OpenRaiser/Intern-Atlas huggingface dataset:
Some Optimizers are More Equal: Understanding the Role of Optimizers in Group Fairness
Venue: Conference NeurIPS 2025
Year: 2025

We study whether and how the choice of optimization algorithm can impact group fairness in deep neural networks. Through stochastic differential equation analysis of optimization dynamics in an analytically tractable setup, we demonstrate that the choice of optimization algorithm indeed influences fairness outcomes, particularly under severe imbalance. Furthermore, we show that when comparing two categories of optimizers, adaptive methods and stochastic methods, RMSProp (from the adaptive category) has a higher likelihood of converging to fairer minima than SGD (from the stochastic category). Building on this insight, we derive two new theoretical guarantees showing that, under appropriate conditions, RMSProp exhibits fairer parameter updates and improved fairness in a single optimization step compared to SGD. We then validate these findings through extensive experiments on three publicly available datasets, namely CelebA, FairFace, and MS-COCO, across different tasks as facial expression recognition, gender classification, and multi-label classification, using various backbones. Considering multiple fairness definitions including equalized odds, equal opportunity, and demographic parity, adaptive optimizers like RMSProp and Adam consistently outperform SGD in terms of group fairness, while maintaining comparable predictive accuracy. Our results highlight the role of adaptive updates as a crucial yet overlooked mechanism for promoting fair outcomes. We release the source code at: https://github.com/Mkolahdoozi/Some-Optimizers-Are-More-Equal.
BundleFlow: Deep Menus for Combinatorial Auctions by Diffusion-Based Optimization
Venue: Conference NeurIPS 2025
Year: 2025

Differentiable economics -- the use of deep learning for auction design -- has driven progress in the automated design of multi-item auctions with additive or unit-demand valuations. However, little progress has been made for optimal combinatorial auctions (CAs), even for the single bidder case, because we need to overcome the challenge of the bundle space growing exponentially with the number of items. For example, when learning a menu of allocation-price choices for a bidder in a CA, each menu element needs to efficiently and flexibly specify a probability distribution on bundles. In this paper, we solve this problem in the single-bidder CA setting by generating a bundle distribution through an ordinary differential equation (ODE) applied to a tractable initial distribution, drawing inspiration from generative models, especially score-based diffusion models and continuous normalizing flow. Our method, BundleFlow, uses deep learning to find suitable ODE-based transforms of initial distributions, one transform for each menu element, so that the overall menu achieves high expected revenue. Our method achieves 1.11$-$2.23$\times$ higher revenue compared with automated mechanism design baselines on the single-bidder version of CATS, a standard CA testbed, and scales to problems with up to 150 items. Relative to a baseline that also learns allocations in menu elements, our method reduces the training iterations by 3.6$-$9.5$\times$ and cuts training time by about 80% in settings with 50 and 100 items.
Evaluating Frontier Models for Stealth and Situational Awareness
Venue: Conference NeurIPS 2025
Year: 2025

Recent work has demonstrated the plausibility of frontier AI models scheming -- knowingly and covertly pursuing an objective misaligned with its developer's intentions. Such behavior could be very hard to detect, and if present in future advanced systems, could pose severe loss of control risk. It is therefore important for AI developers to rule out harm from scheming prior to model deployment. In this paper, we present a suite of scheming reasoning evaluations measuring two types of reasoning capabilities that we believe are prerequisites for successful scheming: First, we propose five evaluations of ability to reason about and circumvent oversight (stealth). Second, we present eleven evaluations for measuring a model's ability to instrumentally reason about itself, its environment and its deployment (situational awareness). We demonstrate how these evaluations can be used as part of a scheming inability safety case: a model that does not succeed on these evaluations is almost certainly incapable of causing severe harm via scheming in real deployment. We run our evaluations on current frontier models and find that none of them show concerning levels of either situational awareness or stealth.
Transductive Conformal Inference for Full Ranking
Venue: Conference NeurIPS 2025
Year: 2025

We introduce a method based on Conformal Prediction (CP) to quantify the uncertainty of full ranking algorithms. We focus on a specific scenario where $n+m$ items are to be ranked by some ``black box'' algorithm. It is assumed that the relative (ground truth) ranking of $n$ of them is known. The objective is then to quantify the error made by the algorithm on the ranks of the $m$ new items among the total $(n+m)$. In such a setting, the true ranks of the $n$ original items in the total $(n+m)$ depend on the (unknown) true ranks of the $m$ new ones. Consequently, we have no direct access to a calibration set to apply a classical CP method. To address this challenge, we propose to construct distribution-free bounds of the unknown conformity scores using recent results on the distribution of conformal p-values. Using these scores upper bounds, we provide valid prediction sets for the rank of any item. We also control the false coverage proportion, a crucial quantity when dealing with multiple prediction sets. Finally, we empirically show on both synthetic and real data the efficiency of our CP method for state-of-the-art algorithms such as RankNet or LambdaMart.
In-Context Learning of Stochastic Differential Equations with Foundation Inference Models
Venue: Conference NeurIPS 2025
Year: 2025

