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Deep Learning · Generative Models and Autoencoders

Yue Song, Andy Keller, Sevan Brodjian, Takeru Miyato, Yisong Yue, Pietro Perona, Max Welling

Orientation-rich images, such as fingerprints and textures, often exhibit coherent angular directional patterns that are challenging to model using standard generative approaches based on isotropic Euclidean diffusion. Motivated by the role of phase synchronization in biological systems, we propose a score-based generative model built on periodic domains by leveraging stochastic Kuramoto dynamics in the diffusion process. In neural and physical systems, Kuramoto models capture synchronization phenomena across coupled oscillators -- a behavior that we re-purpose here as an inductive bias for structured image generation. In our framework, the forward process performs \textit{synchronization} among phase variables through globally or locally coupled oscillator interactions and attraction to a global reference phase, gradually collapsing the data into a low-entropy von Mises distribution. The reverse process then performs \textit{desynchronization}, generating diverse patterns by reversing the dynamics with a learned score function. This approach enables structured destruction during forward diffusion and a hierarchical generation process that progressively refines global coherence into fine-scale details. We implement wrapped Gaussian transition kernels and periodicity-aware networks to account for the circular geometry. Our method achieves competitive results on general image benchmarks and significantly improves generation quality on orientation-dense datasets like fingerprints and textures. Ultimately, this work demonstrates the promise of biologically inspired synchronization dynamics as structured priors in generative modeling.

Data-centric AI · Data augmentation

Leitian Tao, Xuefeng Du, Sharon Li

Reward modeling, crucial for aligning large language models (LLMs) with human preferences, is often bottlenecked by the high cost of preference data. Existing textual data synthesis methods are computationally expensive. We propose a novel framework LENS for synthesizing preference data directly in the LLM's latent embedding space. Our method employs a Variational Autoencoder (VAE) to learn a structured latent representation of response embeddings. By performing controlled perturbations in this latent space and decoding back to the embedding space, we efficiently generate diverse, semantically consistent synthetic preference pairs, bypassing costly text generation and annotation. We provide theoretical guarantees that our synthesized pairs approximately preserve original preference ordering and improve reward model generalization. Empirically, our latent-space synthesis significantly outperforms text-based augmentation on standard benchmarks, achieving superior results while being 18× faster in generation and using a 16,000× smaller model. Our work offers a scalable and effective alternative for enhancing reward modeling through efficient data augmentation. Code is publicly available at https://github.com/deeplearning-wisc/lens.

Deep Learning · Generative Models and Autoencoders

Jon Saad-Falcon, Estefany Kelly Buchanan, Mayee Chen, Tzu-Heng (Brian) Huang, Brendan McLaughlin, Tanvir Bhathal, Shang Zhu, Ben Athiwaratkun, Frederic Sala, Scott Linderman 等

Verifiers can improve language model (LM) capabilities by providing feedback or selecting the best response from a pool of generated candidates. Currently, high-quality verifiers are either unscalable (e.g., humans) or limited in utility (e.g., tools like Lean for formal proofs). While LM judges and reward models have become broadly useful as general-purpose verifiers, a significant performance gap remains between them and oracle verifiers. To help close this gap, we introduce Weaver, a framework for designing a strong verifier by combining multiple weak, imperfect verifiers. First we find that weighted ensembles of verifiers, which typically require learning from labeled data, significantly outperform unweighted combinations due to differences in the verifiers. To reduce the dependency on labeled data, Weaver leverages weak supervision to estimate each verifier’s accuracy and combines their outputs into a unified score that better reflects true response quality. However, directly applying weak supervision algorithms poses several challenges, including inconsistent verifier output formats and handling low-quality verifiers. Weaver addresses these challenges by using dataset statistics to normalize outputs and filter specific verifiers. We study the effectiveness of Weaver in repeated sampling settings, where a model generates multiple candidate responses at test time and a verifier is used to select the correct one. Our evaluations demonstrate that Weaver significantly improves the pass@1 performance across several reasoning and math tasks, achieving o3-mini level accuracy with Llama 3.3 70B Instruct (a much cheaper non-reasoning model) as the generator, and an ensemble of smaller judge and reward models as the verifiers (86.2% average). This gain mirrors the jump achieved between GPT-4o and o3-mini (69.0% vs. 86.7%), which required extensive finetuning and post-training interventions. To make Weaver more efficient, we train a compact 400M cross-encoder using Weaver's combined output scores. This distilled model retains 98.7% of Weaver's full accuracy while reducing verification compute by up to 99.97%.

