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Model calibration seeks to ensure that models produce confidence scores that accurately reflect the true likelihood of their predictions being correct. However, existing calibration approaches are fundamentally tied to datasets of one-hot…
We present a hybrid model/model-free data-driven approach to solve poroelasticity problems. Extending the data-driven modeling framework originated from Kirchdoerfer and Ortiz (2016), we introduce one model-free and two hybrid…
HRA (Human Reliability Analysis) data is crucial for advancing HRA methodologies. however, existing data collection methods lack the necessary granularity, and most approaches fail to capture dynamic features. Additionally, many methods…
Understanding the thermal behavior of additive manufacturing (AM) processes is crucial for enhancing the quality control and enabling customized process design. Most purely physics-based computational models suffer from intensive…
Model-based deep learning solutions to inverse problems have attracted increasing attention in recent years as they bridge state-of-the-art numerical performance with interpretability. In addition, the incorporated prior domain knowledge…
Understanding the basins of attraction (BoA) is often a paramount consideration for nonlinear systems. Most existing approaches to determining a high-resolution BoA require prior knowledge of the system's dynamical model (e.g., differential…
Active Domain Adaptation (ADA) aims to maximally boost model adaptation in a new target domain by actively selecting a limited number of target data to annotate.This setting neglects the more practical scenario where training data are…
The widespread availability of off-the-shelf machine learning models poses a challenge: which model, of the many available candidates, should be chosen for a given data analysis task? This question of model selection is traditionally…
This paper proposes a novel higher-order multi-scale (HOMS) computational method, which is highly targeted for efficient, high-accuracy and low-computational-cost simulation of hygro-thermo-mechanical (H-T-M) coupling problems in…
Real-world multimodal machine learning often faces missing, costly-to-acquire modalities, raising the problem of which samples to prioritize for additional acquisition under a budget. Prior work mainly studies per-sample or training-time…
To reduce the experimental validation workload for chemical researchers and accelerate the design and optimization of high-energy-density lithium metal batteries, we aim to leverage models to automatically predict Coulombic Efficiency (CE)…
The accurate trust assessment of multimodal large language models (MLLMs) generated predictions, which can enable selective prediction and improve user confidence, is challenging due to the diverse multi-modal input paradigms. We propose…
Unlabeled data are increasingly prevalent in contemporary economic studies, yet their effective use for improving prediction remains challenging because the outcomes are often costly or even infeasible to observe. Machine learning methods…
Effective planning of long-horizon deformable object manipulation requires suitable abstractions at both the spatial and temporal levels. Previous methods typically either focus on short-horizon tasks or make strong assumptions that…
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,…
Designing shape memory alloys (SMAs) that meet performance targets while remaining affordable and sustainable is a complex challenge. In this work, we focus on optimizing SMA compositions to achieve a desired martensitic start temperature…
Many training data attribution (TDA) methods aim to estimate how a model's behavior would change if one or more data points were removed from the training set. Methods based on implicit differentiation, such as influence functions, can be…
Recent years have seen the introduction of a range of methods for post-hoc explainability of image classifier predictions. However, these post-hoc explanations may not always be faithful to classifier predictions, which poses a significant…
Mechanical and thermodynamic properties, including the influence of crystal defects, are critical for evaluating materials in engineering applications. Molecular dynamics simulations provide valuable insight into these mechanisms at the…
Anomaly detection is an important task for complex systems (e.g., industrial facilities, manufacturing, large-scale science experiments), where failures in a sub-system can lead to low yield, faulty products, or even damage to components.…