OpenRaiser/Intern-Atlas huggingface dataset:
Enhancing CLIP Robustness via Cross-Modality Alignment
Venue: Conference NeurIPS 2025
Year: 2025

Vision-language models (VLMs) such as CLIP demonstrate strong generalization in zero-shot classification but remain highly vulnerable to adversarial perturbations. Existing methods primarily focus on adversarial fine-tuning or prompt optimization; they often overlook the gaps in CLIP's encoded features, which is shown as the text and image features lie far apart from each other. This misalignment is significantly amplified under adversarial perturbations, leading to severe degradation in classification performance. To address this problem, we propose Cross-modality Alignment, dubbed COLA, an optimal transport-based framework that explicitly addresses adversarial misalignment by restoring both global image-text alignment and local structural consistency in the feature space. (1) COLA first projects adversarial image embeddings onto a subspace spanned by class text features, effectively filtering out non-semantic distortions while preserving discriminative information. (2) It then models images and texts as discrete distributions over multiple augmented views and refines their alignment via OT, with the subspace projection seamlessly integrated into the cost computation. This design ensures stable cross-modal alignment even under adversarial conditions. COLA is training-free and compatible with existing fine-tuned models. Extensive evaluations across 14 zero-shot classification benchmarks demonstrate the effectiveness of COLA, especially with an average improvement of 6.7% on ImageNet and its variants under PGD adversarial attacks, while maintaining high accuracy on clean samples.
Effortless, Simulation-Efficient Bayesian Inference using Tabular Foundation Models
Venue: Conference NeurIPS 2025
Year: 2025

Simulation-based inference (SBI) offers a flexible and general approach to performing Bayesian inference: In SBI, a neural network is trained on synthetic data simulated from a model and used to rapidly infer posterior distributions for observed data. A key goal for SBI is to achieve accurate inference with as few simulations as possible, especially for expensive simulators. In this work, we address this challenge by repurposing recent probabilistic foundation models for tabular data: We show how tabular foundation models -- specifically TabPFN -- can be used as pre-trained autoregressive conditional density estimators for SBI. We propose Neural Posterior Estimation with Prior-data Fitted Networks (NPE-PFN) and show that it is competitive with current SBI approaches in terms of accuracy for both benchmark tasks and two complex scientific inverse problems. Crucially, it often substantially outperforms them in terms of simulation efficiency, sometimes requiring orders of magnitude fewer simulations. NPE-PFN eliminates the need for inference network selection, training, and hyperparameter tuning. We also show that it exhibits superior robustness to model misspecification and can be scaled to simulation budgets that exceed the context size limit of TabPFN. NPE-PFN provides a new direction for SBI, where training-free, general-purpose inference models offer efficient, easy-to-use, and flexible solutions for a wide range of stochastic inverse problems.
Connecting Jensen–Shannon and Kullback–Leibler Divergences: A New Bound for Representation Learning
Venue: Conference NeurIPS 2025
Year: 2025

Mutual Information (MI) is a fundamental measure of statistical dependence widely used in representation learning. While direct optimization of MI via its definition as a Kullback-Leibler divergence (KLD) is often intractable, many recent methods have instead maximized alternative dependence measures, most notably, the Jensen-Shannon divergence (JSD) between joint and product of marginal distributions via discriminative losses. However, the connection between these surrogate objectives and MI remains poorly understood. In this work, we bridge this gap by deriving a new, tight, and tractable lower bound on KLD as a function of JSD in the general case. By specializing this bound to joint and marginal distributions, we demonstrate that maximizing the JSD-based information increases a guaranteed lower bound on mutual information. Furthermore, we revisit the practical implementation of JSD-based objectives and observe that minimizing the cross-entropy loss of a binary classifier trained to distinguish joint from marginal pairs recovers a known variational lower bound on the JSD. Extensive experiments demonstrate that our lower bound is tight when applied to MI estimation. We compared our lower bound to state-of-the-art neural estimators of variational lower bound across a range of established reference scenarios. Our lower bound estimator consistently provides a stable, low-variance estimate of a tight lower bound on MI. We also demonstrate its practical usefulness in the context of the Information Bottleneck framework. Taken together, our results provide new theoretical justifications and strong empirical evidence for using discriminative learning in MI-based representation learning.
Pancakes: Consistent Multi-Protocol Image Segmentation Across Biomedical Domains
Venue: Conference NeurIPS 2025
Year: 2025

