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HyPINO: Multi-Physics Neural Operators via HyperPINNs and the Method of Manufactured Solutions

Neural Information Processing Systems

We present HyPINO, a multi-physics neural operator designed for zero-shot generalization across a broad class of PDEs without requiring task-specific fine-tuning. Our approach combines a Swin Transformer-based hypernetwork with mixed supervision: (i) labeled data from analytical solutions generated via the Method of Manufactured Solutions (MMS), and (ii) unlabeled samples optimized using physics-informed objectives. The model maps PDE parameterizations to target Physics-Informed Neural Networks (PINNs) and can handle linear elliptic, hyperbolic, and parabolic equations in two dimensions with varying source terms, geometries, and mixed Dirichlet/Neumann boundary conditions, including interior boundaries. HyPINO achieves strong zero-shot accuracy on seven benchmark problems from PINN literature, outperforming U-Nets, Poseidon, and Physics-Informed Neural Operators (PINO). Further, we introduce an iterative refinement procedure that treats the residual of the generated PINN as "delta PDE" and performs another forward pass to generate a corrective PINN. Summing their contributions and repeating this process forms an ensemble whose combined solution progressively reduces the error on six benchmarks and achieves a >100 lower L2 loss in the best case, while retaining forward-only inference. Additionally, we evaluate the fine-tuning behavior of PINNs initialized by HyPINO and show that they converge faster and to lower final error than both randomly initialized and Reptilemeta-learned PINNs on five benchmarks, performing on par on the remaining two. Our results highlight the potential of this scalable approach as a foundation for extending neural operators toward solving increasingly complex, nonlinear, and high-dimensional PDE problems. The code and model weights are publicly available at https://github.com/rbischof/hypino.


Variational Inference with Mixtures of Isotropic Gaussians

Neural Information Processing Systems

Variational inference (VI) is a popular approach in Bayesian inference, that looks for the best approximation of the posterior distribution within a parametric family, minimizing a loss that is typically the (reverse) Kullback-Leibler (KL) divergence. In this paper, we focus on the following parametric family: mixtures of isotropic Gaussians (i.e., with diagonal covariance matrices proportional to the identity) and uniform weights. We develop a variational framework and provide efficient algorithms suited for this family. In contrast with mixtures of Gaussian with generic covariance matrices, this choice presents a balance between accurate approximations of multimodal Bayesian posteriors, while being memory and computationally efficient. Our algorithms implement gradient descent on the location of the mixture components (the modes of the Gaussians), and either (an entropic) Mirror or Bures descent on their variance parameters. We illustrate the performance of our algorithms on numerical experiments.


TANDEM: Bi-Level Data Mixture Optimization with Twin Networks

Neural Information Processing Systems

The capabilities of large language models (LLMs) significantly depend on training data drawn from various domains. Optimizing domain-specific mixture ratios can be modeled as a bi-level optimization problem, which we simplify into a singlelevel penalized form and solve with twin networks: a proxy model trained on primary data and a dynamically updated reference model trained with additional data. Our proposed method, Twin Networks for bi-level DatA mixturE optiMization (TANDEM), measures the data efficacy through the difference between the twin models and up-weights domains that benefit more from the additional data. TANDEM provides theoretical guarantees and wider applicability, compared to prior approaches. Furthermore, our bi-level perspective suggests new settings to study domain reweighting such as data-restricted scenarios and supervised finetuning, where optimized mixture ratios significantly improve the performance.


Active Seriation: Efficient Ordering Recovery with Statistical Guarantees

Neural Information Processing Systems

Active seriation aims at recovering an unknown ordering of nitems by adaptively querying pairwise similarities. The observations are noisy measurements of entries of an underlying n npermuted Robinson matrix, whose permutation encodes the latent ordering. The framework allows the algorithm to start with partial information on the latent ordering, including seriation from scratch as a special case. We propose an active seriation algorithm that provably recovers the latent ordering with high probability. Under a uniform separation condition on the similarity matrix, optimal performance guarantees are established, both in terms of the probability of error and the number of observations required for successful recovery.


Towards General Modality Translation with Contrastive and Predictive Latent Diffusion Bridge

Neural Information Processing Systems

Recent advances in generative modeling have positioned diffusion models as stateof-the-art tools for sampling from complex data distributions. While these models have shown remarkable success across single-modality domains such as images and audio, extending their capabilities to Modality Translation (MT), translating information across different sensory modalities, remains an open challenge. Existing approaches often rely on restrictive assumptions, including shared dimensionality, Gaussian source priors, and modality-specific architectures, which limit their generality and theoretical grounding. In this work, we propose the Latent Denoising Diffusion Bridge Model (LDDBM), a general-purpose framework for modality translation based on a latent-variable extension of Denoising Diffusion Bridge Models. By operating in a shared latent space, our method learns a bridge between arbitrary modalities without requiring aligned dimensions. We introduce a contrastive alignment loss to enforce semantic consistency between paired samples and design a domain-agnostic encoder-decoder architecture tailored for noise prediction in latent space. Additionally, we propose a predictive loss to guide training toward accurate cross-domain translation and explore several training strategies to improve stability. Our approach supports arbitrary modality pairs and performs strongly on diverse MT tasks, including multi-view to 3D shape generation, image super-resolution, and multi-view scene synthesis.


d531364f1771e0972c1d11c334a0efb4-Paper-Conference.pdf

Neural Information Processing Systems

Personalized models have demonstrated remarkable success in understanding and generating concepts provided by users. However, existing methods use separate concept tokens for understanding and generation, treating these tasks in isolation. This may result in limitations for generating images with complex prompts. For example, given the concept bo, generating " bo wearing its hat" without additional textual descriptions of its hat. We call this kind of generation personalized attribute-reasoning generation. To address the limitation, we present UniCTokens, a novel framework that effectively integrates personalized information into a unified vision language model (VLM) for understanding and generation. UniCTokens trains a set of unified concept tokens to leverage complementary semantics, boosting two personalized tasks. Moreover, we propose a progressive training strategy with three stages: understanding warm-up, bootstrapping generation from under-Equal contribution.


