Related papers: Improving realistic material property prediction u…
Modern models that perform system-critical tasks such as segmentation and localization exhibit good performance and robustness under ideal conditions (i.e. daytime, overcast) but performance degrades quickly and often catastrophically when…
Evaluating the performance of deep models in new scenarios has drawn increasing attention in recent years. However, while it is possible to collect data from new scenarios, the annotations are not always available. Existing DAOD methods…
The advancement of Large Language Models (LLMs) for domain applications in fields such as materials science and engineering depends on the development of fine-tuning strategies that adapt models for specialized, technical capabilities. In…
Many deep reinforcement learning algorithms contain inductive biases that sculpt the agent's objective and its interface to the environment. These inductive biases can take many forms, including domain knowledge and pretuned…
Partial Domain adaptation (PDA) aims to solve a more practical cross-domain learning problem that assumes target label space is a subset of source label space. However, the mismatched label space causes significant negative transfer. A…
Discovery of high-performance materials and molecules requires identifying extremes with property values that fall outside the known distribution. Therefore, the ability to extrapolate to out-of-distribution (OOD) property values is…
ML models deployed in production often have to face unknown domain changes, fundamentally different from their training settings. Performance prediction models carry out the crucial task of measuring the impact of these changes on model…
Recent advances on unsupervised domain adaptation (UDA) rely on adversarial learning to disentangle the explanatory and transferable features for domain adaptation. However, there are two issues with the existing methods. First, the…
We use information-theoretic tools to derive a novel analysis of Multi-source Domain Adaptation (MDA) from the representation learning perspective. Concretely, we study joint distribution alignment for supervised MDA with few target labels…
Domain adaptation for object detection (DAOD) has recently drawn much attention owing to its capability of detecting target objects without any annotations. To tackle the problem, previous works focus on aligning features extracted from…
Introduction: Computational modeling has rapidly advanced over the last decades, especially to predict molecular properties for chemistry, material science and drug design. Recently, machine learning techniques have emerged as a powerful…
Domain Adaptation (DA) aims to generalize the classifier learned from the source domain to the target domain. Existing DA methods usually assume that rich labels could be available in the source domain. However, there are usually a large…
Machine/deep learning models have been widely adopted for predicting the configuration performance of software systems. However, a crucial yet unaddressed challenge is how to cater for the sparsity inherited from the configuration…
Protein mutations can have profound effects on biological function, making accurate prediction of property changes critical for drug discovery, protein engineering, and precision medicine. Current approaches rely on fine-tuning…
In many scenarios of practical interest, labeled data from a target distribution are scarce while labeled data from a related source distribution are abundant. One particular setting of interest arises when the target label space is a…
Large pre-trained models are usually fine-tuned on downstream task data, and tested on unseen data. When the train and test data come from different domains, the model is likely to struggle, as it is not adapted to the test domain. We…
Data science and artificial intelligence are playing an increasingly important role in the physical sciences. Unfortunately, in the field of energetic materials data scarcity limits the accuracy and even applicability of ML tools. To…
In recent years, machine learning (ML) has been proposed to devise data-driven parametrisations of unresolved processes in dynamical numerical models. In most cases, the ML training leverages high-resolution simulations to provide a dense,…
Unsupervised Domain Adaptation (DA) exploits the supervision of a label-rich source dataset to make predictions on an unlabeled target dataset by aligning the two data distributions. In robotics, DA is used to take advantage of…
Recently, we have been witnessing an increasing use of machine learning methods in self-adaptive systems. Machine learning methods offer a variety of use cases for supporting self-adaptation, e.g., to keep runtime models up to date, reduce…