OpenRaiser/Intern-Atlas huggingface dataset:
PhysVLM-AVR: Active Visual Reasoning for Multimodal Large Language Models in Physical Environments
Venue: Conference NeurIPS 2025
Year: 2025

Visual reasoning in multimodal large language models (MLLMs) has primarily been studied in static, fully observable settings, limiting their effectiveness in real-world environments where information is often incomplete due to occlusion or limited field of view. Humans, in contrast, actively explore and interact with their environment-moving, examining, and manipulating objects-to gather information through a closed-loop process integrating perception, reasoning, and action. Inspired by this human capability, we introduce the Active Visual Reasoning (AVR) task, extending visual reasoning to partially observable, interactive environments. AVR necessitates agents to: (1) actively acquire information via sequential physical actions, (2) integrate observations across multiple steps for coherent reasoning, and (3) dynamically adjust decisions based on evolving visual feedback. To rigorously evaluate AVR, we introduce CLEVR-AVR, a simulation benchmark featuring multi-round interactive environments designed to assess both reasoning correctness and information-gathering efficiency. We present AVR-152k, a large-scale dataset that offers rich Chain-of-Thought (CoT) annotations detailing iterative reasoning for uncertainty identification, action-conditioned information gain prediction, and information-maximizing action selection, crucial for training agents in a higher-order Markov Decision Process. Building on this, we develop PhysVLM-AVR, an MLLM achieving state-of-the-art performance on CLEVR-AVR, embodied reasoning (OpenEQA, RoboVQA), and passive visual reasoning (GeoMath, Geometry30K). Our analysis also reveals that current embodied MLLMs, despite detecting information incompleteness, struggle to actively acquire and integrate new information through interaction, highlighting a fundamental gap in active reasoning capabilities.
Spurious-Aware Prototype Refinement for Reliable Out-of-Distribution Detection
Venue: Conference NeurIPS 2025
Year: 2025

Out-of-distribution (OOD) detection is crucial for ensuring the reliability and safety of machine learning models in real-world applications, where they frequently face data distributions unseen during training. Despite progress, existing methods are often vulnerable to spurious correlations that mislead models and compromise robustness. To address this, we propose SPROD, a novel prototype-based OOD detection approach that explicitly addresses the challenge posed by unknown spurious correlations. Our post-hoc method refines class prototypes to mitigate bias from spurious features without additional data or hyperparameter tuning, and is broadly applicable across diverse backbones and OOD detection settings. We conduct a comprehensive spurious correlation OOD detection benchmarking, comparing our method against existing approaches and demonstrating its superior performance across challenging OOD datasets, such as CelebA, Waterbirds, UrbanCars, Spurious Imagenet, and the newly introduced Animals MetaCoCo. On average, SPROD improves AUROC by 4.8% and FPR@95 by 9.4% over the second best.
Understanding Outer Optimizers in Local SGD: Learning Rates, Momentum, and Acceleration
Venue: Conference NeurIPS 2025
Year: 2025

Modern machine learning often requires training with large batch size, distributed data, and massively parallel compute hardware (like mobile and other edge devices or distributed data centers). Communication becomes a major bottleneck in such settings but methods like Local Stochastic Gradient Descent (Local SGD) show great promise in reducing this additional communication overhead. Local SGD consists of three parts: a local optimization process, an aggregation mechanism, and an outer optimizer that uses the aggregated updates from the nodes to produce a new model. While there exists an extensive literature on understanding the impact of hyperparameters in the local optimization process, the choice of outer optimizer and its hyperparameters is less clear. We study the role of the outer optimizer in Local SGD, and prove new convergence guarantees for the algorithm. In particular, we show that tuning the outer learning rate allows us to (a) trade off between optimization error and stochastic gradient noise variance, and (b) make up for ill-tuning of the inner learning rate. Our theory suggests that the outer learning rate should sometimes be set to values greater than $1$. We extend our results to settings where we use momentum in the outer optimizer, and we show a similar role for the momentum-adjusted outer learning rate. We also study acceleration in the outer optimizer and show that it improves the convergence rate as a function of the number of communication rounds, improving upon the convergence rate of prior algorithms that apply acceleration locally. Finally, we also introduce a novel data-dependent analysis of Local SGD that yields further insights on outer learning rate tuning. We conduct comprehensive experiments with standard language models and various outer optimizers to validate our theory.
Beyond Greedy Exits: Improved Early Exit Decisions for Risk Control and Reliability
Venue: Conference NeurIPS 2025
Year: 2025

