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Social Aspects · Accountability, Transparency, and Interpretability

Subhash Kantamneni, Josh Engels, Senthooran Rajamanoharan, Max Tegmark, Neel Nanda

Sparse autoencoders (SAEs) are a popular method for interpreting concepts represented in large language model (LLM) activations. However, there is a lack of evidence regarding the validity of their interpretations due to the lack of a ground truth for the concepts used by an LLM, and a growing number of works have presented problems with current SAEs. One alternative source of evidence would be demonstrating that SAEs improve performance on downstream tasks beyond existing baselines. We test this by applying SAEs to the real-world task of LLM activation probing in four regimes: data scarcity, class imbalance, label noise, and covariate shift. Due to the difficulty of detecting concepts in these challenging settings, we hypothesize that SAEs’ basis of interpretable, concept-level latents should provide a useful inductive bias. However, although SAEs occasionally perform better than baselines on individual datasets, we are unable to design ensemble methods combining SAEs with baselines that consistently outperform ensemble methods solely using baselines. Additionally, although SAEs initially appear promising for identifying spurious correlations, detecting poor dataset quality, and training multi-token probes, we are able to achieve similar results with simple non-SAE baselines as well. Though we cannot discount SAEs’ utility on other tasks, our findings highlight the shortcomings of current SAEs and the need to rigorously evaluate interpretability methods on downstream tasks with strong baselines.

Deep Learning · Generative Models and Autoencoders

Dimitri von Rütte, Janis Fluri, Yuhui Ding, Antonio Orvieto, Bernhard Schölkopf, Thomas Hofmann

While state-of-the-art language models achieve impressive results through next-token prediction, they have inherent limitations such as the inability to revise already generated tokens. This has prompted exploration of alternative approaches such as discrete diffusion. However, masked diffusion, which has emerged as a popular choice due to its simplicity and effectiveness, reintroduces this inability to revise words. To overcome this, we generalize masked diffusion, deriving a new family of general interpolating discrete diffusion (GIDD) which offers greater flexibility in the design of the noising processes. Leveraging a novel diffusion ELBO, we achieve compute-matched state-of-the-art performance in diffusion language modeling. Exploiting GIDD's flexibility, we explore a hybrid approach combining masking and uniform noise, leading to improved sample quality and unlocking the ability for the model to correct its own mistakes, an area where autoregressive models notoriously have struggled.Code: https://github.com/dvruette/gidd/

Deep Learning · Graph Neural Networks

Nikolaos Chaidos, Angeliki Dimitriou, Maria Lymperaiou, Giorgos Stamou

Despite the dominance of convolutional and transformer-based architectures in image-to-image retrieval, these models are prone to biases arising from low-level visual features, such as color. Recognizing the lack of semantic understanding as a key limitation, we propose a novel scene graph-based retrieval framework that emphasizes semantic content over superficial image characteristics. Prior approaches to scene graph retrieval predominantly rely on supervised Graph Neural Networks (GNNs), which require ground truth graph pairs driven from image captions. However, the inconsistency of caption-based supervision stemming from variable text encodings undermine retrieval reliability.To address these, we present *SCENIR*, a Graph Autoencoder-based unsupervised retrieval framework, which eliminates the dependence on labeled training data. Our model demonstrates superior performance across metrics and runtime efficiency, outperforming existing vision-based, multimodal, and supervised GNN approaches.We further advocate for *Graph Edit Distance* (GED) as a deterministic and robust ground truth measure for scene graph similarity, replacing the inconsistent caption-based alternatives for the first time in image-to-image retrieval evaluation. Finally, we validate the generalizability of our method by applying it to unannotated datasets via automated scene graph generation, while substantially contributing in advancing state-of-the-art in counterfactual image retrieval.The source code is available at https://github.com/nickhaidos/scenir-icml2025.

Deep Learning · Graph Neural Networks

Daniel Zilberg, Ron Levie

We propose PieClam (Prior Inclusive Exclusive Cluster Affiliation Model): a graph autoencoder, where nodes are embedded into a code space by an algorithm that maximizes the log-likelihood of the decoded graph. PieClam is a community affiliation model that extends well-known methods like BigClam in two main manners. First, instead of the decoder being defined via pairwise interactions between the nodes in the code space, we also incorporate a learned prior on the distribution of nodes in the code space, turning our method into a graph generative model. Secondly, we generalize the notion of communities by allowing not only sets of nodes with strong connectivity, which we call inclusive communities, but also sets of nodes with strong disconnection, which we call exclusive communities. By introducing a new graph similarity measure, called the log cut distance, we show that PieClam is a universal autoencoder, able to uniformly approximately reconstruct any graph. Our method is shown to obtain competitive performance in graph anomaly detection and link prediction benchmarks.