Deep Learning · Generative Models and Autoencoders

Marcel Kollovieh, Nils Fleischmann, Filippo Guerranti, Bertrand Charpentier, Stephan Günnemann

In this work, we introduce TreeGen, a novel generative framework modeling distributions over hierarchies. We extend Bayesian Flow Networks (BFNs) to enable transitions between probabilistic and discrete hierarchies parametrized via categorical distributions. Our proposed scheduler provides smooth and consistent entropy decay across varying numbers of categories. We empirically evaluate TreeGen on the jet-clustering task in high-energy physics, demonstrating that it consistently generates valid trees that adhere to physical constraints and closely align with ground-truth log-likelihoods. Finally, by comparing TreeGen’s samples to the exact posterior distribution and performing likelihood maximization via rejection sampling, we demonstrate that TreeGen outperforms various baselines.

Wei Wu, Yuxing Lu, Zhengrui Guo, Chi Zhang, Can Liao, Yifan Bu, Fangxu Zhou, Jinzhuo Wang

In computational neuroscience, models representing single-neuron in-vivo activity have become essential for understanding the functional identities of individual neurons. These models, such as implicit representation methods based on Transformer architectures, contrastive learning frameworks, and variational autoencoders, aim to capture the invariant and intrinsic computational features of single neurons. The learned single-neuron computational role representations should remain invariant across changing environment and are affected by their molecular expression and location. Thus, the representations allow for in vivo prediction of the molecular cell types and anatomical locations of single neurons, facilitating advanced closed-loop experimental designs. However, current models face the problem of limited generalizability. This is due to batch effects caused by differences in experimental design, animal subjects, and recording platforms. These confounding factors often lead to overfitting, reducing the robustness and practical utility of the models across various experimental scenarios. Previous studies have not rigorously evaluated how well the models generalize to new animals or stimulus conditions, creating a significant gap in the field. To solve this issue, we present a comprehensive experimental protocol that explicitly evaluates model performance on unseen animals and stimulus types. Additionally, we propose a model-agnostic adversarial training strategy. In this strategy, a discriminator network is used to eliminate batch-related information from the learned representations. The adversarial framework forces the representation model to focus on the intrinsic properties of neurons, thereby enhancing generalizability. Our approach is compatible with all major single-neuron representation models and significantly improves model robustness. This work emphasizes the importance of generalization in single-neuron representation models and offers an effective solution, paving the way for the practical application of computational models in vivo. It also shows potential for building unified atlases based on single-neuron in vivo activity.

Deep Learning · Generative Models and Autoencoders

Utkarsh Utkarsh, Pengfei Cai, Alan Edelman, Rafael Gomez-Bombarelli, Christopher Rackauckas

Deep generative models have recently been applied to physical systems governed by partial differential equations (PDEs), offering scalable simulation and uncertainty-aware inference. However, enforcing physical constraints, such as conservation laws (linear and nonlinear) and physical consistencies, remains challenging. Existing methods often rely on soft penalties or architectural biases that fail to guarantee hard constraints. In this work, we propose Physics-Constrained Flow Matching (PCFM), a zero-shot inference framework that enforces arbitrary nonlinear constraints in pretrained flow-based generative models. PCFM continuously guides the sampling process through physics-based corrections applied to intermediate solution states, while remaining aligned with the learned flow and satisfying physical constraints. Empirically, PCFM outperforms both unconstrained and constrained baselines on a range of PDEs, including those with shocks, discontinuities, and sharp features, while ensuring exact constraint satisfaction at the final solution. Our method provides a flexible framework for enforcing hard constraints in both scientific and general-purpose generative models, especially in applications where constraint satisfaction is essential.

