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 structural change




Mixed-Integer Programming for Change-point Detection

Narula, Apoorva, Dey, Santanu S., Xie, Yao

arXiv.org Machine Learning

We present a new mixed-integer programming (MIP) approach for offline multiple change-point detection by casting the problem as a globally optimal piecewise linear (PWL) fitting problem. Our main contribution is a family of strengthened MIP formulations whose linear programming (LP) relaxations admit integral projections onto the segment assignment variables, which encode the segment membership of each data point. This property yields provably tighter relaxations than existing formulations for offline multiple change-point detection. We further extend the framework to two settings of active research interest: (i) multidimensional PWL models with shared change-points, and (ii) sparse change-point detection, where only a subset of dimensions undergo structural change. Extensive computational experiments on benchmark real-world datasets demonstrate that the proposed formulations achieve reductions in solution times under both $\ell_1$ and $\ell_2$ loss functions in comparison to the state-of-the-art.


EAGLE: Efficient Adaptive Geometry-based Learning in Cross-view Understanding

Neural Information Processing Systems

Unsupervised Domain Adaptation has been an efficient approach to transferring the semantic segmentation model across data distributions. Meanwhile, the recent Open-vocabulary Semantic Scene understanding based on large-scale vision language models is effective in open-set settings because it can learn diverse concepts and categories. However, these prior methods fail to generalize across different camera views due to the lack of cross-view geometric modeling. At present, there are limited studies analyzing cross-view learning. To address this problem, we introduce a novel Unsupervised Cross-view Adaptation Learning approach to modeling the geometric structural change across views in Semantic Scene Understanding. First, we introduce a novel Cross-view Geometric Constraint on Unpaired Data to model structural changes in images and segmentation masks across cameras. Second, we present a new Geodesic Flow-based Correlation Metric to efficiently measure the geometric structural changes across camera views. Third, we introduce a novel view-condition prompting mechanism to enhance the view-information modeling of the open-vocabulary segmentation network in cross-view adaptation learning. The experiments on different cross-view adaptation benchmarks have shown the effectiveness of our approach in cross-view modeling, demonstrating that we achieve State-of-the-Art (SOTA) performance compared to prior unsupervised domain adaptation and open-vocabulary semantic segmentation methods.


FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling

Neural Information Processing Systems

Structure-based drug design (SBDD), which aims to generate 3D ligand molecules binding to target proteins, is a fundamental task in drug discovery. Existing SBDD methods typically treat protein as rigid and neglect protein structural change when binding with ligand molecules, leading to a big gap with real-world scenarios and inferior generation qualities (e.g., many steric clashes). To bridge the gap, we propose FlexSBDD, a deep generative model capable of accurately modeling the flexible protein-ligand complex structure for ligand molecule generation. FlexSBDD adopts an efficient flow matching framework and leverages E(3)-equivariant network with scalar-vector dual representation to model dynamic structural changes. Moreover, novel data augmentation schemes based on structure relaxation/sidechain repacking are adopted to boost performance. Extensive experiments demonstrate that FlexSBDD achieves state-of-the-art performance in generating high-affinity molecules and effectively modeling the protein's conformation change to increase favorable protein-ligand interactions (e.g., Hydrogen bonds) and decrease steric clashes.




EAGLE: Efficient Adaptive Geometry-based Learning in Cross-view Understanding

Neural Information Processing Systems

Unsupervised Domain Adaptation has been an efficient approach to transferring the semantic segmentation model across data distributions. Meanwhile, the recent Open-vocabulary Semantic Scene understanding based on large-scale vision language models is effective in open-set settings because it can learn diverse concepts and categories. However, these prior methods fail to generalize across different camera views due to the lack of cross-view geometric modeling. At present, there are limited studies analyzing cross-view learning. To address this problem, we introduce a novel Unsupervised Cross-view Adaptation Learning approach to modeling the geometric structural change across views in Semantic Scene Understanding.


FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling

Neural Information Processing Systems

Structure-based drug design (SBDD), which aims to generate 3D ligand molecules binding to target proteins, is a fundamental task in drug discovery. Existing SBDD methods typically treat protein as rigid and neglect protein structural change when binding with ligand molecules, leading to a big gap with real-world scenarios and inferior generation qualities (e.g., many steric clashes). To bridge the gap, we propose FlexSBDD, a deep generative model capable of accurately modeling the flexible protein-ligand complex structure for ligand molecule generation. FlexSBDD adopts an efficient flow matching framework and leverages E(3)-equivariant network with scalar-vector dual representation to model dynamic structural changes. Moreover, novel data augmentation schemes based on structure relaxation/sidechain repacking are adopted to boost performance.


The City that Never Settles: Simulation-based LiDAR Dataset for Long-Term Place Recognition Under Extreme Structural Changes

Song, Hyunho, Lee, Dongjae, Oh, Seunghun, Jung, Minwoo, Kim, Ayoung

arXiv.org Artificial Intelligence

Large-scale construction and demolition significantly challenge long-term place recognition (PR) by drastically reshaping urban and suburban environments. Existing datasets predominantly reflect limited or indoor-focused changes, failing to adequately represent extensive outdoor transformations. To bridge this gap, we introduce the City that Never Settles (CNS) dataset, a simulation-based dataset created using the CARLA simulator, capturing major structural changes-such as building construction and demolition-across diverse maps and sequences. Additionally, we propose TCR_sym, a symmetric version of the original TCR metric, enabling consistent measurement of structural changes irrespective of source-target ordering. Quantitative comparisons demonstrate that CNS encompasses more extensive transformations than current real-world benchmarks. Evaluations of state-of-the-art LiDAR-based PR methods on CNS reveal substantial performance degradation, underscoring the need for robust algorithms capable of handling significant environmental changes. Our dataset is available at https://github.com/Hyunho111/CNS_dataset.