相关论文: Driving Reaction Trajectories via Latent Flow Matc…

Chemical reaction prediction is pivotal for accelerating drug discovery and synthesis planning. Despite advances in data-driven models, current approaches are hindered by an overemphasis on parameter and dataset scaling. Some methods…

Autonomous driving requires reasoning about interactions with surrounding traffic. A prevailing approach is large-scale imitation learning on expert driving datasets, aimed at generalizing across diverse real-world scenarios. For online…

Recently, world models have been incorporated into the autonomous driving systems to improve the planning reliability. Existing approaches typically predict future states through appearance generation or deterministic regression, which…

Accurate characterization of the equilibrium distributions of complex molecular systems and their dependence on environmental factors such as temperature is essential for understanding thermodynamic properties and transition mechanisms.…

Efficient and accurate motion prediction is crucial for ensuring safety and informed decision-making in autonomous driving, particularly under dynamic real-world conditions that necessitate multi-modal forecasts. We introduce TrajFlow, a…

Continual learning in robotics seeks systems that can constantly adapt to changing environments and tasks, mirroring human adaptability. A key challenge is refining dynamics models, essential for planning and control, while addressing…

Human action-reaction synthesis, a fundamental challenge in modeling causal human interactions, plays a critical role in applications ranging from virtual reality to social robotics. While diffusion-based models have demonstrated promising…

Sequential probabilistic inference from streaming observations requires modeling distributions over future trajectories as new observations arrive. Although diffusion and flow-matching models are effective at capturing high-dimensional,…

Remote sensing change detection (RSCD) aims to localise changes between two images of the same geographic region. In practice, change masks often follow region-level annotation conventions rather than purely local appearance differences,…

Reaction diagram parsing is the task of extracting reaction schemes from a diagram in the chemistry literature. The reaction diagrams can be arbitrarily complex, thus robustly parsing them into structured data is an open challenge. In this…

Reliably predicting the products of chemical reactions presents a fundamental challenge in synthetic chemistry. Existing machine learning approaches typically produce a reaction product by sequentially forming its subparts or intermediate…

Flow matching is a recent framework to train generative models that exhibits impressive empirical performance while being relatively easier to train compared with diffusion-based models. Despite its advantageous properties, prior methods…

Generative models have become increasingly powerful tools for robot motion generation, enabling flexible and multimodal trajectory generation across various tasks. Yet, most existing approaches remain limited in handling multiple types of…

Accurately predicting chemical reaction outcomes and potential byproducts is a fundamental task of modern chemistry, enabling the efficient design of synthetic pathways and driving progress in chemical science. Reaction mechanism, which…

Flow-matching models deliver state-of-the-art fidelity in image and video generation, but the inherent sequential denoising process renders them slower. Existing acceleration methods like distillation, trajectory truncation, and consistency…

3D human reaction generation faces three main challenges:(1) high motion fidelity, (2) real-time inference, and (3) autoregressive adaptability for online scenarios. Existing methods fail to meet all three simultaneously. We propose…

In high-stakes domains such as healthcare and finance, effective decision-making demands not just accurate outcomes but transparent and explainable reasoning. However, current language models often lack the structured deliberation needed…

Many biological systems evolve through continuous local dynamics while switching between latent regimes defined by learning, stimulus context, internal state, or developmental stage. These processes are often observed only as unpaired…

Generative models in drug discovery have recently gained attention as efficient alternatives to brute-force virtual screening. However, most existing models do not account for synthesizability, limiting their practical use in real-world…

A fundamental problem in organic chemistry is identifying and predicting the series of reactions that synthesize a desired target product molecule. Due to the combinatorial nature of the chemical search space, single-step reactant…