Early-Exit Deep Neural Networks enable adaptive inference by allowing prediction at intermediary layers, significantly reducing computational costs and latency. Most of the early exit strategies greedily exit a sample at an intermediary layer if the confidence in class prediction exceeds a predefined threshold that is set using a static validation set. This is problematic as the model might be overconfident in a wrong class. Also, they are not robust to distribution shifts encountered in deployment, which can undermine model trustworthiness and accuracy. To address these challenges, we propose UAT that adapts the threshold for exit decisions using a Multi-Armed Bandit framework, enabling online, unsupervised adjustment of exit decisions. UAT makes decisions based on a new reward function that assesses predictive certainty and its reliability to balance computational efficiency and prediction quality while penalizing unnecessary late exits. We provide guarantees on risk achieved by UAT and validate its performance on diverse tasks spanning vision-language understanding, text generation, and classification. Our framework demonstrates consistent improvements in speedup (1.70-2.10x) with a minimal performance drop (<2%) as compared to full model performance. Our source code is available at https://github.com/Div290/UAT.
Stability and Sharper Risk Bounds with Convergence Rate $\tilde{O}(1/n^2)$
Venue: Conference NeurIPS 2025
Year: 2025

Prior work (Klochkov $\&$ Zhivotovskiy, 2021) establishes at most $O\left(\log (n)/n\right)$ excess risk bounds via algorithmic stability for strongly-convex learners with high probability. We show that under the similar common assumptions -- - Polyak-Lojasiewicz condition, smoothness, and Lipschitz continous for losses -- - rates of $O\left(\log^2(n)/n^2\right)$ are at most achievable. To our knowledge, our analysis also provides the tightest high-probability bounds for gradient-based generalization gaps in nonconvex settings.
Learning Task-Agnostic Representations through Multi-Teacher Distillation
Venue: Conference NeurIPS 2025
Year: 2025

Casting complex inputs into tractable representations is a critical step across various fields. Diverse embedding models emerge from differences in architectures, loss functions, input modalities and datasets, each capturing unique aspects of the input. Multi-teacher distillation leverages this diversity to enrich representations but often remains tailored to specific tasks. In this paper, we introduce a task-agnostic framework based on a ``majority vote" objective function. We demonstrate that this function is bounded by the mutual information between student and teachers' embeddings, leading to a task-agnostic distillation loss that eliminates dependence on task-specific labels or prior knowledge. Our evaluations across text, vision models, and molecular modeling show that our method effectively leverages teacher diversity, resulting in representations enabling better performance for a wide range of downstream tasks such as classification, clustering, or regression. Additionally, we train and release state-of-the-art embedding models, enhancing downstream performance in various modalities.
Reducing the Probability of Undesirable Outputs in Language Models Using Probabilistic Inference
Venue: Conference NeurIPS 2025
Year: 2025

Reinforcement learning (RL) has become a predominant technique to align language models (LMs) with human preferences or promote outputs which are deemed to be desirable by a given reward function. Standard RL approaches optimize average reward, while methods explicitly focused on reducing the probability of undesired outputs typically come at a cost to average-case performance. To improve this tradeoff, we introduce RePULSe, a new training method that augments the standard RL loss with an additional loss that uses learned proposals to guide sampling low-reward outputs, and then reduces those outputs' probability. We run experiments demonstrating that RePULSe produces a better tradeoff of expected reward versus the probability of undesired outputs and is more adversarially robust, compared to standard RL alignment approaches and alternatives.
Stratify or Die: Rethinking Data Splits in Image Segmentation
Venue: Conference NeurIPS 2025
Year: 2025