Deep Learning · Generative Models and Autoencoders

Byeonghu Na, Minsang Park, Gyuwon Sim, Donghyeok Shin, HeeSun Bae, Mina Kang, Se Jung Kwon, Wanmo Kang, Il-chul Moon

Text-to-image diffusion models rely on text embeddings from a pre-trained text encoder, but these embeddings remain fixed across all diffusion timesteps, limiting their adaptability to the generative process. We propose Diffusion Adaptive Text Embedding (DATE), which dynamically updates text embeddings at each diffusion timestep based on intermediate perturbed data. We formulate an optimization problem and derive an update rule that refines the text embeddings at each sampling step to improve alignment and preference between the mean predicted image and the text. This allows DATE to dynamically adapts the text conditions to the reverse-diffused images throughout diffusion sampling without requiring additional model training. Through theoretical analysis and empirical results, we show that DATE maintains the generative capability of the model while providing superior text-image alignment over fixed text embeddings across various tasks, including multi-concept generation and text-guided image editing. Our code is available at https://github.com/aailab-kaist/DATE.

Deep Learning · Generative Models and Autoencoders

Zijian Feng, Hanzhang Zhou, Zixiao Zhu, Tianjiao Li, Chua Deryl, Lee Onn Mak, Gee Ng, Kezhi Mao

Pruning is a widely used technique to reduce the size and inference cost of large language models (LLMs), but it often causes performance degradation. To mitigate this, existing restoration methods typically employ parameter-efficient fine-tuning (PEFT), such as LoRA, to recover the pruned model's performance. However, most PEFT methods are designed for dense models and overlook the distinct properties of pruned models, often resulting in suboptimal recovery. In this work, we propose a targeted restoration strategy for pruned models that restores performance while preserving their low cost and high efficiency. We observe that pruning-induced information loss is reflected in attention activations, and selectively reintroducing components of this information can significantly recover model performance. Based on this insight, we introduce RestoreLCC (Restoring Pruned LLMs via Lost Component Compensation), a plug-and-play method that contrastively probes critical attention heads via activation editing, extracts lost components from activation differences, and finally injects them back into the corresponding pruned heads for compensation and recovery. RestoreLCC is compatible with structured, semi-structured, and unstructured pruning schemes. Extensive experiments demonstrate that RestoreLCC consistently outperforms state-of-the-art baselines in both general and task-specific performance recovery, without compromising the sparsity or inference efficiency of pruned models.

Optimization · Stochastic & Convex Optimization

Brian Moser, Federico Raue, Sebastian Palacio, Stanislav Frolov, Andreas Dengel

Dataset distillation seeks to condense datasets into smaller but highly representative synthetic samples. While diffusion models now lead all generative benchmarks, current distillation methods avoid them and rely instead on GANs or autoencoders, or, at best, sampling from a fixed diffusion prior. This trend arises because naive backpropagation through the long denoising chain leads to vanishing gradients, which prevents effective synthetic sample optimization. To address this limitation, we introduce Latent Dataset Distillation with Diffusion Models (LD3M), the first method to learn gradient-based distilled latents and class embeddings end-to-end through a pre-trained latent diffusion model. A linearly decaying skip connection, injected from the initial noisy state into every reverse step, preserves the gradient signal across dozens of timesteps without requiring diffusion weight fine-tuning. Across multiple ImageNet subsets at $128\times128$ and $256\times256$, LD3M improves downstream accuracy by up to 4.8 percentage points (1 IPC) and 4.2 points (10 IPC) over the prior state-of-the-art. The code for LD3M is provided at https://github.com/Brian-Moser/prune_and_distill.

