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 Statistical Learning


Variational Task Vector Composition

Neural Information Processing Systems

Task vectors capture how a model changes during fine-tuning by recording the difference between pre-trained and task-specific weights. The composition of task vectors, a key operator in task arithmetic, enables models to integrate knowledge from multiple tasks without incurring significant additional inference costs. In this paper, we propose variational task vector composition (VTVC), where composition coefficients are taken as latent variables and estimated in a Bayesian inference framework. Unlike previous methods that operate at the task level, our framework focuses on sample-specific composition. Motivated by the observation of structural redundancy in task vectors, we introduce a Spike-and-Slab prior that promotes sparsity and aims to preserve the most informative components. To further address the high variance and sampling inefficiency in sparse, high-dimensional spaces, we develop a gated sampling mechanism that constructs a controllable posterior by filtering the composition coefficients based on both uncertainty and importance. This yields a more stable and interpretable variational framework by deterministically selecting reliable task components, reducing sampling variance while improving transparency and generalization. Experimental results demonstrate that our method achieves state-of-the-art average performance across a diverse range of benchmarks, including image classification and natural language understanding.


Functional Virtual Adversarial Training for Semi-Supervised Time Series Classification

Neural Information Processing Systems

Real-world time series analysis, such as healthcare, autonomous driving, and solar energy, faces unique challenges arising from the scarcity of labeled data, highlighting the need for effective semi-supervised learning methods. While the Virtual Adversarial Training (VAT) method has shown promising performance in leveraging unlabeled data for smoother predictive distributions, straightforward extensions of VAT often fall short on time series tasks as they neglect the temporal structure of the data in the adversarial perturbation. In this paper, we propose the framework of functional Virtual Adversarial Training (f-VAT) that can incorporate the functional structure of the data into perturbations. By theoretically establishing a duality between the perturbation norm and the functional model sensitivity, we propose to use an appropriate Sobolev (H s) norm to generate structured functional adversarial perturbations for semi-supervised time series classification. Our proposed f-VAT method outperforms recent methods and achieves superior performance in extensive semi-supervised time series classification tasks (e.g., up to 9% performance improvement). We also provide additional visualization studies to offer further insights into the superiority of f-VAT.


Causal Temporal Prediction An Effective and Efficient Multi Modal Approach

Neural Information Processing Systems

Spatio-temporal prediction plays a crucial role in intelligent transportation, weather forecasting, and urban planning. While integrating multi-modal data has shown potential for enhancing prediction accuracy, key challenges persist: (i) inadequate fusion of multi-modal information, (ii) confounding factors that obscure causal relations, and (iii) high computational complexity of prediction models. To address these challenges, we propose E2-CSTP, an Effective and Efficient Causal multimodal Spatio-Temporal Prediction framework. E2-CSTP leverages cross-modal attention and gating mechanisms to effectively integrate multi-modal data. Building on this, we design a dual-branch causal inference approach: the primary branch focuses on spatio-temporal prediction, while the auxiliary branch mitigates bias by modeling additional modalities and applying causal interventions to uncover true causal dependencies. To improve model efficiency, we integrate GCN with the Mamba architecture for accelerated spatio-temporal encoding. Extensive experiments on 4 real-world datasets show that E2-CSTP significantly outperforms 9 state-of-the-art methods, achieving up to 9.66% improvements in accuracy as well as 17.37%-56.11%


Distil-E2D: Distilling Image-to-Depth Priors for Event-Based Monocular Depth Estimation

Neural Information Processing Systems

Event cameras are neuromorphic vision sensors that asynchronously capture pixellevel intensity changes with high temporal resolution and dynamic range. These make them well suited for monocular depth estimation under challenging lighting conditions. However, progress in event-based monocular depth estimation remains constrained by the quality of supervision: LiDAR-based depth labels are inherently sparse, spatially incomplete, and prone to artifacts. Consequently, these signals are suboptimal for learning dense depth from sparse events. To address this problem, we propose Distil-E2D, a framework that distills depth priors from the image domain into the event domain by generating dense synthetic pseudolabels from co-recorded APS or RGB frames using foundational depth models. These pseudolabels complement sparse LiDAR depths with dense semantically rich supervision informed by large-scale image-depth datasets. To reconcile discrepancies between synthetic and real depths, we introduce a Confidence-Guided Calibrated Depth Loss that learns nonlinear depth alignment and adaptively weights supervision by alignment confidence. Additionally, our architecture integrates past predictions via a Context Transformer and employs a Dual-Decoder Training scheme that enhances encoder representations by jointly learning metric and relative depth abstractions. Experiments on benchmark datasets show that Distil-E2D achieves state-of-the-art performance in event-based monocular depth estimation across both event-only and event+APS settings.


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.


