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Jun 17

Importance of Electronic Entropy for Machine Learning Interatomic Potentials

Machine learning interatomic potentials (MLIPs) enable large-scale atomistic simulations but remain challenged in describing mixed-valence materials where charge ordering strongly influences thermodynamic stability. Here we investigate the role of electronic entropy in MLIP structural optimization of the battery cathode material NaFePO4. We show that conventional MLIPs fail to reproduce the correct stability of intermediate Na concentrations because structural optimization leads to incorrect Fe^{2+}/Fe^{3+} charge assignments, resulting in erroneous energy ordering and convex-hull predictions. Analysis of magnetic moments during structural optimization reveals that MLIPs are unable to capture electronic entropy associated with charge ordering. To address this limitation, we introduce an approach that embeds charge-state information directly into the MLIP representation by distinguishing between Fe^{2+} and Fe^{3+} environments during training. Retraining CHGNet, cPaiNN, and MACE with this representation enables accurate structural optimization, correct identification of charge ordering, and improved agreement with density functional theory convex hulls. Our results demonstrate that incorporating electronic entropy into MLIP representations is essential for modeling charge-disordered materials and provide a practical framework for extending MLIP simulations to mixed-valence transition-metal systems.

  • 5 authors
·
Mar 26

Text-conditioned State Space Model For Domain-generalized Change Detection Visual Question Answering

The Earth's surface is constantly changing, and detecting these changes provides valuable insights that benefit various aspects of human society. While traditional change detection methods have been employed to detect changes from bi-temporal images, these approaches typically require expert knowledge for accurate interpretation. To enable broader and more flexible access to change information by non-expert users, the task of Change Detection Visual Question Answering (CDVQA) has been introduced. However, existing CDVQA methods have been developed under the assumption that training and testing datasets share similar distributions. This assumption does not hold in real-world applications, where domain shifts often occur. In this paper, the CDVQA task is revisited with a focus on addressing domain shift. To this end, a new multi-modal and multi-domain dataset, BrightVQA, is introduced to facilitate domain generalization research in CDVQA. Furthermore, a novel state space model, termed Text-Conditioned State Space Model (TCSSM), is proposed. The TCSSM framework is designed to leverage both bi-temporal imagery and geo-disaster-related textual information in an unified manner to extract domain-invariant features across domains. Input-dependent parameters existing in TCSSM are dynamically predicted by using both bi-temporal images and geo-disaster-related description, thereby facilitating the alignment between bi-temporal visual data and the associated textual descriptions. Extensive experiments are conducted to evaluate the proposed method against state-of-the-art models, and superior performance is consistently demonstrated. The code and dataset will be made publicly available upon acceptance at https://github.com/Elman295/TCSSM.

  • 2 authors
·
Aug 12, 2025 2

MapFormer: Boosting Change Detection by Using Pre-change Information

Change detection in remote sensing imagery is essential for a variety of applications such as urban planning, disaster management, and climate research. However, existing methods for identifying semantically changed areas overlook the availability of semantic information in the form of existing maps describing features of the earth's surface. In this paper, we leverage this information for change detection in bi-temporal images. We show that the simple integration of the additional information via concatenation of latent representations suffices to significantly outperform state-of-the-art change detection methods. Motivated by this observation, we propose the new task of *Conditional Change Detection*, where pre-change semantic information is used as input next to bi-temporal images. To fully exploit the extra information, we propose *MapFormer*, a novel architecture based on a multi-modal feature fusion module that allows for feature processing conditioned on the available semantic information. We further employ a supervised, cross-modal contrastive loss to guide the learning of visual representations. Our approach outperforms existing change detection methods by an absolute 11.7\% and 18.4\% in terms of binary change IoU on DynamicEarthNet and HRSCD, respectively. Furthermore, we demonstrate the robustness of our approach to the quality of the pre-change semantic information and the absence pre-change imagery. The code is available at https://github.com/mxbh/mapformer.