Random splitting of datasets in image segmentation often leads to unrepresentative test sets, resulting in biased evaluations and poor model generalization. While stratified sampling has proven effective for addressing label distribution imbalance in classification tasks, extending these ideas to segmentation remains challenging due to the multi-label structure and class imbalance typically present in such data. Building on existing stratification concepts, we introduce Iterative Pixel Stratification (IPS), a straightforward, label-aware sampling method tailored for segmentation tasks. Additionally, we present Wasserstein-Driven Evolutionary Stratification (WDES), a novel genetic algorithm designed to minimize the Wasserstein distance, thereby optimizing the similarity of label distributions across dataset splits. We prove that WDES is globally optimal given enough generations. Using newly proposed statistical heterogeneity metrics, we evaluate both methods against random sampling and find that WDES consistently produces more representative splits. Applying WDES across diverse segmentation tasks, including street scenes, medical imaging, and satellite imagery, leads to lower performance variance and improved model evaluation. Our results also highlight the particular value of WDES in handling small, imbalanced, and low-diversity datasets, where conventional splitting strategies are most prone to bias.
Towards a Golden Classifier-Free Guidance Path via Foresight Fixed Point Iterations
Venue: Conference NeurIPS 2025
Year: 2025

Classifier-Free Guidance (CFG) is an essential component of text-to-image diffusion models, and understanding and advancing its operational mechanisms remains a central focus of research. Existing approaches stem from divergent theoretical interpretations, thereby limiting the design space and obscuring key design choices. To address this, we propose a unified perspective that reframes conditional guidance as fixed point iterations, seeking to identify a golden path where latents produce consistent outputs under both conditional and unconditional generation. We demonstrate that CFG and its variants constitute a special case of single-step short-interval iteration, which is theoretically proven to exhibit inefficiency. To this end, we introduce Foresight Guidance (FSG), which prioritizes solving longer-interval subproblems in early diffusion stages with increased iterations. Extensive experiments across diverse datasets and model architectures validate the superiority of FSG over state-of-the-art methods in both image quality and computational efficiency. Our work offers novel perspectives for conditional guidance and unlocks the potential of adaptive design.
Mixture-of-Recursions: Learning Dynamic Recursive Depths for Adaptive Token-Level Computation
Venue: Conference NeurIPS 2025
Year: 2025

Scaling language models unlocks impressive capabilities, but the accompanying computational and memory demands make both training and deployment expensive. Existing efficiency efforts typically target either parameter sharing or adaptive computation, leaving open the question of how to attain both simultaneously. We introduce Mixture-of-Recursions (MoR), a unified framework that combines the two axes of efficiency inside a single Recursive Transformer. MoR reuses a shared stack of layers across recursion steps to achieve parameter efficiency, while lightweight routers enable adaptive token-level thinking by dynamically assigning different recursion depths to individual tokens. This allows MoR to focus quadratic attention computation only among tokens still active at a given recursion depth, further improving memory access efficiency by selectively caching only their key-value pairs. Beyond these core mechanisms, we also propose a KV sharing variant that reuses KV pairs from the first recursion, specifically designed to further decrease memory footprint. Across model scales ranging from 135M to 1.7B parameters, MoR forms a new Pareto frontier: at equal training FLOPs and smaller model sizes, it significantly lowers validation perplexity and improves few-shot accuracy, while delivering higher throughput compared with vanilla and existing recursive baselines. These gains demonstrate that MoR is an effective path towards large-model quality without incurring large-model cost.
DictPFL: Efficient and Private Federated Learning on Encrypted Gradients
Venue: Conference NeurIPS 2025
Year: 2025