General Machine Learning · Unsupervised and Semi-supervised Learning

Aditya Gorla, Ryan Wang, Zhengtong Liu, Ulzee An, Sriram Sankararaman

We present CACTI, a masked autoencoding approach for imputing tabular data that leverages the structure in missingness patterns and contextual information. Our approach employs a novel median truncated copy masking training strategy that encourages the model to learn from empirical patterns of missingness while incorporating semantic relationships between features — captured by column names and text descriptions — to better represent feature dependence. These dual sources of inductive bias enable CACTIto outperform state-of-the-art methods — an average $R^2$ gain of 7.8\% over the next best method (13.4%, 6.1%, and 5.3% under missing not at random, at random and completely at random, respectively) — across a diverse range of datasets and missingness conditions. Our results highlight the value of leveraging dataset-specific contextual information and missingness patterns to enhance imputation performance.

Deep Learning · Generative Models and Autoencoders

Jonggeon Park, Giung Nam, Hyunsu Kim, Jongmin Yoon, Juho Lee

Neural network ensembles have proven effective in improving performance across a range of tasks; however, their high computational cost limits their applicability in resource-constrained environments or for large models. Ensemble distillation, the process of transferring knowledge from an ensemble teacher to a smaller student model, offers a promising solution to this challenge. The key is to ensure that the student model is both cost-efficient and achieves performance comparable to the ensemble teacher. With this in mind, we propose a novel ensemble distribution distillation method, which leverages flow matching to effectively transfer the diversity from the ensemble teacher to the student model. Our extensive experiments demonstrate the effectiveness of our proposed method compared to existing ensemble distillation approaches.

Deep Learning · Generative Models and Autoencoders

Yin Lu, Xuening Zhu, Tong He, David Wipf

Is there really much more to say about sparse autoencoders (SAEs)? Autoencoders in general, and SAEs in particular, represent deep architectures that are capable of modeling low-dimensional latent structure in data. Such structure could reflect, among other things, correlation patterns in large language model activations, or complex natural image manifolds. And yet despite the wide-ranging applicability, there have been relatively few changes to SAEs beyond the original recipe from decades ago, namely, standard deep encoder/decoder layers trained with a classical/deterministic sparse regularizer applied within the latent space. One possible exception is the variational autoencoder (VAE), which adopts a stochastic encoder module capable of producing sparse representations when applied to manifold data. In this work we formalize underappreciated weaknesses with both canonical SAEs, as well as analogous VAEs applied to similar tasks, and propose a hybrid alternative model that circumvents these prior limitations. In terms of theoretical support, we prove that global minima of our proposed model recover certain forms of structured data spread across a union of manifolds. Meanwhile, empirical evaluations on synthetic and real-world datasets substantiate the efficacy of our approach in accurately estimating underlying manifold dimensions and producing sparser latent representations without compromising reconstruction error. In general, we are able to exceed the performance of equivalent-capacity SAEs and VAEs, as well as recent diffusion models where applicable, within domains such as images and language model activation patterns.

Deep Learning · Generative Models and Autoencoders

Longlin Yu, Jiajun Zha, Tong Yang, Tianyu Xie, Xiangyu Zhang, Gary Chan, Cheng Zhang

Semi-implicit distributions have shown great promise in variational inference and generative modeling. Hierarchical semi-implicit models, which stack multiple semi-implicit layers, enhance the expressiveness of semi-implicit distributions and can be used to accelerate diffusion models given pretrained score networks. However, their sequential training often suffers from slow convergence. In this paper, we introduce CoSIM, a continuous semi-implicit model that extends hierarchical semi-implicit models into a continuous framework. By incorporating a continuous transition kernel, CoSIM enables efficient, simulation-free training. Furthermore, we show that CoSIM achieves consistency with a carefully designed transition kernel, offering a novel approach for multistep distillation of generative models at the distributional level. Extensive experiments on image generation demonstrate that CoSIM performs on par or better than existing diffusion model acceleration methods, achieving superior performance on FD-DINOv2.