A single biomedical image can be meaningfully segmented in multiple ways, depending on the desired application. For instance, a brain MRI can be segmented according to tissue types, vascular territories, broad anatomical regions, fine-grained anatomy, or pathology, etc. Existing automatic segmentation models typically either (1) support only a single protocol, the one they were trained on, or (2) require labor-intensive manual prompting to specify the desired segmentation. We introduce Pancakes, a framework that, given a new image from a previously unseen domain, automatically generates multi-label segmentation maps for multiple plausible protocols, while maintaining semantic consistency across related images. Pancakes introduces a new problem formulation that is not currently attainable by existing foundation models. In a series of experiments on seven held-out datasets, we demonstrate that our model can significantly outperform existing foundation models in producing several plausible whole-image segmentations, that are semantically coherent across images.
Fast Rate Bounds for Multi-Task and Meta-Learning with Different Sample Sizes
Venue: Conference NeurIPS 2025
Year: 2025

We present new fast-rate PAC-Bayesian generalization bounds for multi-task and meta-learning in the unbalanced setting, i.e. when the tasks have training sets of different sizes, as is typically the case in real-world scenarios. Previously, only standard-rate bounds were known for this situation, while fast-rate bounds were limited to the setting where all training sets are of equal size. Our new bounds are numerically computable as well as interpretable, and we demonstrate their flexibility in handling a number of cases where they give stronger guarantees than previous bounds. Besides the bounds themselves, we also make conceptual contributions: we demonstrate that the unbalanced multi-task setting has different statistical properties than the balanced situation, specifically that proofs from the balanced situation do not carry over to the unbalanced setting. Additionally, we shed light on the fact that the unbalanced situation allows two meaningful definitions of multi-task risk, depending on whether all tasks should be considered equally important or if sample-rich tasks should receive more weight than sample-poor ones.
Continual Optimization with Symmetry Teleportation for Multi-Task Learning
Venue: Conference NeurIPS 2025
Year: 2025

Multi-task learning (MTL) is a widely explored paradigm that enables the simultaneous learning of multiple tasks using a single model. Despite numerous solutions, the key issues of optimization conflict and task imbalance remain under-addressed, limiting performance. Unlike existing optimization-based approaches that typically reweight task losses or gradients to mitigate conflicts or promote progress, we propose a novel approach based on Continual Optimization with Symmetry Teleportation (COST). During MTL optimization, when an optimization conflict arises, we seek an alternative loss-equivalent point on the loss landscape to reduce conflict. Specifically, we utilize a low-rank adapter (LoRA) to facilitate this practical teleportation by designing convergent, loss-invariant objectives. Additionally, we introduce a historical trajectory reuse strategy to continually leverage the benefits of advanced optimizers. Extensive experiments on multiple mainstream datasets demonstrate the effectiveness of our approach. COST is a plug-and-play solution that enhances a wide range of existing MTL methods. When integrated with state-of-the-art methods, COST achieves superior performance.
Multiclass Loss Geometry Matters for Generalization of Gradient Descent in Separable Classification
Venue: Conference NeurIPS 2025
Year: 2025

We study the generalization performance of unregularized gradient methods for separable linear classification. While previous work mostly deal with the binary case, we focus on the multiclass setting with $k$ classes and establish novel population risk bounds for Gradient Descent for loss functions that decay to zero. In this setting, we show risk bounds that reveal that convergence rates are crucially influenced by the geometry of the loss template, as formalized by Wang and Scott (2024), rather than of the loss function itself. Particularly, we establish risk upper bounds that holds for any decay rate of the loss whose template is smooth with respect to the $p$-norm. In the case of exponentially decaying losses, our results indicates a contrast between the $p=\infty$ case, where the risk exhibits a logarithmic dependence on $k$, and $p=2$ where the risk scales linearly with $k$. To establish this separation formally, we also prove a lower bound in the latter scenario, demonstrating that the polynomial dependence on $k$ is unavoidable. Central to our analysis is a novel bound on the Rademacher complexity of low-noise vector-valued linear predictors with a loss template smooth w.r.t.~general $p$-norms.
SafePTR: Token-Level Jailbreak Defense in Multimodal LLMs via Prune-then-Restore Mechanism
Venue: Conference NeurIPS 2025
Year: 2025

By incorporating visual inputs, Multimodal Large Language Models (MLLMs) extend LLMs to support visual reasoning. However, this integration also introduces new vulnerabilities, making MLLMs susceptible to multimodal jailbreak attacks and hindering their safe deployment.Existing defense methods, including Image-to-Text Translation, Safe Prompting, and Multimodal Safety Tuning, attempt to address this by aligning multimodal inputs with LLMs' built-in safeguards.Yet, they fall short in uncovering root causes of multimodal vulnerabilities, particularly how harmful multimodal tokens trigger jailbreak in MLLMs? Consequently, they remain vulnerable to text-driven multimodal jailbreaks, often exhibiting overdefensive behaviors and imposing heavy training overhead.To bridge this gap, we present an comprehensive analysis of where, how and which harmful multimodal tokens bypass safeguards in MLLMs. Surprisingly, we find that less than 1% tokens in early-middle layers are responsible for inducing unsafe behaviors, highlighting the potential of precisely removing a small subset of harmful tokens, without requiring safety tuning, can still effectively improve safety against jailbreaks. Motivated by this, we propose Safe Prune-then-Restore (SafePTR), an training-free defense framework that selectively prunes harmful tokens at vulnerable layers while restoring benign features at subsequent layers.Without incurring additional computational overhead, SafePTR significantly enhances the safety of MLLMs while preserving efficiency. Extensive evaluations across three MLLMs and five benchmarks demonstrate SafePTR's state-of-the-art performance in mitigating jailbreak risks without compromising utility.
NTKMTL: Mitigating Task Imbalance in Multi-Task Learning from Neural Tangent Kernel Perspective
Venue: Conference NeurIPS 2025
Year: 2025

