相关论文: Active learning for affinity prediction of antibod…

Active learning is a machine learning paradigm that aims to improve the performance of a model by strategically selecting and querying unlabeled data. One effective selection strategy is to base it on the model's predictive uncertainty,…

Improving performance in multiple domains is a challenging task, and often requires significant amounts of data to train and test models. Active learning techniques provide a promising solution by enabling models to select the most…

While deep learning is a powerful tool for natural language processing (NLP) problems, successful solutions to these problems rely heavily on large amounts of annotated samples. However, manually annotating data is expensive and…

Active Learning (AL) is a human-in-the-loop framework to interactively and adaptively label data instances, thereby enabling significant gains in model performance compared to random sampling. AL approaches function by selecting the hardest…

Ordering the selection of training data using active learning can lead to improvements in learning efficiently from smaller corpora. We present an exploration of active learning approaches applied to three grounded language problems of…

Extracting consistent statistics between relevant free-energy minima of a molecular system is essential for physics, chemistry and biology. Molecular dynamics (MD) simulations can aid in this task but are computationally expensive,…

The deployment of autonomous AI agents in derivatives markets has widened a practical gap between static model calibration and realized hedging outcomes. We introduce two reinforcement learning frameworks, a novel Replication Learning of…

The central tenet of reinforcement learning (RL) is that agents seek to maximize the sum of cumulative rewards. In contrast, active inference, an emerging framework within cognitive and computational neuroscience, proposes that agents act…

Affinity maturation produces antibodies that bind antigens with high specificity by accumulating mutations in the antibody sequence. Mapping out the antibody-antigen affinity landscape can give us insight into the accessible paths during…

Active learning is able to reduce the amount of labelling effort by using a machine learning model to query the user for specific inputs. While there are many papers on new active learning techniques, these techniques rarely satisfy the…

Classification models are a fundamental component of physical-asset management technologies such as structural health monitoring (SHM) systems and digital twins. Previous work introduced risk-based active learning, an online approach for…

Reinforcement learning has achieved great success in various applications. To learn an effective policy for the agent, it usually requires a huge amount of data by interacting with the environment, which could be computational costly and…

Accurate free energy representations are crucial for understanding phase dynamics in materials. We employ a scale-bridging approach to incorporate atomistic information into our free energy model by training a neural network on DFT-informed…

Preference-based reinforcement learning has gained prominence as a strategy for training agents in environments where the reward signal is difficult to specify or misaligned with human intent. However, its effectiveness is often limited by…

As large language models (LLMs) become more capable, fine-tuning techniques for aligning with human intent are increasingly important. A key consideration for aligning these models is how to most effectively use human resources, or model…

Deep Learning has revolutionized machine learning and artificial intelligence, achieving superhuman performance in several standard benchmarks. It is well-known that deep learning models are inefficient to train; they learn by processing…

Unsupervised learning of generative models has seen tremendous progress over recent years, in particular due to generative adversarial networks (GANs), variational autoencoders, and flow-based models. GANs have dramatically improved sample…

Recently numerous machine learning based methods for combinatorial optimization problems have been proposed that learn to construct solutions in a sequential decision process via reinforcement learning. While these methods can be easily…

Given the widespread use of deep learning models in safety-critical applications, ensuring that the decisions of such models are robust against adversarial exploitation is of fundamental importance. In this thesis, we discuss recent…

Intelligent agents must pursue their goals in complex environments with partial information and often limited computational capacity. Reinforcement learning methods have achieved great success by creating agents that optimize engineered…