Deep Learning · Generative Models and Autoencoders

Guangyi Wang, Wei Peng, lijiang Li, Wenyu Chen, Yuren Cai, Song-Zhi Su

While powerful for generation, Diffusion Probabilistic Models (DPMs) face slow sampling challenges, for which various distillation-based methods have been proposed. However, they typically require significant additional training costs and model parameter storage, limiting their practicality. In this work, we propose **P**CA-based **A**daptive **S**earch (PAS), which optimizes existing solvers for DPMs with minimal additional costs. Specifically, we first employ PCA to obtain a few basis vectors to span the high-dimensional sampling space, which enables us to learn just a set of coordinates to correct the sampling direction; furthermore, based on the observation that the cumulative truncation error exhibits an ``S"-shape, we design an adaptive search strategy that further enhances the sampling efficiency and reduces the number of stored parameters to approximately 10. Extensive experiments demonstrate that PAS can significantly enhance existing fast solvers in a plug-and-play manner with negligible costs. E.g., on CIFAR10, PAS optimizes DDIM's FID from 15.69 to 4.37 (NFE=10) using only **12 parameters and sub-minute training** on a single A100 GPU. Code is available at https://github.com/onefly123/PAS.

Deep Learning · Generative Models and Autoencoders

Yiming Qin, Manuel Madeira, Dorina Thanou, Pascal Frossard

Graph generative models are essential across diverse scientific domains by capturing complex distributions over relational data. Among them, graph diffusion models achieve superior performance but face inefficient sampling and limited flexibility due to the tight coupling between training and sampling stages. We introduce DeFoG, a novel graph generative framework that disentangles sampling from training, enabling a broader design space for more effective and efficient model optimization. DeFoG employs a discrete flow-matching formulation that respects the inherent symmetries of graphs. We theoretically ground this disentangled formulation by explicitly relating the training loss to the sampling algorithm and showing that DeFoG faithfully replicates the ground truth graph distribution. Building on these foundations, we thoroughly investigate DeFoG's design space and propose novel sampling methods that significantly enhance performance and reduce the required number of refinement steps. Extensive experiments demonstrate state-of-the-art performance across synthetic, molecular, and digital pathology datasets, covering both unconditional and conditional generation settings. It also outperforms most diffusion-based models with just 5–10\% of their sampling steps.

Deep Learning · Generative Models and Autoencoders

Mingyu Kang, Yong Suk Choi

Text-to-image diffusion models have achieved remarkable success in generating high-quality and diverse images. Building on these advancements, diffusion models have also demonstrated exceptional performance in text-guided image editing. A key strategy for effective image editing involves inverting the source image into editable noise maps associated with the target image. However, previous inversion methods face challenges in adhering closely to the target text prompt. The limitation arises because inverted noise maps, while enabling faithful reconstruction of the source image, restrict the flexibility needed for desired edits. To overcome this issue, we propose Editable Noise Map Inversion (ENM Inversion), a novel inversion technique that searches for optimal noise maps to ensure both content preservation and editability. We analyze the properties of noise maps for enhanced editability. Based on this analysis, our method introduces an editable noise refinement that aligns with the desired edits by minimizing the difference between the reconstructed and edited noise maps. Extensive experiments demonstrate that ENM Inversion outperforms existing approaches across a wide range of image editing tasks in both preservation and edit fidelity with target prompts. Our approach can also be easily applied to video editing, enabling temporal consistency and content manipulation across frames.

Reinforcement Learning · Online

Max Wilcoxson, Qiyang Li, Kevin Frans, Sergey Levine

Unsupervised pretraining has been transformative in many supervised domains. However, applying such ideas to reinforcement learning (RL) presents a unique challenge in that fine-tuning does not involve mimicking task-specific data, but rather exploring and locating the solution through iterative self-improvement. In this work, we study how unlabeled offline trajectory data can be leveraged to learn efficient exploration strategies. While prior data can be used to pretrain a set of low-level skills, or as additional off-policy data for online RL, it has been unclear how to combine these ideas effectively for online exploration. Our method SUPE (Skills from Unlabeled Prior data for Exploration) demonstrates that a careful combination of these ideas compounds their benefits. Our method first extracts low-level skills using a variational autoencoder (VAE), and then pseudo-labels unlabeled trajectories with optimistic rewards and high-level action labels, transforming prior data into high-level, task-relevant examples that encourage novelty-seeking behavior. Finally, SUPE uses these transformed examples as additional off-policy data for online RL to learn a high-level policy that composes pretrained low-level skills to explore efficiently. In our experiments, SUPE consistently outperforms prior strategies across a suite of 42 long-horizon, sparse-reward tasks.

