nodes in a multi-relational graph is key for applications from social interaction prediction to knowledge relationship id…
Boundary Embedding Shaping with Adaptive Contrastive Learning for Graph Structural Disentanglement
Jiaqing Chen, Zidu Yin, Yichao Cai +4
Graph neural networks (GNNs) excel at aggregating neighbor information for classification, yet their performance is hindered by graph structural entanglement, where spurious correl…
Learning Latent Dynamical Causal Processes for Single-Cell Perturbation Prediction
Wenkang Jiang, Yuhang Liu, Erdun Gao +3
Single-cell perturbation prediction aims to infer how cells respond to unseen interventions and to achieve out-of-distribution (OOD) generalization, providing a computational route…
What Makes a Representation Good for Single-Cell Perturbation Prediction?
Wenkang Jiang, Yuhang Liu, Yichao Cai +5
Single-cell perturbation modeling is fundamental for understanding and predicting cellular responses to genetic perturbations. However, existing approaches, from causal representat…
Chem4DLLM: 4D Multimodal LLMs for Chemical Dynamics Understanding
Xinyu Li, Zhen Zhang, Qi Chen +3
Existing chemical understanding tasks primarily rely on static molecular representations, limiting their ability to model inherently dynamic phenomena such as bond breaking or conf…
Truth as a Trajectory: What Internal Representations Reveal About Large Language Model Reasoning
Hamed Damirchi, Ignacio Meza De la Jara, Ehsan Abbasnejad +3
Existing explainability methods for Large Language Models (LLMs) typically treat hidden states as static points in activation space, assuming that correct and incorrect inferences…
Concept Component Analysis: A Principled Approach for Concept Extraction in LLMs
Yuhang Liu, Erdun Gao, Dong Gong +2
Developing human understandable interpretation of large language models (LLMs) becomes increasingly critical for their deployment in essential domains. Mechanistic interpretability…
The Geometric Mechanics of Contrastive Representation Learning: Alignment Potentials, Entropic Dispersion, and Cross-modal Divergence
Yichao Cai, Zhen Zhang, Yuhang Liu +1
While InfoNCE underlies modern contrastive learning, its geometric mechanisms remain under-characterized beyond the canonical alignment--uniformity decomposition. We develop a meas…