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This work demonstrates that fine-tuning transforms foundational machine-learned interatomic potentials (MLIPs) to achieve consistent, near-ab initio accuracy across diverse architectures. Benchmarking five leading MLIP frameworks (MACE,…

Chemical Physics · Physics 2025-11-10 Jonas Hänseroth , Aaron Flötotto , Muhammad Nawaz Qaisrani , Christian Dreßler

Misalignment in Multi-Agent Systems (MAS) is frequently treated as a technical failure. Yet, issues may arise from the conceptual design phase, where semantic ambiguity and normative projection occur. The Rabbit-Duck illusion illustrates…

Multiagent Systems · Computer Science 2025-12-23 Shayak Nandi , Fernanda M. Eliott

Software engineers must make decisions that trade off competing goals (faster vs. cheaper, secure vs. usable, accurate vs. interpretable, etc.). Despite MSR's proven techniques for exploring such goals, researchers still struggle with these…

Software Engineering · Computer Science 2026-02-10 Tim Menzies , Tao Chen , Yulong Ye , Kishan Kumar Ganguly , Amirali Rayegan , Srinath Srinivasan , Andre Lustosa

Mixture-of-Experts (MoE) language models introduce unique challenges for safety alignment due to their sparse routing mechanisms, which can enable degenerate optimization behaviors under standard full-parameter fine-tuning. In our…

Machine Learning · Computer Science 2026-04-07 Jiacheng Liang , Yuhui Wang , Tanqiu Jiang , Ting Wang

Analyzing machine learning model performance stratified by patient and recording properties is becoming the accepted norm and often yields crucial insights about important model failure modes. Performing such analyses in a statistically…

Machine Learning · Computer Science 2025-12-22 Dishantkumar Sutariya , Eike Petersen

This paper proposes MOON (Multi-Objective Optimization-driven Object-goal Navigation), a novel framework designed for efficient navigation in large-scale, complex indoor environments. While existing methods often rely on local heuristics,…

Robotics · Computer Science 2026-01-06 Daigo Nakajima , Kanji Tanaka , Daiki Iwata , Kouki Terashima

Model merging offers a scalable alternative to multi-task learning but often yields suboptimal performance on classification tasks. We attribute this degradation to a geometric misalignment between the merged encoder and static…

Machine Learning · Computer Science 2026-02-03 Fanshuang Kong , Richong Zhang , Zhijie Nie , Hang Zhou , Ziqiao Wang , Qiang Sun , Chunming Hu

Audio-visual learning helps to comprehensively understand the world by fusing practical information from multiple modalities. However, recent studies show that the imbalanced optimization of uni-modal encoders in a joint-learning model is a…

Sound · Computer Science 2023-03-14 Ruize Xu , Ruoxuan Feng , Shi-Xiong Zhang , Di Hu

Machine learning enabled systems (MLS) often operate in settings where they regularly encounter uncertainties arising from changes in their surrounding environment. Without structured oversight, such changes can degrade model behavior,…

Software Engineering · Computer Science 2026-02-03 Ananya Halgatti , Shaunak Biswas , Hiya Bhatt , Srinivasan Rakhunathan , Karthik Vaidhyanathan

This research concerns a type of configuration optimization problems frequently encountered in engineering design and manufacturing, where the envelope volume in space occupied by a number of components needs to be minimized along with…

Computational Engineering, Finance, and Science · Computer Science 2017-06-13 Pei Cao , Zhaoyan Fan , Robert X. Gao , Jiong Tang

The computational analysis of Mass Spectrometry Imaging (MSI) data aims at the identification of interesting mass co-localizations and the visualization of their lateral distribution in the sample, usually a tissue cross section. But as the…

Computer Vision and Pattern Recognition · Computer Science 2020-10-01 Karsten Wüllems , Tim W. Nattkemper

Interpreting figurative language such as sarcasm across multi-modal inputs presents unique challenges, often requiring task-specific fine-tuning and extensive reasoning steps. However, current Chain-of-Thought approaches do not efficiently…

Computation and Language · Computer Science 2025-08-26 Aashish Anantha Ramakrishnan , Aadarsh Anantha Ramakrishnan , Dongwon Lee

We propose Conformal Mixed-Integer Constraint Learning (C-MICL), a novel framework that provides probabilistic feasibility guarantees for data-driven constraints in optimization problems. While standard Mixed-Integer Constraint Learning…

Machine Learning · Computer Science 2025-06-05 Daniel Ovalle , Lorenz T. Biegler , Ignacio E. Grossmann , Carl D. Laird , Mateo Dulce Rubio

Existing text-to-image diffusion models have demonstrated remarkable capabilities in generating high-quality images guided by textual prompts. However, achieving multi-subject compositional synthesis with precise spatial control remains a…

Computer Vision and Pattern Recognition · Computer Science 2025-08-21 Fei Peng , Junqiang Wu , Yan Li , Tingting Gao , Di Zhang , Huiyuan Fu

Cardiac substructure delineation is emerging in treatment planning to minimize the risk of radiation-induced heart disease. Deep learning offers efficient methods to reduce contouring burden but currently lacks generalizability across…

Multimodal learning often grapples with the challenge of low-quality data, which predominantly manifests as two facets: modality imbalance and noisy corruption. While these issues are often studied in isolation, we argue that they share a…

Computer Vision and Pattern Recognition · Computer Science 2026-05-06 Xun Jiang , Yufan Gu , Disen Hu , Yuqing Hou , Yazhou Yao , Fumin Shen , Heng Tao Shen , Xing Xu

Causal effect estimation from observational data requires careful adjustment for confounding. Classical estimators such as inverse probability weighting and augmented inverse probability weighting are effective under favorable model…

Machine Learning · Statistics 2026-04-28 Lei Wang , Debashis Ghosh

Unified visual tokenization faces a fundamental trade-off between high-fidelity pixel reconstruction (spatial equivariance) and semantic abstraction (conceptual invariance). We attribute this conflict to Manifold Misalignment: naive joint…

Computer Vision and Pattern Recognition · Computer Science 2026-05-08 Panqi Yang , Haodong Jing , Jiahao Chao , Tingyan Xiang , Li Lin , Yao Hu , Yang Luo , Yongqiang Ma

Sparse Mixture-of-Experts (SMoE) architectures have enabled a new frontier in scaling Large Language Models (LLMs), offering superior performance by activating only a fraction of their total parameters during inference. However, their…

Machine Learning · Computer Science 2025-11-26 Wentao Hu , Mingkuan Zhao , Shuangyong Song , Xiaoyan Zhu , Xin Lai , Jiayin Wang

For many machine learning models, a choice of hyperparameters is a crucial step towards achieving high performance. Prevalent meta-learning approaches focus on obtaining good hyperparameters configurations with a limited computational…

Machine Learning · Computer Science 2022-01-31 Katarzyna Woźnica , Mateusz Grzyb , Zuzanna Trafas , Przemysław Biecek
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