Deep Learning · Generative Models and Autoencoders

Lin Wu, Zhixiang Chen, Jianglin Lan

Generating realistic 3D human-object interactions (HOIs) remains a challenging task due to the difficulty of modeling detailed interaction dynamics. Existing methods treat human and object motions independently, resulting in physically implausible and causally inconsistent behaviors. In this work, we present HOI-Dyn, a novel framework that formulates HOI generation as a driver-responder system, where human actions drive object responses. At the core of our method is a lightweight transformer-based interaction dynamics model that explicitly predicts how objects should react to human motion. To further enforce consistency, we introduce a residual-based dynamics loss that mitigates the impact of dynamics prediction errors and prevents misleading optimization signals. The dynamics model is used only during training, preserving inference efficiency. Through extensive qualitative and quantitative experiments, we demonstrate that our approach not only enhances the quality of HOI generation but also establishes a feasible metric for evaluating the quality of generated interactions. Project website: https://wulin97.github.io/hoi-dyn

Deep Learning · Generative Models and Autoencoders

Matteo Ninniri, Marco Podda, Davide Bacciu

Generative models of graphs based on discrete Denoising Diffusion Probabilistic Models (DDPMs) offer a principled approach to molecular generation by systematically removing structural noise through iterative atom and bond adjustments. However, existing formulations are fundamentally limited by their inability to adapt the graph size (that is, the number of atoms) during the diffusion process, severely restricting their effectiveness in conditional generation scenarios such as property-driven molecular design, where the targeted property often correlates with the molecular size. In this paper, we reformulate the noising and denoising processes to support monotonic insertion and deletion of nodes. The resulting model, which we call GrIDDD, dynamically grows or shrinks the chemical graph during generation. GrIDDD matches or exceeds the performance of existing graph diffusion models on molecular property targeting despite being trained on a more difficult problem. Furthermore, when applied to molecular optimization, GrIDDD exhibits competitive performance compared to specialized optimization models. This work paves the way for size-adaptive molecular generation with graph diffusion.

Deep Learning · Generative Models and Autoencoders

Xiang Li, Rongrong Wang, Qing Qu

Classifier-free guidance (CFG) is a core technique powering state-of-the-art image generation systems, yet its underlying mechanisms remain poorly understood. In this work, we first analyze CFG in a simplified linear diffusion model, where we show its behavior closely resembles that observed in the nonlinear case. Our analysis reveals that linear CFG improves generation quality via three distinct components: (i) a mean-shift term that approximately steers samples in the direction of class means, (ii) a positive Contrastive Principal Components (CPC) term that amplifies class-specific features, and (iii) a negative CPC term that suppresses generic features prevalent in unconditional data. We then verify that these insights in real-world, nonlinear diffusion models: over a broad range of noise levels, linear CFG resembles the behavior of its nonlinear counterpart. Although the two eventually diverge at low noise levels, we discuss how the insights from the linear analysis still shed light on the CFG's mechanism within the nonlinear regime.

Deep Learning · Generative Models and Autoencoders

Taha Entesari, Arman Hatami, Rinat Khaziev, Anil Ramakrishna, Mahyar Fazlyab

Large Language Models (LLMs) deployed in real-world settings increasingly face the need to unlearn sensitive, outdated, or proprietary information. Existing unlearning methods typically formulate forgetting and retention as a regularized trade-off, combining both objectives into a single scalarized loss. This often leads to unstable optimization and degraded performance on retained data, especially under aggressive forgetting. We propose a new formulation of LLM unlearning as a constrained optimization problem: forgetting is enforced via a novel logit-margin flattening loss that explicitly drives the output distribution toward uniformity on a designated forget set, while retention is preserved through a hard constraint on a separate retain set. Compared to entropy-based objectives, our loss is softmax-free, numerically stable, and maintains non-vanishing gradients, enabling more efficient and robust optimization. We solve the constrained problem using a scalable primal-dual algorithm that exposes the trade-off between forgetting and retention through the dynamics of the dual variable, all without any extra computational overhead. Evaluations on the TOFU and MUSE benchmarks across diverse LLM architectures demonstrate that our approach consistently matches or exceeds state-of-the-art baselines, effectively removing targeted information while preserving downstream utility.