Optimizing the Unknown: Black Box Bayesian Optimization with Energy-Based Model and Reinforcement Learning

Neural Information Processing Systems

However, these methods often suffer from a significant one-step bias, which may lead to convergence towards local optima and poor performance in complex or high-dimensional tasks. Recently, Black-Box Optimization (BBO) has achieved success across various scientific and engineering domains, particularly when function evaluations are costly and gradients are unavailable. Motivated by this, we propose the Reinforced EnergyBased Model for Bayesian Optimization (REBMBO), which integrates Gaussian Processes (GP) for local guidance with an Energy-Based Model (EBM) to capture global structural information. Notably, we define each Bayesian Optimization iteration as a Markov Decision Process (MDP) and use Proximal Policy Optimization (PPO) for adaptive multi-step lookahead, dynamically adjusting the depth and direction of exploration to effectively overcome the limitations of traditional BO methods. We conduct extensive experiments on synthetic and real-world benchmarks, confirming the superior performance of REBMBO.


Least squares variational inference

Neural Information Processing Systems

Variational inference seeks the best approximation of a target distribution within a chosen family, where "best" means minimising Kullback-Leibler divergence. When the approximation family is exponential, the optimal approximation satisfies a fixed-point equation. We introduce LSVI (Least Squares Variational Inference), a gradient-free, Monte Carlo-based scheme for the fixed-point recursion, where each iteration boils down to performing ordinary least squares regression on tempered log-target evaluations under the variational approximation. We show that LSVI is equivalent to biased stochastic natural gradient descent and use this to derive convergence rates with respect to the numbers of samples and iterations. When the approximation family is Gaussian, LSVI involves inverting the Fisher information matrix, whose size grows quadratically with dimension d. We exploit the regression formulation to eliminate the need for this inversion, yielding O(d3) complexity in the full-covariance case and O(d) in the mean-field case. Finally, we numerically demonstrate LSVI's performance on various tasks, including logistic regression, discrete variable selection, and Bayesian synthetic likelihood, showing results competitive with state-of-the-art methods, even when gradients are unavailable.


Explicit dynamic modelingtime-then-graph model Frequency dynamics Theorem 1. Theorem 2

Neural Information Processing Systems

Dynamic GNNs, which integrate temporal and spatial features in Electroencephalography (EEG) data, have shown great potential in automating seizure detection. However, fully capturing the underlying dynamics necessary to represent brain states, such as seizure and non-seizure, remains a non-trivial task and presents two fundamental challenges. First, most existing dynamic GNN methods are built on temporally fixed static graphs, which fail to reflect the evolving nature of brain connectivity during seizure progression. Second, current efforts to jointly model temporal signals and graph structures and, more importantly, their interactions remain nascent, often resulting in inconsistent performance. To address these challenges, we present the first theoretical analysis of these two problems, demonstrating the effectiveness and necessity of explicit dynamic modeling and time-then-graph dynamic GNN method. Building on these insights, we propose EvoBrain, a novel seizure detection model that integrates a two-stream Mamba architecture with a GCN enhanced by Laplacian Positional Encoding, following neurological insights. Moreover, EvoBrainincorporates explicitly dynamic graph structures, allowing both nodes and edges to evolve over time. Our contributions include (a) a theoretical analysis proving the expressivity advantage of explicit dynamic modeling and time-then-graph over other approaches, (b) a novel and efficient model that significantly improves AUROC by 23% and F1 score by 30%, compared with the dynamic GNN baseline, and (c) broad evaluations of our method on the challenging early seizure prediction task.


Towards Interpretability Without Sacrifice: Faithful Dense Layer Decomposition with Mixture of Decoders

Neural Information Processing Systems

Multilayer perceptrons (MLPs) are an integral part of large language models, yet their dense representations render them difficult to understand, edit, and steer. Recent methods learn interpretable approximations via neuron-level sparsity, yet fail to faithfully reconstruct the original mapping-significantly increasing model's next-token cross-entropy loss. In this paper, we advocate for moving to layer-level sparsity to overcome the accuracy trade-off in sparse layer approximation. Under this paradigm, we introduce Mixture of Decoders (MxDs). MxDs generalize MLPs and Gated Linear Units, expanding pre-trained dense layers into tens of thousands of specialized sublayers. Through a flexible form of tensor factorization, each sparsely activating MxD sublayer implements a linear transformation with fullrank weights-preserving the original decoders' expressive capacity even under heavy sparsity. Experimentally, we show that MxDs significantly outperform state-of-the-art methods (e.g., Transcoders) on the sparsity-accuracy frontier in language models with up to 3B parameters. Further evaluations on sparse probing and feature steering demonstrate that MxDs learn similarly specialized features of natural language-opening up a promising new avenue for designing interpretable yet faithful decompositions. Our code is included at: https://github.com/