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Appendices and Supplementary Material

Neural Information Processing Systems

A.1 Equations for Conformational Energy Landscape Overlap Analysis To quantify the similarity between the protein conformations generated by AI-based models and those in the ProteinConformers dataset, the following three commonly used overlap metrics are employed: Interaction overlap, coverage, and the Jaccard index. These metrics evaluate the extent of agreement in low-energy regions between the protein conformers from different models of the same protein, based on a specified energy threshold. Let A = {Ai,j} and B = {Bi,j} where i,j [0,N], denote the two-dimensional free energy landscapes corresponding of two conformational ensembles. Each element Ai,j and Bi,j represents the free energy value at a specific grid point in the conformational energy landscape. For a given energy threshold ฯ„ (e.g., 40 kJ/mol), the number of shared low-energy conformations is defined as: |A B| = Figure 6: Comparison of conformational landscapes for protein T1030, generated by ProteinConformers and protein conformation generative models.


When One Moment Isn't Enough: Multi-Moment Retrieval with Cross-Moment Interactions

Neural Information Processing Systems

Existing Moment retrieval (MR) methods focus on Single-Moment Retrieval (SMR). However, one query can correspond to multiple relevant moments in real-world applications. This makes the existing datasets and methods insufficient for video temporal grounding. By revisiting the gap between current MR tasks and real-world applications, we introduce a high-quality datasets called QVHighlights Multi-Moment Dataset (QV-M2), along with new evaluation metrics tailored for multi-moment retrieval (MMR). QV-M2 consists of 2,212 annotations covering 6,384 video segments.


LiteReality: Graphics-Ready 3DScene Reconstruction from RGB-DScans

Neural Information Processing Systems

We propose LiteReality, a novel pipeline that converts RGB-D scans of indoor environments into compact, realistic, and interactive 3D virtual replicas. LiteReality not only reconstructs scenes that visually resemble reality but also supports key features essential for graphics pipelines--such as object individuality, articulation, high-quality physically based rendering materials. At its core, LiteReality first performs scene understanding and parses the results into a coherent 3D layout and objects, with the help of a structured scene graph.


Supplementary Material for Quantifying Generalisation in Imitation Learning

Neural Information Processing Systems

Each split is entirely unique, and no labyrinth appears more than once in4 the entire dataset, regardless of its split. Each entry consists of five pieces of information:5 obs: the path to the image representation for that state;6 actions: the integer action performed for that solution in that state;7 rewards: the float reward received for that action in that state;8 episode_starts: the boolean status that states if it is the first state in an episode; and9 info: the textual information required to load the same labyrinth structure if needed.10 We provide images in each dataset since we believe that visual information is more useful to the11 imitation learning agent, and if a vector representation is needed, the info parameter allows researchers12 to load the same structure and the actions enables the recreation of the dataset in its vector format.13 Each observation is an image of size 600 600 3. Although each baseline trained in this work14 uses a 64 64 3input, we thought that providing a bigger image would benefit models requiring15 downsizing (e.g., the walls will not disappear during resizing).


Conformal Prediction Beyond the Horizon: Distribution-Free Inference for Policy Evaluation

Neural Information Processing Systems

Reliable uncertainty quantification is crucial for reinforcement learning (RL) in high-stakes settings. We propose a unified conformal prediction framework for infinite-horizon policy evaluation that constructs distribution-free prediction intervals for returns in both on-policy and off-policy settings.


Image Super-Resolution with Guarantees via Conformalized Generative Models

Neural Information Processing Systems

We address this need by presenting a novel approach based on conformal prediction techniques to create a'confidence mask' capable of reliably and intuitively communicating where the generated image can be trusted. Our method is adaptable to any black-box generative model, including those locked behind an opaque API, requires only easily attainable data for calibration, and is highly customizable via the choice of a local image similarity metric. We prove strong theoretical guarantees for our method that span fidelity error control (according to our local image similarity metric), reconstruction quality, and robustness in the face of data leakage. Finally, we empirically evaluate these results and establish our method's solid performance.


