Gresa Shala, Thomas Elsken, Frank Hutter, Josif Grabocka

While neural architecture search (NAS) is an intensely-researched area, approaches typically still suffer from either (i) high computational costs or (ii) lack of robustness across datasets and experiments. Furthermore, most methods start searching for an optimal architecture from scratch, ignoring prior knowledge. This is in contrast to the manual design process by researchers and engineers that leverage previous deep learning experiences by, e.g., transferring architectures from previously solved, related problems. We propose to adopt this human design strategy and introduce a novel surrogate for NAS, that is meta-learned across prior architecture evaluations across different datasets. We utilizes Bayesian Optimization (BO) with deep-kernel Gaussian Processes, graph neural networks for the architecture embeddings and a transformer-based set encoder of datasets. As a result, our method consistently achieves state-of-the-art results on six computer vision datasets, while being as fast as one-shot NAS methods.

Anji Liu, Honghua Zhang, Guy Van den Broeck

Probabilistic Circuits (PCs) are a unified framework for tractable probabilistic models that support efficient computation of various probabilistic queries (e.g., marginal probabilities). One key challenge is to scale PCs to model large and high-dimensional real-world datasets: we observe that as the number of parameters in PCs increases, their performance immediately plateaus. This phenomenon suggests that the existing optimizers fail to exploit the full expressive power of large PCs. We propose to overcome such bottleneck by latent variable distillation: we leverage the less tractable but more expressive deep generative models to provide extra supervision over the latent variables of PCs. Specifically, we extract information from Transformer-based generative models to assign values to latent variables of PCs, providing guidance to PC optimizers. Experiments on both image and language modeling benchmarks (e.g., ImageNet and WikiText-2) show that latent variable distillation substantially boosts the performance of large PCs compared to their counterparts without latent variable distillation. In particular, on the image modeling benchmarks, PCs achieve competitive performance against some of the widely-used deep generative models, including variational autoencoders and flow-based models, opening up new avenues for tractable generative modeling. Our code can be found at https://github.com/UCLA-StarAI/LVD.

Parth Sheth, Pengtao Xie

Differentiable neural architecture search methods are increasingly popular due to their computational efficiency. However, these methods have unsatisfactory generalizability and stability. Their searched architectures are often degenerate with a dominant number of skip connections and perform unsatisfactorily on test data. Existing methods for solving this problem have a variety of limitations, such as cannot prevent the happening of architecture degeneration, being excessively restrictive in setting the number of skip connections, etc. To address these limitations, we propose a new approach for improving the generalizability and stability of differentiable NAS, by developing a transferability-encouraging tri-level optimization framework which improves the architecture of a main model by encouraging good transferability to an auxiliary model. Our framework involves three stages performed end-to-end: 1) train network weights of a main model; 2) transfer knowledge from the main model to an auxiliary model; 3) optimize the architecture of the main model by maximizing its transferability to the auxiliary model. We propose a new knowledge transfer approach based on matching quadruple relative similarities. Experiments on several datasets demonstrate the effectiveness of our method.

Ashkan Soleymani, Behrooz Tahmasebi, Stefanie Jegelka, Patrick Jaillet

We study the statistical-computational trade-offs for learning with exact invariances (or symmetries) using kernel regression. Traditional methods, such as data augmentation, group averaging, canonicalization, and frame-averaging, either fail to provide a polynomial-time solution or are not applicable in the kernel setting. However, with oracle access to the geometric properties of the input space, we propose a polynomial-time algorithm that learns a classifier with \emph{exact} invariances. Moreover, our approach achieves the same excess population risk (or generalization error) as the original kernel regression problem. To the best of our knowledge, this is the first polynomial-time algorithm to achieve exact (as opposed to approximate) invariances in this setting, partially addressing a question posed by Diaz (2025) regarding the avoidance of prohibitively large and computationally intensive group averaging methods in kernel regression with exact invariances. Our proof leverages tools from differential geometry, spectral theory, and optimization. A key result in our development is a new reformulation of the problem of learning under invariances as optimizing an infinite number of linearly constrained convex quadratic programs, which may be of independent interest.