  • 3 authors
·
Mar 31, 2023

ChangeMamba: Remote Sensing Change Detection With Spatiotemporal State Space Model

Convolutional neural networks (CNN) and Transformers have made impressive progress in the field of remote sensing change detection (CD). However, both architectures have inherent shortcomings: CNN are constrained by a limited receptive field that may hinder their ability to capture broader spatial contexts, while Transformers are computationally intensive, making them costly to train and deploy on large datasets. Recently, the Mamba architecture, based on state space models, has shown remarkable performance in a series of natural language processing tasks, which can effectively compensate for the shortcomings of the above two architectures. In this paper, we explore for the first time the potential of the Mamba architecture for remote sensing CD tasks. We tailor the corresponding frameworks, called MambaBCD, MambaSCD, and MambaBDA, for binary change detection (BCD), semantic change detection (SCD), and building damage assessment (BDA), respectively. All three frameworks adopt the cutting-edge Visual Mamba architecture as the encoder, which allows full learning of global spatial contextual information from the input images. For the change decoder, which is available in all three architectures, we propose three spatio-temporal relationship modeling mechanisms, which can be naturally combined with the Mamba architecture and fully utilize its attribute to achieve spatio-temporal interaction of multi-temporal features, thereby obtaining accurate change information. On five benchmark datasets, our proposed frameworks outperform current CNN- and Transformer-based approaches without using any complex training strategies or tricks, fully demonstrating the potential of the Mamba architecture in CD tasks. Further experiments show that our architecture is quite robust to degraded data. The source code will be available in https://github.com/ChenHongruixuan/MambaCD

  • 5 authors
·
Apr 4, 2024

AtrousMamaba: An Atrous-Window Scanning Visual State Space Model for Remote Sensing Change Detection

Recently, a novel visual state space (VSS) model, referred to as Mamba, has demonstrated significant progress in modeling long sequences with linear complexity, comparable to Transformer models, thereby enhancing its adaptability for processing visual data. Although most methods aim to enhance the global receptive field by directly modifying Mamba's scanning mechanism, they tend to overlook the critical importance of local information in dense prediction tasks. Additionally, whether Mamba can effectively extract local features as convolutional neural networks (CNNs) do remains an open question that merits further investigation. In this paper, We propose a novel model, AtrousMamba, which effectively balances the extraction of fine-grained local details with the integration of global contextual information. Specifically, our method incorporates an atrous-window selective scan mechanism, enabling a gradual expansion of the scanning range with adjustable rates. This design shortens the distance between adjacent tokens, enabling the model to effectively capture fine-grained local features and global context. By leveraging the atrous window scan visual state space (AWVSS) module, we design dedicated end-to-end Mamba-based frameworks for binary change detection (BCD) and semantic change detection (SCD), referred to as AWMambaBCD and AWMambaSCD, respectively. Experimental results on six benchmark datasets show that the proposed framework outperforms existing CNN-based, Transformer-based, and Mamba-based methods. These findings clearly demonstrate that Mamba not only captures long-range dependencies in visual data but also effectively preserves fine-grained local details.

  • 7 authors
·
Jul 21, 2025

GPT4Battery: An LLM-driven Framework for Adaptive State of Health Estimation of Raw Li-ion Batteries

State of health (SOH) is a crucial indicator for assessing the degradation level of batteries that cannot be measured directly but requires estimation. Accurate SOH estimation enhances detection, control, and feedback for Li-ion batteries, allowing for safe and efficient energy management and guiding the development of new-generation batteries. Despite the significant progress in data-driven SOH estimation, the time and resource-consuming degradation experiments for generating lifelong training data pose a challenge in establishing one large model capable of handling diverse types of Li-ion batteries, e.g., cross-chemistry, cross-manufacturer, and cross-capacity. Hence, this paper utilizes the strong generalization capability of large language model (LLM) to proposes a novel framework for adaptable SOH estimation across diverse batteries. To match the real scenario where unlabeled data sequentially arrives in use with distribution shifts, the proposed model is modified by a test-time training technique to ensure estimation accuracy even at the battery's end of life. The validation results demonstrate that the proposed framework achieves state-of-the-art accuracy on four widely recognized datasets collected from 62 batteries. Furthermore, we analyze the theoretical challenges of cross-battery estimation and provide a quantitative explanation of the effectiveness of our method.

  • 3 authors
·
Jan 30, 2024