Deep Learning · Generative Models and Autoencoders

Deqian Kong, Minglu Zhao, Dehong Xu, Bo Pang, Shu Wang, Edouardo Honig, Zhangzhang Si, Chuan Li, Jianwen Xie, Sirui Xie 等

We propose a novel class of language models, Latent Thought Models (LTMs), which incorporate explicit latent thought vectors that follow an explicit prior model in latent space. These latent thought vectors guide the autoregressive generation of ground tokens through a Transformer decoder. Training employs a dual-rate optimization process within the classical variational Bayes framework: fast learning of local variational parameters for the posterior distribution of latent vectors (inference-time computation), and slow learning of global decoder parameters. Empirical studies reveal that LTMs possess additional scaling dimensions beyond traditional Large Language Models (LLMs), such as the number of iterations in inference-time computation and number of latent thought vectors. Higher sample efficiency can be achieved by increasing training compute per token, with further gains possible by trading model size for more inference steps. Designed based on these scaling properties, LTMs demonstrate superior sample and parameter efficiency compared to autoregressive models and discrete diffusion models. They significantly outperform these counterparts in validation perplexity and zero-shot language modeling tasks. Additionally, LTMs exhibit emergent few-shot in-context reasoning capabilities that scale with model size, and achieve competitive performance in conditional and unconditional text generation. The project page is available at [https://deqiankong.github.io/blogs/ltm](https://deqiankong.github.io/blogs/ltm).

Deep Learning · Generative Models and Autoencoders

Kelsey Allen, Carl Doersch, Guangyao Zhou, Mohammed Suhail, Danny Driess, Ignacio Rocco, Yulia Rubanova, Thomas Kipf, Mehdi S. M. Sajjadi, Kevin Murphy 等

A current limitation of video generative video models is that they generate plausible looking frames, but poor motion --- an issue that is not well captured by FVD and other popular methods for evaluating generated videos. Here we go beyond FVD by developing a metric which better measures plausible object interactions and motion. Our novel approach is based on auto-encoding point tracks and yields motion features that can be used to not only compare distributions of videos (as few as one generated and one ground truth, or as many as two datasets), but also for evaluating motion of single videos. We show that using point tracks instead of pixel reconstruction or action recognition features results in a metric which is markedly more sensitive to temporal distortions in synthetic data, and can predict human evaluations of temporal consistency and realism in generated videos obtained from open-source models better than a wide range of alternatives. We also show that by using a point track representation, we can spatiotemporally localize generative video inconsistencies, providing extra interpretability of generated video errors relative to prior work. An overview of the results and link to the code can be found on the project page: trajan-paper.github.io.

Deep Learning · Generative Models and Autoencoders

Xuesong Wang, He Zhao, Edwin V. Bonilla

Neural Processes (NPs) are deep probabilistic models that represent stochastic processes by conditioning their prior distributions on a set of context points. Despite their advantages in uncertainty estimation for complex distributions, NPs enforce parameterization coupling between the conditional prior model and the posterior model. We show that this coupling amounts to prior misspecification and revisit the NP objective to address this issue. More specifically, we propose Rényi Neural Processes (RNP), a method that replaces the standard KL divergence with the Rényi divergence, dampening the effects of the misspecified prior during posterior updates. We validate our approach across multiple benchmarks including regression and image inpainting tasks, and show significant performance improvements of RNPs in real-world problems. Our extensive experiments show consistently better log-likelihoods over state-of-the-art NP models.

Deep Learning · Generative Models and Autoencoders

Tejas Jayashankar, Jongha (Jon) Ryu, Gregory Wornell

We propose *Score-of-Mixture Training* (SMT), a novel framework for training one-step generative models by minimizing a class of divergences called the$\alpha$-skew Jensen–Shannon divergence. At its core, SMT estimates the score of mixture distributions between real and fake samples across multiple noise levels.Similar to consistency models, our approach supports both training from scratch (SMT) and distillation using a pretrained diffusion model, which we call *Score-of-Mixture Distillation* (SMD).It is simple to implement, requires minimal hyperparameter tuning, and ensures stable training. Experiments on CIFAR-10 and ImageNet 64×64 show that SMT/SMD are competitive with and can even outperform existing methods.

