7 accepted papers
Key-Value (KV) cache plays a pivotal role in accelerating inference in large language models (LLMs) by storing intermediate attention outputs, thereby avoiding redundant computation during auto-regressive generation. However, the cache's memory footprint scales linearly with sequence length, often r…
The goal of domain adaptation is to make predictions for unlabeled samples from a target domain with the help of labeled samples from a different but related source domain. The performance of domain adaptation methods is highly influenced by the choice of source domain and pre-trained feature extrac…
Many generative applications, such as synthesis-based 3D molecular design, involve constructing compositional objects with continuous features. Here, we introduce Compositional Generative Flows (CGFlow), a novel framework that extends flow matching to generate objects in compositional steps while mo…
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 scenarios. In this paper, we propose RxnFlow, which sequentiall…
Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as unnormalized distributions. Previous works in this framework often restrict exploration by using predefined molecular fr…
Individual treatment effect (ITE) estimation requires adjusting for the covariate shift between populations with different treatments, and deep representation learning has shown great promise in learning a balanced representation of covariates. However the existing methods mostly consider the scenar…
One limitation of existing Transformer-based models is that they cannot handle very long sequences as input since their self-attention operations exhibit quadratic time and space complexity. This problem becomes especially acute when Transformers are deployed on hardware platforms equipped only with…