Kaiyuan Hou

Lilin Xu, Bufang Yang, Siyang Jiang et al.

Procedural tasks with multiple ordered steps are ubiquitous in daily life. Recent advances in multimodal large language models (MLLMs) have enabled personal assistants that support daily activities. However, existing systems primarily provide reactive guidance triggered by user queries, or limited proactive assistance for isolated short-term events rather than long-horizon procedural tasks. In this work, we introduce Pro$^2$Assist, a step-aware proactive assistant that continuously tracks fine-grained task progress and reasons over the user's evolving state to provide timely assistance throughout tasks. Pro$^2$Assist leverages multimodal data from augmented reality (AR) glasses to achieve motion-based perception. It then extracts step-oriented procedural context from multi-scale temporal dynamics and task-specific expert knowledge. Based on both sensory input and procedural context, Pro$^2$Assist performs continuous reasoning to infer user needs and display timely assistance on AR glasses. We evaluate Pro$^2$Assist using a dataset curated from public sources and a real-world dataset collected on our testbed with AR glasses. Extensive evaluations show that Pro$^2$Assist outperforms the best-performing baselines by over 21% in procedural action understanding accuracy, and it achieves up to 2.29x the proactive timing accuracy of baselines. A user study with 20 participants further shows that 90% find Pro$^2$Assist useful, indicating its effectiveness for real-world procedural assistance.

Kaiyuan Hou, Minghui Zhao, Lilin Xu et al.

Top-down images play an important role in safety-critical settings such as autonomous navigation and aerial surveillance, where they provide holistic spatial information that front-view images cannot capture. Despite this, Vision Language Models (VLMs) are mostly trained and evaluated on front-view benchmarks, leaving their performance in the top-down setting poorly understood. Existing evaluations also overlook a unique property of top-down images: their physical meaning is preserved under rotation. In addition, conventional accuracy metrics can be misleading, since they are often inflated by hallucinations or "lucky guesses", which obscures a model's true reliability and its grounding in visual evidence. To address these issues, we introduce TDBench, a benchmark for top-down image understanding that includes 2000 curated questions for each rotation. We further propose RotationalEval (RE), which measures whether models provide consistent answers across four rotated views of the same scene, and we develop a reliability framework that separates genuine knowledge from chance. Finally, we conduct four case studies targeting underexplored real-world challenges. By combining rigorous evaluation with reliability metrics, TDBench not only benchmarks VLMs in top-down perception but also provides a new perspective on trustworthiness, guiding the development of more robust and grounded AI systems. Project homepage: https://github.com/Columbia-ICSL/TDBench

Tao Li, Kaiyuan Hou, Tuan Vinh et al.

Lead optimization in drug discovery requires improving therapeutic properties while ensuring that proposed molecular modifications correspond to feasible synthetic routes. Existing approaches either prioritize property scores without enforcing synthesizability, or rely on expensive enumeration over large reaction networks, while direct application of Large Language Models (LLMs) frequently produces chemically invalid structures. We introduce MolReAct, a framework that formulates lead optimization as a Markov Decision Process over a synthesis-constrained action space defined by validated reaction templates. A tool-augmented LLM agent serves as a dynamic reaction environment that invokes specialized chemical analysis tools to identify reactive sites and propose chemically grounded transformations from matched templates. A policy model trained via Group Relative Policy Optimization (GRPO) selects among these constrained actions to maximize long-term oracle reward across multi-step reaction trajectories. A SMILES-based caching mechanism further reduces end-to-end optimization time by approximately 43%. Across 13 property optimization tasks from the Therapeutic Data Commons and one structure-based docking task, MolReAct achieves an average Top-10 score of 0.563, outperforming the strongest synthesizable baseline by 10.4% in relative improvement, and attains the best sample efficiency on 10 of 14 tasks. Ablations confirm that both tool-augmented reaction proposals and trajectory-level policy optimization contribute complementary gains. By grounding every step in validated reaction templates, MolReAct produces molecules that are property-improved and each accompanied by an explicit synthetic pathway.

Tao Li, Kaiyuan Hou, Tuan Vinh et al.

Deep models are used for molecular property prediction, yet they are often difficult to interpret and may rely on spurious context rather than causal structure, which reduces reliability under distribution shift and harms predictive performance. We introduce CLaP (Causal Layerwise Peeling), a framework that separates causal signal from context in a layerwise manner and integrates diverse graph representations of molecules. At each layer, a causal block performs a soft split into causal and non-causal branches, fuses causal evidence across modalities, and progressively removes batch-coupled context to focus on label-relevant structure, thereby limiting shortcut signals and stabilizing layerwise refinement. Across four molecular benchmarks, CLaP consistently improves MAE, MSE, and $R^2$ over competitive baselines. The model also produces atom-level causal saliency maps that highlight substructures responsible for predictions, providing actionable guidance for targeted molecular edits. Case studies confirm the accuracy of these maps and their alignment with chemical intuition. By peeling context from cause at every layer, the model yields predictors that are both accurate and interpretable for molecular design.

Lilin Xu, Kaiyuan Hou, Xiaofan Jiang

Human activity recognition (HAR) using inertial measurement units (IMUs) increasingly leverages large language models (LLMs), yet existing approaches focus on coarse activities like walking or running. Our preliminary study indicates that pretrained LLMs fail catastrophically on fine-grained HAR tasks such as air-written letter recognition, achieving only near-random guessing accuracy. In this work, we first bridge this gap for flat-surface writing scenarios: by fine-tuning LLMs with a self-collected dataset and few-shot learning, we achieved up to a 129x improvement on 2D data. To extend this to 3D scenarios, we designed an encoder-based pipeline that maps 3D data into 2D equivalents, preserving the spatiotemporal information for robust letter prediction. Our end-to-end pipeline achieves 78% accuracy on word recognition with up to 5 letters in mid-air writing scenarios, establishing LLMs as viable tools for fine-grained HAR.

Minghui Zhao, Junxi Xia, Kaiyuan Hou et al.

Foundation models (FM) have shown immense human-like capabilities for generating digital media. However, foundation models that can freely sense, interact, and actuate the physical domain is far from being realized. This is due to 1) requiring dense deployments of sensors to fully cover and analyze large spaces, while 2) events often being localized to small areas, making it difficult for FMs to pinpoint relevant areas of interest relevant to the current task. We propose FlexiFly, a platform that enables FMs to ``zoom in'' and analyze relevant areas with higher granularity to better understand the physical environment and carry out tasks. FlexiFly accomplishes by introducing 1) a novel image segmentation technique that aids in identifying relevant locations and 2) a modular and reconfigurable sensing and actuation drone platform that FMs can actuate to ``zoom in'' with relevant sensors and actuators. We demonstrate through real smart home deployments that FlexiFly enables FMs and LLMs to complete diverse tasks up to $85\%$ more successfully. FlexiFly is critical step towards FMs and LLMs that can naturally interface with the physical world.