Multi-Task Learning (MTL) enables a single model to learn multiple tasks simultaneously, leveraging knowledge transfer among tasks for enhanced generalization, and has been widely applied across various domains. However, task imbalance remains a major challenge in MTL. Although balancing the convergence speeds of different tasks is an effective approach to address this issue, it is highly challenging to accurately characterize the training dynamics and convergence speeds of multiple tasks within the complex MTL system. To this end, we attempt to analyze the training dynamics in MTL by leveraging Neural Tangent Kernel (NTK) theory and propose a new MTL method, NTKMTL. Specifically, we introduce an extended NTK matrix for MTL and adopt spectral analysis to balance the convergence speeds of multiple tasks, thereby mitigating task imbalance. Based on the approximation via shared representation, we further propose NTKMTL-SR, achieving training efficiency while maintaining competitive performance. Extensive experiments demonstrate that our methods achieve state-of-the-art performance across a wide range of benchmarks, including both multi-task supervised learning and multi-task reinforcement learning. Source code is available at https://github.com/jianke0604/NTKMTL.
A TRIANGLE Enables Multimodal Alignment Beyond Cosine Similarity
Venue: Conference NeurIPS 2025
Year: 2025

Multimodal learning plays a pivotal role in advancing artificial intelligence systems by incorporating information from multiple modalities to build a more comprehensive representation. Despite its importance, current state-of-the-art models still suffer from severe limitations that prevent the successful development of a fully multimodal model. Such methods may not provide indicators that all the involved modalities are effectively aligned. As a result, some modalities may not be aligned, undermining the effectiveness of the model in downstream tasks where multiple modalities should provide additional information that the model fails to exploit. In this paper, we present TRIANGLE: TRI-modAl Neural Geometric LEarning, the novel proposed similarity measure that is directly computed in the higher-dimensional space spanned by the modality embeddings. TRIANGLE improves the joint alignment of three modalities via a triangle-area similarity, avoiding additional fusion layers or pairwise similarities. When incorporated in contrastive losses replacing cosine similarity, TRIANGLE significantly boosts the performance of multimodal modeling, while yielding interpretable alignment rationales. Extensive evaluation in three-modal tasks such as video-text and audio-text retrieval or audio-video classification, demonstrates that TRIANGLE achieves state-of-the-art results across different datasets improving the performance of cosine-based methods up to 9 points of Recall@1.
XVerse: Consistent Multi-Subject Control of Identity and Semantic Attributes via DiT Modulation
Venue: Conference NeurIPS 2025
Year: 2025

Achieving fine-grained control over subject identity and semantic attributes (pose, style, lighting) in text-to-image generation, particularly for multiple subjects, often undermines the editability and coherence of Diffusion Transformers (DiTs). Many approaches introduce artifacts or suffer from attribute entanglement. To overcome these challenges, we propose a novel multi-subject controlled generation model XVerse. By transforming reference images into offsets for token-specific text-stream modulation, XVerse allows for precise and independent control for specific subject without disrupting image latents or features. Consequently, XVerse offers high-fidelity, editable multi-subject image synthesis with robust control over individual subject characteristics and semantic attributes. This advancement significantly improves personalized and complex scene generation capabilities.
Seg2Any: Open-set Segmentation-Mask-to-Image Generation with Precise Shape and Semantic Control
Venue: Conference NeurIPS 2025
Year: 2025

