8.6LGMay 1
Free Energy Surface Sampling via Reduced Flow MatchingZichen Liu, Tiejun Li
Sampling the free energy surface, namely, the distribution of collective variables (CVs), is a crucial problem in statistical physics, as it underpins a better understanding of chemical reactions and conformational transitions. Traditional methods for free energy surface sampling involve simulation in high-dimensional configuration space and projecting the resulting configurations onto the CV space. To reduce the computational costs of such sampling, we propose FES-FM, a reduced flow matching (FM) method for free energy sampling (FES). We train a dynamical transport map in the CV space, thereby enabling direct sampling of the free energy surface. For many-particle systems, we construct a prior distribution based on the Hessian at a local minimum of the potential, which ensures both rotation-translation invariance and physically meaningful configurations. We evaluate the proposed method across a variety of potential functions and collective variables. Comparative experiments demonstrate that our approach drastically reduces computational costs while delivering superior accuracy per unit sampling time.
Selective Visual Prompting in Vision MambaYifeng Yao, Zichen Liu, Zhenyu Cui et al.
Pre-trained Vision Mamba (Vim) models have demonstrated exceptional performance across various computer vision tasks in a computationally efficient manner, attributed to their unique design of selective state space models. To further extend their applicability to diverse downstream vision tasks, Vim models can be adapted using the efficient fine-tuning technique known as visual prompting. However, existing visual prompting methods are predominantly tailored for Vision Transformer (ViT)-based models that leverage global attention, neglecting the distinctive sequential token-wise compression and propagation characteristics of Vim. Specifically, existing prompt tokens prefixed to the sequence are insufficient to effectively activate the input and forget gates across the entire sequence, hindering the extraction and propagation of discriminative information. To address this limitation, we introduce a novel Selective Visual Prompting (SVP) method specifically for the efficient fine-tuning of Vim. To prevent the loss of discriminative information during state space propagation, SVP employs lightweight selective prompters for token-wise prompt generation, ensuring adaptive activation of the update and forget gates within Mamba blocks to promote discriminative information propagation. Moreover, considering that Vim propagates both shared cross-layer information and specific inner-layer information, we further refine SVP with a dual-path structure: Cross-Prompting and Inner-Prompting. Cross-Prompting utilizes shared parameters across layers, while Inner-Prompting employs distinct parameters, promoting the propagation of both shared and specific information, respectively. Extensive experimental results on various large-scale benchmarks demonstrate that our proposed SVP significantly outperforms state-of-the-art methods. Our code is available at https://github.com/zhoujiahuan1991/AAAI2025-SVP.
20.9CLFeb 18, 2025
Sailor2: Sailing in South-East Asia with Inclusive Multilingual LLMsLongxu Dou, Qian Liu, Fan Zhou et al.
Sailor2 is a family of cutting-edge multilingual language models for South-East Asian (SEA) languages, available in 1B, 8B, and 20B sizes to suit diverse applications. Building on Qwen2.5, Sailor2 undergoes continuous pre-training on 500B tokens (400B SEA-specific and 100B replay tokens) to support 13 SEA languages while retaining proficiency in Chinese and English. Sailor2-20B model achieves a 50-50 win rate against GPT-4o across SEA languages. We also deliver a comprehensive cookbook on how to develop the multilingual model in an efficient manner, including five key aspects: data curation, pre-training, post-training, model customization and evaluation. We hope that Sailor2 model (Apache 2.0 license) will drive language development in the SEA region, and Sailor2 cookbook will inspire researchers to build more inclusive LLMs for other under-served languages.