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Prompt learning is a new learning paradigm which reformulates downstream tasks as similar pretraining tasks on pretrained models by leveraging textual prompts. Recent works have demonstrated that prompt learning is particularly useful for…
Prompt-based fine-tuning has boosted the performance of Pre-trained Language Models (PLMs) on few-shot text classification by employing task-specific prompts. Yet, PLMs are unfamiliar with prompt-style expressions during pre-training, which…
Machine learning plays an important and growing role in molecular simulation. The newest version of the OpenMM molecular dynamics toolkit introduces new features to support the use of machine learning potentials. Arbitrary PyTorch models…
Prompt tuning prepends a soft prompt to the input embeddings or hidden states and only optimizes the prompt to adapt pretrained models (PTMs) to downstream tasks. The previous work manually selects prompt layers which are far from optimal…
Often the development of novel functional peptides is not amenable to high throughput or purely computational screening methods. Peptides must be synthesized one at a time in a process that does not generate large amounts of data. One way…
Pre-trained large language models can efficiently interpolate human-written prompts in a natural way. Multitask prompted learning can help generalization through a diverse set of tasks at once, thus enhancing the potential for more…
Simulating the dynamics of ions near polarizable nanoparticles (NPs) using coarse-grained models is extremely challenging due to the need to solve the Poisson equation at every simulation timestep. Recently, a molecular dynamics (MD) method…
Event-driven molecular dynamics is a valuable tool in condensed and soft matter physics when particles can be modeled as hard objects or more generally if their interaction potential can be modeled in a stepwise fashion. Hard spheres model…
Temperature is a fundamental regulator of chemical and biochemical kinetics, yet capturing nonlinear thermal effects directly from experimental data remains a major challenge due to limited throughput and model flexibility. Recent advances…
Deep neural networks can yield good performance on various tasks but often require large amounts of data to train them. Meta-learning received considerable attention as one approach to improve the generalization of these networks from a…
Finetuning on domain-specific data is a well-established method for enhancing LLM performance on downstream tasks. Training on each dataset produces a new set of model weights, resulting in a multitude of checkpoints saved in-house or on…
Continual pre-training has been urgent for adapting a pre-trained model to a multitude of domains and tasks in the fast-evolving world. In practice, a continually pre-trained model is expected to demonstrate not only greater capacity when…
A new self-learning algorithm for accelerated dynamics, reconnaissance metadynamics, is proposed that is able to work with a very large number of collective coordinates. Acceleration of the dynamics is achieved by constructing a bias…
The mainstream paradigm behind continual learning has been to adapt the model parameters to non-stationary data distributions, where catastrophic forgetting is the central challenge. Typical methods rely on a rehearsal buffer or known task…
Prompt tuning approaches, which learn task-specific soft prompts for a downstream task conditioning on frozen pre-trained models, have attracted growing interest due to its parameter efficiency. With large language models and sufficient…
Medical image segmentation is a vital healthcare endeavor requiring precise and efficient models for appropriate diagnosis and treatment. Vision transformer (ViT)-based segmentation models have shown great performance in accomplishing this…
Going beyond mere fine-tuning of vision-language models (VLMs), learnable prompt tuning has emerged as a promising, resource-efficient alternative. Despite their potential, effectively learning prompts faces the following challenges: (i)…
The goal of few-shot learning is to generalize and achieve high performance on new unseen learning tasks, where each task has only a limited number of examples available. Gradient-based meta-learning attempts to address this challenging…
The objective of this work is to explore how to effectively and efficiently adapt pre-trained visual foundation models to various downstream tasks of semantic segmentation. Previous methods usually fine-tuned the entire networks for each…
Mixture-of-Experts (MoE) models have shown remarkable capability in instruction tuning, especially when the number of tasks scales. However, previous methods simply merge all training tasks (e.g. creative writing, coding, and mathematics)…