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Turning pass-through network architectures into iterative ones, which use their own output as input, is a well-known approach for boosting performance. In this paper, we argue that such architectures offer an additional benefit: The…

Artificial Intelligence · Computer Science 2025-05-27 Nikita Durasov , Doruk Oner , Jonathan Donier , Hieu Le , Pascal Fua

Efficiently and meaningfully estimating prediction uncertainty is important for exploration in active learning campaigns in materials discovery, where samples with high uncertainty are interpreted as containing information missing from the…

Materials Science · Physics 2025-11-25 Ashley S. Dale , Kangming Li , Brian DeCost , Hao Wan , Yuchen Han , Yao Fehlis , Jason Hattrick-Simpers

Aligning large language models (LLMs) with human preferences through reinforcement learning (RLHF) can lead to reward hacking, where LLMs exploit failures in the reward model (RM) to achieve seemingly high rewards without meeting the…

Machine Learning · Computer Science 2024-01-23 Alexandre Ramé , Nino Vieillard , Léonard Hussenot , Robert Dadashi , Geoffrey Cideron , Olivier Bachem , Johan Ferret

Large language models (LLMs) still struggle across tasks outside of high-resource languages. In this work, we investigate cross-lingual transfer to lower-resource languages where task-specific post-training data is scarce. Building on prior…

Computation and Language · Computer Science 2025-10-09 Lucas Bandarkar , Nanyun Peng

Achieving balanced alignment of large language models (LLMs) in terms of Helpfulness, Honesty, and Harmlessness (3H optimization) constitutes a cornerstone of responsible AI. Existing methods like data mixture strategies face limitations,…

Computation and Language · Computer Science 2026-02-03 Jinluan Yang , Dingnan Jin , Anke Tang , Li Shen , Didi Zhu , Zhengyu Chen , Ziyu Zhao , Daixin Wang , Qing Cui , Zhiqiang Zhang , Jun Zhou , Fei Wu , Kun Kuang

Accurate representations of unknown and sub-grid physical processes through parameterizations (or closure) in numerical simulations with quantified uncertainty are critical for resolving the coarse-grained partial differential equations…

Machine Learning · Computer Science 2024-05-08 Yongquan Qu , Mohamed Aziz Bhouri , Pierre Gentine

As one of the most commonly seen data challenges, missing data, in particular, multiple, non-monotone missing patterns, complicates estimation and inference due to the fact that missingness mechanisms are often not missing at random, and…

Methodology · Statistics 2025-04-21 Jianing Dong , Raymond K. W. Wong , Kwun Chuen Gary Chan

Modern deep models are often pretrained on large-scale data with missing labels using composite objectives, where the relative weights of multiple loss terms act as hyperparameters. Tuning these weights with random search or Bayesian…

Machine Learning · Computer Science 2026-05-11 Ivan Karpukhin , Andrey Savchenko

Traditionally model averaging has been viewed as an alternative to model selection with the ultimate goal to incorporate the uncertainty associated with the model selection process in standard errors and confidence intervals by using a…

Methodology · Statistics 2021-03-05 Michael Schomaker , Christian Heumann

Recent advances in reconstruction methods for inverse problems leverage powerful data-driven models, e.g., deep neural networks. These techniques have demonstrated state-of-the-art performances for several imaging tasks, but they often do…

Computer Vision and Pattern Recognition · Computer Science 2020-10-20 Riccardo Barbano , Chen Zhang , Simon Arridge , Bangti Jin

Model merging, which combines multiple models into a single model, has gained popularity in recent years. By efficiently integrating the capabilities of various models, this significantly reduces the parameter count and memory usage.…

Machine Learning · Computer Science 2025-02-11 Weiyu Chen , James Kwok

Alignment of large language models (LLMs) typically involves training a reward model on preference data, followed by policy optimization with respect to the reward model. However, optimizing policies with respect to a single reward model…

Machine Learning · Computer Science 2025-07-23 Debangshu Banerjee , Kintan Saha , Aditya Gopalan

Uncertainty quantification in automated image analysis is highly desired in many applications. Typically, machine learning models in classification or segmentation are only developed to provide binary answers; however, quantifying the…

Sample weighting is widely used in deep learning. A large number of weighting methods essentially utilize the learning difficulty of training samples to calculate their weights. In this study, this scheme is called difficulty-based…

Machine Learning · Computer Science 2023-01-13 Xiaoling Zhou , Ou Wu , Weiyao Zhu , Ziyang Liang

Pretrained models are the standard starting point for training. This approach consistently outperforms the use of a random initialization. However, pretraining is a costly endeavour that few can undertake. In this paper, we create better…

Computation and Language · Computer Science 2022-04-08 Leshem Choshen , Elad Venezian , Noam Slonim , Yoav Katz

Bayesian neural networks (BNNs) have recently regained a significant amount of attention in the deep learning community due to the development of scalable approximate Bayesian inference techniques. There are several advantages of using a…

Machine Learning · Statistics 2023-05-02 Aliaksandr Hubin , Geir Storvik

In this work, we explore the limitations of combining models by averaging intermediate features, referred to as model merging, and propose a new direction for achieving collective model intelligence through what we call compatible…

Machine Learning · Computer Science 2024-11-05 Jyothish Pari , Samy Jelassi , Pulkit Agrawal

In this paper we tackle the problem of point and probabilistic forecasting by describing a blending methodology of machine learning models that belong to gradient boosted trees and neural networks families. These principles were…

Machine Learning · Computer Science 2023-10-23 Ioannis Nasios , Konstantinos Vogklis

Model merging unifies independently fine-tuned LLMs from the same base, enabling reuse and integration of parallel development efforts without retraining. However, in practice we observe that merging does not always succeed: certain…

Artificial Intelligence · Computer Science 2026-03-11 Yuan Cao , Dezhi Ran , Yuzhe Guo , Mengzhou Wu , Simin Chen , Linyi Li , Wei Yang , Tao Xie

Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…