Regularized least squares learning with heavy-tailed noise is minimax optimal

Neural Information Processing Systems

This paper examines the performance of ridge regression in reproducing kernel Hilbert spaces in the presence of noise that exhibits a finite number of higher moments. We establish excess risk bounds consisting of subgaussian and polynomial terms based on the well known integral operator framework. The dominant subgaussian component allows to achieve convergence rates that have previously only been derived under subexponential noise--a prevalent assumption in related work from the last two decades. These rates are optimal under standard eigenvalue decay conditions, demonstrating the asymptotic robustness of regularized least squares against heavy-tailed noise. Our derivations are based on a Fuk-Nagaev inequality for Hilbert-space valued random variables.


Semantic and Visual Crop-Guided Diffusion Models for Heterogeneous Tissue Synthesis in Histopathology

Neural Information Processing Systems

Synthetic data generation in histopathology faces unique challenges: preserving tissue heterogeneity, capturing subtle morphological features, and scaling to unannotated datasets. We present a latent diffusion model that generates realistic heterogeneous histopathology images through a novel dual-conditioning approach combining semantic segmentation maps with tissue-specific visual crops. Unlike existing methods that rely on text prompts or abstract visual embeddings, our approach preserves critical morphological details by directly incorporating raw tissue crops from corresponding semantic regions. For annotated datasets (i.e., Camelyon16, Panda), we extract patches ensuring 20 80%tissue heterogeneity. For unannotated data (i.e., TCGA), we introduce a self-supervised extension that clusters whole-slide images into 100 tissue types using foundation model embeddings, automatically generating pseudo-semantic maps for training.


KINDLE: Knowledge-Guided Distillation for Prior-Free Gene Regulatory Network Inference

Neural Information Processing Systems

Gene regulatory network (GRN) inference serves as a cornerstone for deciphering cellular decision-making processes. Early approaches rely exclusively on gene expression data, thus their predictive power remain fundamentally constrained by the vast combinatorial space of potential gene-gene interactions. Subsequent methods integrate prior knowledge to mitigate this challenge by restricting the solution space to biologically plausible interactions. However, we argue that the effectiveness of these approaches is contingent upon the precision of prior information and the reduction in the search space will circumscribe the models' potential for novel biological discoveries. To address these limitations, we introduce KINDLE, a three-stage framework that decouples GRN inference from prior knowledge dependencies.


Decoding Causal Structure: End-to-End Mediation Pathways Inference

Neural Information Processing Systems

Causal mediation analysis is crucial for deconstructing complex mechanisms of action. However, in current mediation analysis, complex structures derived from causal discovery lack direct interpretation of mediation pathways, while traditional mediation analysis and effect estimation are limited by the reliance on pre-specified pathways, leading to a disconnection between structure discovery and causal mechanism understanding. Therefore, a unified framework integrating structure discovery, pathway identification, and effect estimation systematically quantifies mediation pathways under structural uncertainty, enabling automated identification and inference of mediation pathways. To this end, we propose Structure-Informed Guided Mediation Analysis (SIGMA), which guides automated mediation pathway identification through probabilistic causal structure discovery and uncertainty quantification, enabling end-to-end propagation of structural uncertainty from structure learning to effect estimation. Specifically, SIGMA employs differentiable Flow-Structural Equation Models to learn structural posteriors, generating diverse Directed Acyclic Graphs (DAGs) to quantify structural uncertainty. Based on these DAGs, we introduce the Path Stability Score to evaluate the marginal probability of pathways, identifying high-confidence mediation paths. For identified mediation pathways, we integrate Efficient Influence Functions with Bayesian model averaging to fuse within-structure estimation uncertainty and between-structure effect variation, propagating uncertainty to the final effect estimates. In synthetic data experiments, SIGMA achieves state-of-the-art performance in pathway identification accuracy and effect quantification precision under structural uncertainty, concurrent multiple pathways, and nonlinear scenarios. In real-world applications using Human Phenotype Project data, SIGMA identifies mediation effects of sleep quality on cardiovascular health through inflammatory and metabolic pathways, uncovering previously unspecified multiple mediation paths.


Uncertainty-Aware Multi-Objective Reinforcement Learning-Guided Diffusion Models for 3DDe Novo Molecular Design

Neural Information Processing Systems

Designing de novo 3D molecules with desirable properties remains a fundamental challenge in drug discovery and molecular engineering. While diffusion models have demonstrated remarkable capabilities in generating high-quality 3D molecular structures, they often struggle to effectively control complex multi-objective constraints critical for real-world applications. In this study, we propose an uncertaintyaware Reinforcement Learning (RL) framework to guide the optimization of 3D molecular diffusion models toward multiple property objectives while enhancing the overall quality of the generated molecules. Our method leverages surrogate models with predictive uncertainty estimation to dynamically shape reward functions, facilitating balance across multiple optimization objectives. We comprehensively evaluate our framework across three benchmark datasets and multiple diffusion model architectures, consistently outperforming baselines for molecular quality and property optimization. Additionally, Molecular Dynamics (MD) simulations and ADMET profiling of top generated candidates indicate promising drug-like behavior and binding stability, comparable to known Epidermal Growth Factor Receptor (EGFR) inhibitors. Our results demonstrate the strong potential of RL-guided generative diffusion models for advancing automated molecular design.