Federated Learning (FL) enables collaborative model training across institutions without sharing raw data. However, gradient sharing still risks privacy leakage, such as gradient inversion attacks. Homomorphic Encryption (HE) can secure aggregation but often incurs prohibitive computational and communication overhead. Existing HE-based FL methods sit at two extremes: encrypting all gradients for full privacy at high cost, or partially encrypting gradients to save resources while exposing vulnerabilities. We present DictPFL, a practical framework that achieves full gradient protection with minimal overhead. DictPFL encrypts every transmitted gradient while keeping non-transmitted parameters local, preserving privacy without heavy computation. It introduces two key modules: Decompose-for-Partial-Encrypt (DePE), which decomposes model weights into a static dictionary and an updatable lookup table, only the latter is encrypted and aggregated, while the static dictionary remains local and requires neither sharing nor encryption; and Prune-for-Minimum-Encrypt (PrME), which applies encryption-aware pruning to minimize encrypted parameters via consistent, history-guided masks. Experiments show that DictPFL reduces communication cost by 402-748$\times$ and accelerates training by 28-65$\times$ compared to fully encrypted FL, while outperforming state-of-the-art selective encryption methods by 51-155$\times$ in overhead and 4-19$\times$ in speed. Remarkably, DictPFL's runtime is within 2$\times$ of plaintext FL, demonstrating for the first time, that HE-based private federated learning is practical for real-world deployment. The code is publicly available at https://github.com/UCF-ML-Research/DictPFL.
HELM: Hyperbolic Large Language Models via Mixture-of-Curvature Experts
Venue: Conference NeurIPS 2025
Year: 2025

Large language models (LLMs) have shown great success in text modeling tasks across domains. However, natural language exhibits inherent semantic hierarchies and nuanced geometric structure, which current LLMs do not capture completely owing to their reliance on Euclidean operations. Recent studies have also shown that not respecting the geometry of token embeddings leads to training instabilities and degradation of generative capabilities. These findings suggest that shifting to non-Euclidean geometries can better align language models with the underlying geometry of text. We thus propose to operate fully in Hyperbolic space, known for its expansive, scale-free, and low-distortion properties. We thus introduce HELM, a family of HypErbolic Large Language Models, offering a geometric rethinking of the Transformer-based LLM that addresses the representational inflexibility, missing set of necessary operations, and poor scalability of existing hyperbolic LMs. We additionally introduce a Mixture-of-Curvature Experts model, HELM-MICE, where each expert operates in a distinct curvature space to encode more fine-grained geometric structure from text, as well as a dense model, HELM-D. For HELM-MICE, we further develop hyperbolic Multi-Head Latent Attention (HMLA) for efficient, reduced-KV-cache training and inference. For both models, we develop essential hyperbolic equivalents of rotary positional encodings and RMS normalization. We are the first to train fully hyperbolic LLMs at billion-parameter scale, and evaluate them on well-known benchmarks such as MMLU and ARC, spanning STEM problem-solving, general knowledge, and commonsense reasoning. Our results show consistent gains from our HELM architectures -- up to 4% -- over popular Euclidean architectures used in LLaMA and DeepSeek, highlighting the efficacy and enhanced reasoning afforded by hyperbolic geometry in large-scale LM pretraining.
Transformers are almost optimal metalearners for linear classification
Venue: Conference NeurIPS 2025
Year: 2025