Stochastic differential equations (SDEs) describe dynamical systems where deterministic flows, governed by a drift function, are superimposed with random fluctuations, dictated by a diffusion function. The accurate estimation (or discovery) of these functions from data is a central problem in machine learning, with wide application across the natural and social sciences. Yet current solutions either rely heavily on prior knowledge of the dynamics or involve intricate training procedures. We introduce FIM-SDE (Foundation Inference Model for SDEs), a pretrained recognition model that delivers accurate in-context (or zero-shot) estimation of the drift and diffusion functions of low-dimensional SDEs, from noisy time series data, and allows rapid finetuning to target datasets. Leveraging concepts from amortized inference and neural operators, we (pre)train FIM-SDE in a supervised fashion to map a large set of noisy, discretely observed SDE paths onto the space of drift and diffusion functions. We demonstrate that FIM-SDE achieves robust in-context function estimation across a wide range of synthetic and real-world processes -- from canonical SDE systems (e.g., double-well dynamics or weakly perturbed Lorenz attractors) to stock price recordings and oil-price and wind-speed fluctuations -- while matching the performance of symbolic, Gaussian process and Neural SDE baselines trained on the target datasets. When finetuned to the target processes, we show that FIM-SDE consistently outperforms all these baselines.
ZEUS: Zero-shot Embeddings for Unsupervised Separation of Tabular Data
Venue: Conference NeurIPS 2025
Year: 2025

Clustering tabular data remains a significant open challenge in data analysis and machine learning. Unlike for image data, similarity between tabular records often varies across datasets, making the definition of clusters highly dataset-dependent. Furthermore, the absence of supervised signals complicates hyperparameter tuning in deep learning clustering methods, frequently resulting in unstable performance. To address these issues and reduce the need for per-dataset tuning, we adopt an emerging approach in deep learning: zero-shot learning. We propose ZEUS, a self-contained model capable of clustering new datasets without any additional training or fine-tuning. It operates by decomposing complex datasets into meaningful components that can then be clustered effectively. Thanks to pre-training on synthetic datasets generated from a latent-variable prior, it generalizes across various datasets without requiring user intervention. To the best of our knowledge, ZEUS is the first zero-shot method capable of generating embeddings for tabular data in a fully unsupervised manner. Experimental results demonstrate that it performs on par with or better than traditional clustering algorithms and recent deep learning-based methods, while being significantly faster and more user-friendly.
A solvable model of learning generative diffusion: theory and insights
Venue: Conference NeurIPS 2025
Year: 2025

In this manuscript, we consider the problem of learning a flow or diffusion-based generative model parametrized by a two-layer auto-encoder, trained with online stochastic gradient descent, on a high-dimensional target density with an underlying low-dimensional manifold structure. We derive a tight asymptotic characterization of low-dimensional projections of the distribution of samples generated by the learned model, ascertaining in particular its dependence on the number of training samples. Building on this analysis, we discuss how mode collapse can arise, and lead to model collapse when the generative model is re-trained on generated synthetic data.
Incentivizing Truthful Language Models via Peer Elicitation Games
Venue: Conference NeurIPS 2025
Year: 2025

Large Language Models (LLMs) have demonstrated strong generative capabilities but remain prone to inconsistencies and hallucinations. We introduce Peer Elicitation Games (PEG), a training-free, game-theoretic framework for aligning LLMs through a peer elicitation mechanism involving a generator and multiple discriminators instantiated from distinct base models. Discriminators interact in a peer evaluation setting, where utilities are computed using a determinant-based mutual information score that provably incentivizes truthful reporting without requiring ground-truth labels. We establish theoretical guarantees showing that each agent, via online learning, achieves sublinear regret in the sense their cumulative performance approaches that of the best fixed truthful strategy in hindsight. Moreover, we prove last-iterate convergence to a truthful Nash equilibrium, ensuring that the actual policies used by agents converge to stable and truthful behavior over time. Empirical evaluations across multiple benchmarks demonstrate significant improvements in factual accuracy. These results position PEG as a practical approach for eliciting truthful behavior from LLMs without supervision or fine-tuning.
Is PRM Necessary? Problem-Solving RL Implicitly Induces PRM Capability in LLMs
Venue: Conference NeurIPS 2025
Year: 2025