Despite recent advances in diffusion models, top-tier text-to-image (T2I) models still struggle to achieve precise spatial layout control, i.e. accurately generating entities with specified attributes and locations. Segmentation-mask-to-image (S2I) generation has emerged as a promising solution by incorporating pixel-level spatial guidance and regional text prompts. However, existing S2I methods fail to simultaneously ensure semantic consistency and shape consistency. To address these challenges, we propose Seg2Any, a novel S2I framework built upon advanced multimodal diffusion transformers (e.g. FLUX). First, to achieve both semantic and shape consistency, we decouple segmentation mask conditions into regional semantic and high-frequency shape components. The regional semantic condition is introduced by a Semantic Alignment Attention Mask, ensuring that generated entities adhere to their assigned text prompts. The high-frequency shape condition, representing entity boundaries, is encoded as an Entity Contour Map and then introduced as an additional modality via multi-modal attention to guide image spatial structure. Second, to prevent attribute leakage across entities in multi-entity scenarios, we introduce an Attribute Isolation Attention Mask mechanism, which constrains each entity's image tokens to attend exclusively to themselves during image self-attention. To support open-set S2I generation, we construct SACap-1M, a large-scale dataset containing 1 million images with 5.9 million segmented entities and detailed regional captions, along with a SACap-Eval benchmark for comprehensive S2I evaluation. Extensive experiments demonstrate that Seg2Any achieves state-of-the-art performance on both open-set and closed-set S2I benchmarks, particularly in fine-grained spatial and attribute control of entities.
First SFT, Second RL, Third UPT: Continual Improving Multi-Modal LLM Reasoning via Unsupervised Post-Training
Venue: Conference NeurIPS 2025
Year: 2025

Improving Multi-modal Large Language Models (MLLMs) in the post-training stage typically relies on supervised fine-tuning (SFT) or reinforcement learning (RL), which require expensive and manually annotated multi-modal data--an ultimately unsustainable resource. This limitation has motivated a growing interest in unsupervised paradigms as a third stage of post-training after SFT and RL. While recent efforts have explored this direction, their methods are complex and difficult to iterate. To address this, we propose MM-UPT, a simple yet effective framework for unsupervised post-training of MLLMs, enabling continual self-improvement without any external supervision. The training method of MM-UPT builds upon GRPO, replacing traditional reward signals with a self-rewarding mechanism based on majority voting over multiple sampled responses. Our experiments demonstrate that such training method effectively improves the reasoning ability of Qwen2.5-VL-7B (e.g., 66.3\%$\rightarrow$72.9\% on MathVista, 62.9\%$\rightarrow$68.7\% on We-Math), using standard dataset without ground truth labels. To further explore scalability, we extend our framework to a data self-generation setting, designing two strategies that prompt the MLLM to synthesize new training samples on its own. Additional experiments show that combining these synthetic data with the unsupervised training method can also boost performance, highlighting a promising approach for scalable self-improvement. Overall, MM-UPT offers a new paradigm for autonomous enhancement of MLLMs, serving as a critical third step after initial SFT and RL in the absence of external supervision. Our code is available at https://github.com/waltonfuture/MM-UPT.
Learning General Causal Structures with Hidden Dynamic Process for Climate Analysis
Venue: Conference NeurIPS 2025
Year: 2025

Understanding climate dynamics requires going beyond correlations in observational data to uncover their underlying causal process. Latent drivers, such as atmospheric processes, play a critical role in temporal dynamics, while direct causal influences also exist among geographically proximate observed variables. Traditional Causal Representation Learning (CRL) typically focuses on latent factors but overlooks such observable-to-observable causal relations, limiting its applicability to climate analysis. In this paper, we introduce a unified framework that jointly uncovers (i) causal relations among observed variables and (ii) latent driving forces together with their interactions. We establish conditions under which both the hidden dynamic processes and the causal structure among observed variables are simultaneously identifiable from time-series data. Remarkably, our guarantees hold even in the nonparametric setting, leveraging contextual information to recover latent variables and causal relations. Building on these insights, we propose CaDRe (Causal Discovery and Representation learning), a time-series generative model with structural constraints that integrates CRL and causal discovery. Experiments on synthetic datasets validate our theoretical results. On real-world climate datasets, CaDRe not only delivers competitive forecasting accuracy but also recovers visualized causal graphs aligned with domain expertise, thereby offering interpretable insights into climate systems.
On the Optimal Construction of Unbiased Gradient Estimators for Zeroth-Order Optimization
Venue: Conference NeurIPS 2025
Year: 2025

Zeroth-order optimization (ZOO) is an important framework for stochastic optimization when gradients are unavailable or expensive to compute. A potential limitation of existing ZOO methods is the bias inherent in most gradient estimators unless the perturbation stepsize vanishes. In this paper, we overcome this biasedness issue by proposing a novel family of unbiased gradient estimators based solely on function evaluations. By reformulating directional derivatives as a telescoping series and sampling from carefully designed distributions, we construct estimators that eliminate bias while maintaining favorable variance. We analyze their theoretical properties, derive optimal scaling distributions and perturbation stepsizes of four specific constructions, and prove that SGD using the proposed estimators achieves optimal complexity for smooth non-convex objectives. Experiments on synthetic tasks and language model fine-tuning confirm the superior accuracy and convergence of our approach compared to standard methods.