Deep Learning · Generative Models and Autoencoders

Mohamed Amine Ketata, David Lüdke, Leo Schwinn, Stephan Günnemann

Building generative models for relational databases (RDBs) is important for many applications, such as privacy-preserving data release and augmenting real datasets. However, most prior works either focus on single-table generation or adapt single-table models to the multi-table setting by relying on autoregressive factorizations and sequential generation. These approaches limit parallelism, restrict flexibility in downstream applications, and compound errors due to commonly made conditional independence assumptions. In this paper, we propose a fundamentally different approach: jointly modeling all tables in an RDB without imposing any table order. By using a natural graph representation of RDBs, we propose the Graph-Conditional Relational Diffusion Model (GRDM), which leverages a graph neural network to jointly denoise row attributes and capture complex inter-table dependencies. Extensive experiments on six real-world RDBs demonstrate that our approach substantially outperforms autoregressive baselines in modeling multi-hop inter-table correlations and achieves state-of-the-art performance on single-table fidelity metrics. Our code is available at https://github.com/ketatam/rdb-diffusion.

Deep Learning · Generative Models and Autoencoders

Mateo Clémente, Leo Brunswic, Yang, Xuan Zhao, Yasser Khalil, Haoyu Lei, Amir Rasouli, Yinchuan Li

Diffusion models, such as diffusion policy, have achieved state-of-the-art results in robotic manipulation by imitating expert demonstrations. While diffusion models were originally developed for vision tasks like image and video generation, many of their inference strategies have been directly transferred to control domains without adaptation. In this work, we show that by tailoring the denoising process to the specific characteristics of embodied AI tasks—particularly the structured, low-dimensional nature of action distributions---diffusion policies can operate effectively with as few as 5 neural function evaluations (NFE). Building on this insight, we propose a population-based sampling strategy, genetic denoising, which enhances both performance and stability by selecting denoising trajectories with low out-of-distribution risk. Our method solves challenging tasks with only 2 NFE while improving or matching performance. We evaluate our approach across 14 robotic manipulation tasks from D4RL and Robomimic, spanning multiple action horizons and inference budgets. In over 2 million evaluations, our method consistently outperforms standard diffusion-based policies, achieving up to 20\% performance gains with significantly fewer inference steps.

Deep Learning · Generative Models and Autoencoders

Weiqing He, Xiang Li, Tianqi Shang, Li Shen, Weijie Su, Qi Long

Large language models (LLMs) raise concerns about content authenticity and integrity because they can generate human-like text at scale. Text watermarks, which embed detectable statistical signals into generated text, offer a provable way to verify content origin. Many detection methods rely on pivotal statistics that are i.i.d. under human-written text, making goodness-of-fit (GoF) tests a natural tool for watermark detection. However, GoF tests remain largely underexplored in this setting. In this paper, we systematically evaluate eight GoF tests across three popular watermarking schemes, using three open-source LLMs, two datasets, various generation temperatures, and multiple post-editing methods. We find that general GoF tests can improve both the detection power and robustness of watermark detectors. Notably, we observe that text repetition, common in low-temperature settings, gives GoF tests a unique advantage not exploited by existing methods. Our results highlight that classic GoF tests are a simple yet powerful and underused tool for watermark detection in LLMs.

Deep Learning · Generative Models and Autoencoders

Jonas Geiping, Sean McLeish, Neel Jain, John Kirchenbauer, Siddharth Singh, Brian Bartoldson, Bhavya Kailkhura, Abhinav Bhatele, Tom Goldstein

We study a novel language model architecture that is capable of scaling test-time computation by implicitly reasoning in latent space. Our model works by iterating a recurrent block, thereby unrolling to arbitrary depth at test-time. This stands in contrast to mainstream reasoning models that scale up compute by producing more tokens. Unlike approaches based on chain-of-thought, our approach does not require any specialized training data, can work with small context windows, and can capture types of reasoning that are not easily represented in words. We train a proof-of-concept model from scratch with 3.5 billion parameters and 800 billion tokens. We show that this model can effortlessly use varying levels of compute, significantly improving with additional compute especially on reasoning tasks, such as math and coding. Further, this architecture naturally reduces compute costs via zero-shot per-token adaptive compute, KV-cache sharing and speculative decoding.