The development of reasoning capabilities represents a critical frontier in large language models (LLMs) research, where reinforcement learning (RL) and process reward models (PRMs) have emerged as predominant methodological frameworks. Contrary to conventional wisdom, empirical evidence from DeepSeek-R1 demonstrates that pure RL training focused on mathematical problem-solving can progressively enhance reasoning abilities without PRM integration, challenging the perceived necessity of process supervision. In this study, we conduct a systematic investigation of the relationship between RL training and PRM capabilities. Our findings demonstrate that problem-solving proficiency and process supervision capabilities represent complementary dimensions of reasoning that co-evolve synergistically during pure RL training. In particular, current PRMs underperform simple baselines like majority voting when applied to state-of-the-art models such as DeepSeek-R1 and QwQ-32B. To address this limitation, we propose Self-PRM, an introspective framework in which models autonomously evaluate and rerank their generated solutions through self-reward mechanisms. Although Self-PRM consistently improves the accuracy of the benchmark (particularly with larger sample sizes), analysis exposes persistent challenges: The approach exhibits low precision (<10\%) on difficult problems, frequently misclassifying flawed solutions as valid. These analyses underscore the need for continued RL scaling to improve reward alignment and introspective accuracy. Overall, our findings suggest that PRM may not be essential for enhancing complex reasoning, as pure RL not only improves problem-solving skills but also inherently fosters robust PRM capabilities. We hope these findings provide actionable insights for building more reliable and self-aware complex reasoning models.
RIGNO: A Graph-based Framework For Robust And Accurate Operator Learning For PDEs On Arbitrary Domains
Venue: Conference NeurIPS 2025
Year: 2025

Learning the solution operators of PDEs on arbitrary domains is challenging due to the diversity of possible domain shapes, in addition to the often intricate underlying physics. We propose an end-to-end graph neural network (GNN) based neural operator to learn PDE solution operators from data on point clouds in arbitrary domains. Our multi-scale model maps data between input/output point clouds by passing it through a downsampled regional mesh. The approach includes novel elements aimed at ensuring spatio-temporal resolution invariance. Our model, termed RIGNO, is tested on a challenging suite of benchmarks composed of various time-dependent and steady PDEs defined on a diverse set of domains. We demonstrate that RIGNO is significantly more accurate than neural operator baselines and robustly generalizes to unseen resolutions both in space and in time. Our code is publicly available at github.com/camlab-ethz/rigno.
VESSA: Video-based objEct-centric Self-Supervised Adaptation for Visual Foundation Models
Venue: Conference NeurIPS 2025
Year: 2025

Foundation models have advanced computer vision by enabling strong performance across diverse tasks through large-scale pretraining and supervised fine-tuning. However, they may underperform in domains with distribution shifts and scarce labels, where supervised fine-tuning may be infeasible. While continued self-supervised learning for model adaptation is common for generative language models, this strategy has not proven effective for vision-centric encoder models. To address this challenge, we introduce a novel formulation of self-supervised fine-tuning for vision foundation models, where the model is adapted to a new domain without requiring annotations, leveraging only short multi-view object-centric videos. Our method is referred to as VESSA: Video-based objEct-centric Self-Supervised Adaptation for visual foundation models. VESSA's training technique is based on a self-distillation paradigm, where it is critical to carefully tune prediction heads and deploy parameter-efficient adaptation techniques - otherwise, the model may quickly forget its pretrained knowledge and reach a degraded state. VESSA benefits significantly from multi-view object observations sourced from different frames in an object-centric video, efficiently learning robustness to varied capture conditions, without the need of annotations. Through comprehensive experiments with 3 vision foundation models on 2 datasets, VESSA demonstrates consistent improvements in downstream classification tasks, compared to the base models and previous adaptation methods. Code is publicly available at https://github.com/jesimonbarreto/VESSA.
FLUX: Efficient Descriptor-Driven Clustered Federated Learning under Arbitrary Distribution Shifts
Venue: Conference NeurIPS 2025
Year: 2025

Federated Learning (FL) enables collaborative model training across multiple clients while preserving data privacy. Traditional FL methods often use a global model to fit all clients, assuming that clients' data are independent and identically distributed (IID). However, when this assumption does not hold, the global model accuracy may drop significantly, limiting FL applicability in real-world scenarios. To address this gap, we propose FLUX, a novel clustering-based FL (CFL) framework that addresses the four most common types of distribution shifts during both training and test time. To this end, FLUX leverages privacy-preserving client-side descriptor extraction and unsupervised clustering to ensure robust performance and scalability across varying levels and types of distribution shifts. Unlike existing CFL methods addressing non-IID client distribution shifts, FLUX i) does not require any prior knowledge of the types of distribution shifts or the number of client clusters, and ii) supports test-time adaptation, enabling unseen and unlabeled clients to benefit from the most suitable cluster-specific models. Extensive experiments across four standard benchmarks, two real-world datasets and ten state-of-the-art baselines show that FLUX improves performance and stability under diverse distribution shifts, achieving an average accuracy gain of up to 23 percentage points over the best-performing baselines, while maintaining computational and communication overhead comparable to FedAvg.
Differentiable Generalized Sliced Wasserstein Plans
Venue: Conference NeurIPS 2025
Year: 2025

