10 accepted papers
Geometric graph neural networks (Geo-GNNs) have revolutionized molecular dynamics (MD) simulations by providing accurate and fast energy and force predictions. However, minor prediction errors could still destabilize MD trajectories in real MD simulations due to the limited coverage of molecular con…
Ensuring fairness in medical vision-language models (VLMs) is essential for equitable healthcare, yet existing models amplify biases across demographic subgroups such as race and gender. Traditional fairness mitigation approaches relying on broad distribution alignment, fall short in addressing thes
Large-scale molecular dynamics simulations are essential in understanding chemical and biological processes, necessitating the accurate and efficient modeling of interatomic interactions. Existing learning-based methods generally are based on message passing mechanisms; they are either not scalable …
Decoding complex auditory experiences from non-invasive EEG is a rapidly emerging field that holds significant promise for advancing both fundamental neuroscience and human-machine interaction technologies. Recent developments in EEG foundation models have yielded powerful neural representations tha…
Recent advances in Large Reasoning Models have significantly improved chain-of-thought (CoT) capabilities via reinforcement learning (RL). However, generated reasoning chains frequently suffer from structural redundancy (i.e., \emph{overthinking}), incurring high computational overhead without impro…
This paper proposes a new 3D molecule generation framework, called GOAT, for fast and effective 3D molecule generation based on the flow-matching optimal transport objective. Specifically, we formulate a geometric transport formula for measuring the cost of mapping multi-modal features (e.g., contin…
The reasoning capabilities of large language models (LLMs) have advanced rapidly, particularly following the release of DeepSeek-R1, which has inspired a surge of research into data quality and reinforcement learning (RL) algorithms. Despite the pivotal role diversity plays in RL, its influence on L…
Model merging is a technique that combines multiple large pretrained models into a single model, enhancing performance and broadening task adaptability without original data or additional training. However, most existing model merging methods focus primarily on exploring the parameter space, merging…
Algorithm selection aims to identify the optimal performing algorithm before execution. Existing techniques typically focus on the observed correlations between algorithm performance and meta-features. However, little research has explored the underlying mechanisms of algorithm selection, specifical…
Deep neural networks are typically trained using global error signals that backpropagate (BP) end-to-end, which is not only biologically implausible but also suffers from the update locking problem and requires huge memory consumption. Local learning, which updates each layer independently with a gr…