Social Aspects · Accountability, Transparency, and Interpretability

Aaron Mueller, Atticus Geiger, Sarah Wiegreffe, Dana Arad, Iván Arcuschin, Adam Belfki, Yik Siu Chan, Jaden Fiotto-Kaufman, Tal Haklay, Michael Hanna 等

How can we know whether new mechanistic interpretability methods achieve real improvements?In pursuit of lasting evaluation standards, we propose MIB, a Mechanistic Interpretability Benchmark, with two tracks spanning four tasks and five models. MIB favors methods that precisely and concisely recover relevant causal pathways or causal variables in neural language models. The circuit localization track compares methods that locate the model components---and connections between them---most important for performing a task (e.g., attribution patching or information flow routes). The causal variable track compares methods that featurize a hidden vector, e.g., sparse autoencoders (SAE) or distributed alignment search (DAS), and align those features to a task-relevant causal variable. Using MIB, we find that attribution and mask optimization methods perform best on circuit localization. For causal variable localization, we find that the supervised DAS method performs best, while SAEs features are not better than neurons, i.e., non-featurized hidden vectors. These findings illustrate that MIB enables meaningful comparisons, and increases our confidence that there has been real progress in the field.

Deep Learning · Generative Models and Autoencoders

Xiaohui Chen, Yinkai Wang, JIAXING HE, Yuanqi Du, Soha Hassoun, Xiaolin Xu, Liping Liu

Graph generation is a critical task in numerous domains, including molecular design and social network analysis, due to its ability to model complex relationships and structured data. While most modern graph generative models utilize adjacency matrix representations, this work revisits an alternative approach that represents graphs as sequences of node set and edge set. We advocate for this approach due to its efficient encoding of graphs and propose a novel representation. Based on this representation, we introduce the Graph Generative Pre-trained Transformer (G2PT), an auto-regressive model that learns graph structures via next-token prediction. To further exploit G2PT's capabilities as a general-purpose foundation model, we explore fine-tuning strategies for two downstream applications: goal-oriented generation and graph property prediction. We conduct extensive experiments across multiple datasets. Results indicate that G2PT achieves superior generative performance on both generic graph and molecule datasets. Furthermore, G2PT exhibits strong adaptability and versatility in downstream tasks from molecular design to property prediction.

Deep Learning · Generative Models and Autoencoders

Shanchuan Lin, Xin Xia, Yuxi Ren, Ceyuan Yang, Xuefeng Xiao, Lu Jiang

The diffusion models are widely used for image and video generation, but their iterative generation process is slow and expansive. While existing distillation approaches have demonstrated the potential for one-step generation in the image domain, they still suffer from significant quality degradation. In this work, we propose Adversarial Post-Training (APT) against real data following diffusion pre-training for one-step video generation. To improve the training stability and quality, we introduce several improvements to the model architecture and training procedures, along with an approximated R1 regularization objective. Empirically, our experiments show that our adversarial post-trained model can generate two-second, 1280x720, 24fps videos in real-time using a single forward evaluation step. Additionally, our model is capable of generating 1024px images in a single step, achieving quality comparable to state-of-the-art methods.

Deep Learning · Generative Models and Autoencoders

Eric Frankel, Sitan Chen, Jerry Li, Pang Wei Koh, Lillian Ratliff, Sewoong Oh

Diffusion models (DMs) create samples from a data distribution by starting from random noise and iteratively solving a reverse-time ordinary differential equation (ODE).Because each step in the iterative solution requires an expensive neural function evaluation (NFE), there has been significant interest in approximately solving these diffusion ODEs with only a few NFEs without modifying the underlying model.However, in the few NFE regime, we observe that tracking the true ODE evolution is fundamentally impossible using traditional ODE solvers.In this work, we propose a new method that learns a good solver for the DM, which we call **S**olving **for** the **S**olver (**S4S**).S4S directly optimizes a solver to obtain good generation quality by learning to match the output of a strong teacher solver.We evaluate S4S on six different pre-trained DMs, including pixel-space and latent-space DMs for both conditional and unconditional sampling.In all settings, S4S uniformly improves the sample quality relative to traditional ODE solvers. Moreover, our method is lightweight, data-free, and can be plugged in black-box on top of any discretization schedule or architecture to improve performance.Building on top of this, we also propose **S4S-Alt**, which optimizes both the solver and the discretization schedule.By exploiting the full design space of DM solvers, with 5 NFEs, we achieve an FID of 3.73 on CIFAR10 and 13.26 on MS-COCO, representing a $1.5\times$ improvement over previous training-free ODE methods.