Deep Learning · Generative Models and Autoencoders

Adam Stein, Neelay Velingker, Mayur Naik, Eric Wong

Large language models (LLMs) excel at zero-shot inference but continue to struggle with complex, multi-step reasoning. Recent methods that augment LLMs with intermediate reasoning steps such as Chain of Thought (CoT) and Program of Thought (PoT) improve performance but often produce undesirable solutions, especially in algorithmic domains. We introduce Per-Instance Program Synthesis (PIPS), a method that generates and refines programs at the instance level using structural feedback without relying on task-specific guidance or explicit test cases. To further improve performance, PIPS incorporates a confidence metric that dynamically chooses between direct inference and program synthesis on a per-instance basis. Experiments across three frontier LLMs and 30 benchmarks including all tasks of Big Bench Extra Hard (BBEH), visual question answering tasks, relational reasoning tasks, and mathematical reasoning tasks show that PIPS improves the absolute harmonic mean accuracy by up to 8.6\% and 9.4\% compared to PoT and CoT respectively, and reduces undesirable program generations by 65.1\% on the algorithmic tasks compared to PoT with Gemini-2.0-Flash.

Deep Learning · Generative Models and Autoencoders

Yuanpei Gao, Qi Yan, Yan Leng, Renjie Liao

While deep learning methods have achieved strong performance in time series prediction, their black-box nature and inability to explicitly model underlying stochastic processes often limit their robustness handling non-stationary data, especially in the presence of abrupt changes. In this work, we introduce Neural MJD, a neural network based non-stationary Merton jump diffusion (MJD) model. Our model explicitly formulates forecasting as a stochastic differential equation (SDE) simulation problem, combining a time-inhomogeneous Itô diffusion to capture non-stationary stochastic dynamics with a time-inhomogeneous compound Poisson process to model abrupt jumps. To enable tractable learning, we introduce a likelihood truncation mechanism that caps the number of jumps within small time intervals and provide a theoretical error bound for this approximation. Additionally, we propose an Euler-Maruyama with restart solver, which achieves a provably lower error bound in estimating expected states and reduced variance compared to the standard solver. Experiments on both synthetic and real-world datasets demonstrate that Neural MJD consistently outperforms state-of-the-art deep learning and statistical learning methods. Our code is available at https://github.com/DSL-Lab/neural-MJD.

General Machine Learning · Everything Else

Bohang Sun, Yuena Lin, Tao Yang, Zhen Zhu, Zhen Yang, Gengyu Lyu

The Unaligned Multi-view Clustering (UMC) aims to learn a discriminative cluster structure from unaligned multi-view data, where the features of samples are not completely aligned across multiple views. Most existing methods usually prioritize employing various alignment strategies to align sample representations across views and then conduct cross-view fusion on aligned representations for subsequent clustering. However, ***due to the heterogeneity of representations across different views, these alignment strategies often fail to achieve ideal view-alignment results, inevitably leading to unreliable alignment-based fusion.*** To address this issue, we propose an alignment-free consistency fusion framework named AF-UMC, which bypasses the traditional view-alignment operation and directly extracts consistent representations from each view to perform global cross-view consistency fusion. Specifically, we first construct a cross-view consistent basis space by a cross-view reconstruction loss and a designed Structural Clarity Regularization (SCR), where autoencoders extract consistent representations from each view through projecting view-specific data to the constructed basis space. Afterwards, these extracted representations are globally pulled together for further cross-view fusion according to a designed Instance Global Contrastive Fusion (IGCF). Compared with previous methods, AF-UMC directly extracts consistent representations from each view for global fusion instead of alignment for fusion, which significantly mitigates the degraded fusion performance caused by undesired view-alignment results while greatly reducing algorithm complexity and enhancing its efficiency. Extensive experiments on various datasets demonstrate that our AF-UMC exhibits superior performance against other state-of-the-art methods.