Transformers have demonstrated impressive in-context learning (ICL) capabilities, raising the question of whether they can serve as metalearners that adapt to new tasks using only a small number of in-context examples, without any further training. While recent theoretical work has studied transformers' ability to perform ICL, most of these analyses do not address the formal metalearning setting, where the objective is to solve a collection of related tasks more efficiently than would be possible by solving each task individually. In this paper, we provide the first theoretical analysis showing that a simplified transformer architecture trained via gradient descent can act as a near-optimal metalearner in a linear classification setting. We consider a natural family of tasks where each task corresponds to a class-conditional Gaussian mixture model, with the mean vectors lying in a shared $k$-dimensional subspace of $R^d$. After training on a sufficient number of such tasks, we show that the transformer can generalize to a new task using only $O(k / R^4)$ in-context examples, where $R$ denotes the signal strength at test time. This performance (almost) matches that of an optimal learner that knows exactly the shared subspace and significantly outperforms any learner that only has access to the in-context data, which requires $Ω(d / R^4)$ examples to generalize. Importantly, our bounds on the number of training tasks and examples per task needed to achieve this result are independent of the ambient dimension $d$.
Set-LLM: A Permutation-Invariant LLM
Venue: Conference NeurIPS 2025
Year: 2025

While large language models (LLMs) demonstrate impressive capabilities across numerous applications, their robustness remains a critical concern. This paper is motivated by a specific vulnerability: the order sensitivity of LLMs. This vulnerability manifests itself as the order bias observed when LLMs decide between possible options (for example, a preference for the first option) and the tendency of LLMs to provide different answers when options are reordered. The use cases for this scenario extend beyond the classical case of multiple-choice question answering to the use of LLMs as automated evaluators in AI pipelines, comparing output generated by different models. We introduce Set-LLM, a novel architectural adaptation for pretrained LLMs that enables the processing of mixed set-text inputs with permutation invariance guarantees. The adaptations involve a new attention mask and new positional encodings specifically designed for sets. We provide a theoretical proof of invariance and demonstrate through experiments that Set-LLM can be trained effectively, achieving comparable or improved performance and maintaining the runtime of the original model, while eliminating order sensitivity.
MEIcoder: Decoding Visual Stimuli from Neural Activity by Leveraging Most Exciting Inputs
Venue: Conference NeurIPS 2025
Year: 2025

Decoding visual stimuli from neural population activity is crucial for understanding the brain and for applications in brain-machine interfaces. However, such biological data is often scarce, particularly in primates or humans, where high-throughput recording techniques, such as two-photon imaging, remain challenging or impossible to apply. This, in turn, poses a challenge for deep learning decoding techniques. To overcome this, we introduce MEIcoder, a biologically informed decoding method that leverages neuron-specific most exciting inputs (MEIs), a structural similarity index measure loss, and adversarial training. MEIcoder achieves state-of-the-art performance in reconstructing visual stimuli from single-cell activity in primary visual cortex (V1), especially excelling on small datasets with fewer recorded neurons. Using ablation studies, we demonstrate that MEIs are the main drivers of the performance, and in scaling experiments, we show that MEIcoder can reconstruct high-fidelity natural-looking images from as few as 1,000-2,500 neurons and less than 1,000 training data points. We also propose a unified benchmark with over 160,000 samples to foster future research. Our results demonstrate the feasibility of reliable decoding in early visual system and provide practical insights for neuroscience and neuroengineering applications.
Light-Weight Diffusion Multiplier and Uncertainty Quantification for Fourier Neural Operators
Venue: Conference NeurIPS 2025
Year: 2025

Operator learning is a powerful paradigm for solving partial differential equations, with Fourier Neural Operators serving as a widely adopted foundation. However, FNOs face significant scalability challenges due to overparameterization and offer no native uncertainty quantification -- a key requirement for reliable scientific and engineering applications. Instead, neural operators rely on post hoc UQ methods that ignore geometric inductive biases. In this work, we introduce DINOZAUR: a diffusion-based neural operator parametrization with uncertainty quantification. Inspired by the structure of the heat kernel, DINOZAUR replaces the dense tensor multiplier in FNOs with a dimensionality-independent diffusion multiplier that has a single learnable time parameter per channel, drastically reducing parameter count and memory footprint without compromising predictive performance. By defining priors over those time parameters, we cast DINOZAUR as a Bayesian neural operator to yield spatially correlated outputs and calibrated uncertainty estimates. Our method achieves competitive or superior performance across several PDE benchmarks while providing efficient uncertainty quantification.