Language-Bias-Resilient Visual Question Answering via Adaptive Multi-Margin Collaborative Debiasing

Neural Information Processing Systems

Language bias in Visual Question Answering (VQA) arises when models exploit spurious statistical correlations between question templates and answers, particularly in out-of-distribution scenarios, thereby neglecting essential visual cues and compromising genuine multimodal reasoning. Despite numerous efforts to enhance the robustness of VQA models, a principled understanding of how such bias originates and influences model behavior remains underdeveloped. In this paper, we address this gap through a comprehensive empirical and theoretical analysis, revealing that modality-specific gradient imbalances, which originate from the inherent heterogeneity of multimodal data, lead to skewed feature fusion and biased classifier weights. To alleviate these issues, we propose a novel MultiMargin Collaborative Debiasing (MMCD) framework2, which adaptively integrates frequency-aware, confidence-aware, and difficulty-aware angular margins with a dynamic, difficulty-aware contrastive learning mechanism to reshape decision boundaries under biased training conditions. Extensive experiments across multiple challenging VQA benchmarks confirm the consistent superiority of our proposed MMCD over state-of-the-art baselines in combating language bias.


Hybrid Re-matching for Continual Learning with Parameter-efficient Tuning

Neural Information Processing Systems

Continual learning seeks to enable a model to assimilate knowledge from nonstationary data streams without catastrophic forgetting. Recently, methods based on Parameter-Efficient Tuning (PET) have achieved superior performance without even storing any historical exemplars, which train much fewer specific parameters for each task upon a frozen pre-trained model, and tailored parameters are retrieved to guide predictions during inference. However, reliance solely on pretrained features for parameter matching exacerbates the inconsistency between the training and inference phases, thereby constraining the overall performance. To address this issue, we propose HRM-PET, which makes full use of the richer downstream knowledge inherently contained in the trained parameters. Specifically, we introduce a hybrid re-matching mechanism, which benefits from the initial predicted distribution to facilitate the parameter selections. The direct rematching addresses misclassified samples identified with correct task identity in prediction, despite incorrect initial matching. Moreover, the confidence-based re-matching is specifically designed to handle other more challenging mismatched samples that cannot be calibrated by the former. Besides, to acquire task-invariant knowledge for better matching, we integrate a cross-task instance relationship distillation module into the PET-based method. Extensive experiments conducted on four datasets under five pre-trained settings demonstrate that HRM-PET performs favorably against the state-of-the-art methods.


Disentangled Concepts Speak Louder Than Words Explainable Video Action Recognition

Neural Information Processing Systems

Effective explanations of video action recognition models should disentangle how movements unfold over time from the surrounding spatial context. However, existing methods--based on saliency--produce entangled explanations, making it unclear whether predictions rely on motion or spatial context. Language-based approaches offer structure but often fail to explain motions due to their tacit nature--intuitively understood but difficult to verbalize. To address these challenges, we propose Disentangled Action aNd Context concept-based Explainable (DANCE) video action recognition, a framework that predicts actions through disentangled concept types: motion dynamics, objects, and scenes. We define motion dynamics concepts as human pose sequences. We employ a large language model to automatically extract object and scene concepts. Built on an ante-hoc concept bottleneck design, DANCE enforces prediction through these concepts. Experiments on four datasets--KTH, Penn Action, HAA500, and UCF101--demonstrate that DANCE significantly improves explanation clarity with competitive performance.


Appendices and Supplementary Material

Neural Information Processing Systems

A.1 Coordinate Systems and Transformation To achieve spatial synchronization between different sensors, vehicle-vehicle-UAV collaboration requires using sensor parameter information to perform coordinate system transformations. The relationships between the coordinate systems are illustrated in Fig. S 1. Figure 1: Relationship between coordinate systems. The pixel coordinate system refers to a two-dimensional coordinate system defined on the image plane, typically represented as (u,v), with units in pixels. In this system, the origin is located at the top-left corner of the image, the u-axis points to the right along the horizontal direction, and the v-axis points downward along the vertical direction. This coordinate system is used to describe the position of points on the two-dimensional image captured by the camera.