Optimal Transport (OT) has attracted significant interest in the machine learning community, not only for its ability to define meaningful distances between probability distributions -- such as the Wasserstein distance -- but also for its formulation of OT plans. Its computational complexity remains a bottleneck, though, and slicing techniques have been developed to scale OT to large datasets. Recently, a novel slicing scheme, dubbed min-SWGG, lifts a single one-dimensional plan back to the original multidimensional space, finally selecting the slice that yields the lowest Wasserstein distance as an approximation of the full OT plan. Despite its computational and theoretical advantages, min-SWGG inherits typical limitations of slicing methods: (i) the number of required slices grows exponentially with the data dimension, and (ii) it is constrained to linear projections. Here, we reformulate min-SWGG as a bilevel optimization problem and propose a differentiable approximation scheme to efficiently identify the optimal slice, even in high-dimensional settings. We furthermore define its generalized extension for accommodating to data living on manifolds. Finally, we demonstrate the practical value of our approach in various applications, including gradient flows on manifolds and high-dimensional spaces, as well as a novel sliced OT-based conditional flow matching for image generation -- where fast computation of transport plans is essential.
SpecMER: Fast Protein Generation with K-mer Guided Speculative Decoding
Venue: Conference NeurIPS 2025
Year: 2025

Autoregressive models have transformed protein engineering by enabling the generation of novel protein sequences beyond those found in nature. However, their sequential inference introduces significant latency, limiting their utility in high-throughput protein screening. Speculative decoding accelerates generation by employing a lightweight draft model to sample tokens, which a larger target model then verifies and refines. Yet, in protein sequence generation, draft models are typically agnostic to the structural and functional constraints of the target protein, leading to biologically implausible outputs and a shift in the likelihood distribution of generated sequences. We introduce SpecMER (Speculative Decoding via k-mer Guidance), a novel framework that incorporates biological, structural, and functional priors using k-mer motifs extracted from multiple sequence alignments. By scoring candidate sequences in parallel and selecting those most consistent with known biological patterns, SpecMER significantly improves sequence plausibility while retaining the efficiency of speculative decoding. SpecMER achieves 24-32% speedup over standard autoregressive decoding, along with higher acceptance rates and improved sequence likelihoods.
SpecEdge: Scalable Edge-Assisted Serving Framework for Interactive LLMs
Venue: Conference NeurIPS 2025
Year: 2025

Large language models (LLMs) power many modern applications, but serving them at scale remains costly and resource-intensive. Current server-centric systems overlook consumer-grade GPUs at the edge. We introduce SpecEdge, an edge-assisted inference framework that splits LLM workloads between edge and server GPUs using a speculative decoding scheme, exchanging only token outputs over the network. SpecEdge employs proactive edge drafting to overlap edge token creation with server verification and pipeline-aware scheduling that interleaves multiple user requests to increase server-side throughput. Experiments show SpecEdge enhances overall cost efficiency by 1.91x through achieving 2.22x server throughput, and reduces inter token latency by 11.24% compared to a server-only baseline, introducing a scalable, cost-effective paradigm for LLM serving. The code is available at https://github.com/kaist-ina/specedge
Mitigating Intra- and Inter-modal Forgetting in Continual Learning of Unified Multimodal Models
Venue: Conference NeurIPS 2025
Year: 2025

Unified Multimodal Generative Models (UMGMs) unify visual understanding and image generation within a single autoregressive framework. However, their ability to continually learn new tasks is severely hindered by catastrophic forgetting, both within a modality (intra-modal) and across modalities (inter-modal). While intra-modal forgetting has been studied in prior continual learning (CL) work, inter-modal forgetting remains largely unexplored. In this paper, we identify and empirically validate this phenomenon in UMGMs and provide a theoretical explanation rooted in gradient conflict between modalities. To address both intra- and inter-modal forgetting, we propose Modality-Decoupled Experts (MoDE), a lightweight and scalable architecture that isolates modality-specific updates to mitigate the gradient conflict and leverages knowledge distillation to prevent catastrophic forgetting and preserve pre-trained capabilities. Unlike previous CL methods that remain modality-coupled and suffer from modality gradient conflict, MoDE explicitly decouples modalities to prevent interference. Experiments across diverse benchmarks demonstrate that MoDE significantly mitigates both inter- and intra-modal forgetting, outperforming prior CL baselines in unified multimodal generation settings. Codes will be publicly available: https://github.com/Christina200/MoDE-official.git