Mike Ranzinger, Greg Heinrich, Pavlo Molchanov, Bryan Catanzaro, Andrew Tao

The feature maps of vision encoders are fundamental to myriad modern AI tasks, ranging from core perception algorithms (e.g. semantic segmentation, object detection, depth perception, etc.) to modern multimodal understanding in vision-language models (VLMs). Currently, in computer vision, the frontier of general purpose vision backbones is Vision Transformers (ViT), typically trained using contrastive loss (e.g. CLIP). A key problem with most off-the-shelf ViTs, particularly CLIP, is that these models are inflexibly low resolution. Most run at $224\times 224$px, while the "high-resolution" versions are around $378-448$px, but still inflexible. We introduce a novel method to coherently and cheaply upsample the feature maps of low-resolution vision encoders while picking up on fine-grained details that would otherwise be lost due to resolution. We demonstrate the effectiveness of this approach on core perception tasks as well as within agglomerative model training using RADIO as a way of providing richer targets for distillation. Code available at https://github.com/NVlabs/FeatSharp

Jiyan Jiang, Wenpeng Zhang, Shiji Zhou, Lihong Gu, Xiaodong Zeng, Wenwu Zhu

This paper presents a systematic study of multi-objective online learning. We first formulate the framework of Multi-Objective Online Convex Optimization, which encompasses a novel multi-objective regret. This regret is built upon a sequence-wise extension of the commonly used discrepancy metric Pareto suboptimality gap in zero-order multi-objective bandits. We then derive an equivalent form of the regret, making it amenable to be optimized via first-order iterative methods. To motivate the algorithm design, we give an explicit example in which equipping OMD with the vanilla min-norm solver for gradient composition will incur a linear regret, which shows that merely regularizing the iterates, as in single-objective online learning, is not enough to guarantee sublinear regrets in the multi-objective setting. To resolve this issue, we propose a novel min-regularized-norm solver that regularizes the composite weights. Combining min-regularized-norm with OMD results in the Doubly Regularized Online Mirror Multiple Descent algorithm. We further derive the multi-objective regret bound for the proposed algorithm, which matches the optimal bound in the single-objective setting. Extensive experiments on several real-world datasets verify the effectiveness of the proposed algorithm.

Xiaoqi Wang, Han Wei Shen

Recently, Graph Neural Networks (GNNs) have significantly advanced the performance of machine learning tasks on graphs. However, this technological breakthrough makes people wonder: how does a GNN make such decisions, and can we trust its prediction with high confidence? When it comes to some critical fields, such as biomedicine, where making wrong decisions can have severe consequences, it is crucial to interpret the inner working mechanisms of GNNs before applying them. In this paper, we propose a model-agnostic model-level explanation method for different GNNs that follow the message passing scheme, GNNInterpreter, to explain the high-level decision-making process of the GNN model. More specifically, GNNInterpreter learns a probabilistic generative graph distribution that produces the most discriminative graph pattern the GNN tries to detect when making a certain prediction by optimizing a novel objective function specifically designed for the model-level explanation for GNNs. Compared to existing works, GNNInterpreter is more flexible and computationally efficient in generating explanation graphs with different types of node and edge features, without introducing another blackbox or requiring manually specified domain-specific rules. In addition, the experimental studies conducted on four different datasets demonstrate that the explanation graphs generated by GNNInterpreter match the desired graph pattern if the model is ideal; otherwise, potential model pitfalls can be revealed by the explanation.

Xin-Qiang Cai, Yao-Xiang Ding, Zixuan Chen, Yuan Jiang, Masashi Sugiyama, Zhi-Hua Zhou

In many real-world imitation learning tasks, the demonstrator and the learner have to act under different observation spaces. This situation brings significant obstacles to existing imitation learning approaches, since most of them learn policies under homogeneous observation spaces. On the other hand, previous studies under different observation spaces have strong assumptions that these two observation spaces coexist during the entire learning process. However, in reality, the observation coexistence will be limited due to the high cost of acquiring expert observations. In this work, we study this challenging problem with limited observation coexistence under heterogeneous observations: Heterogeneously Observable Imitation Learning (HOIL). We identify two underlying issues in HOIL: the dynamics mismatch and the support mismatch, and further propose the Importance Weighting with REjection (IWRE) algorithm based on importance weighting and learning with rejection to solve HOIL problems. Experimental results show that IWRE can solve various HOIL tasks, including the challenging tasks of transforming the vision-based demonstrations to random access memory (RAM)-based policies in the Atari domain, even with limited visual observations.

Yongqiang Chen, Kaiwen Zhou, Yatao Bian, Binghui Xie, Bingzhe Wu, Yonggang Zhang, MA KAILI, Han Yang, Peilin Zhao, Bo Han, James Cheng

Recently, there has been a growing surge of interest in enabling machine learning systems to generalize well to Out-of-Distribution (OOD) data. Most efforts are devoted to advancing optimization objectives that regularize models to capture the underlying invariance; however, there often are compromises in the optimization process of these OOD objectives: i) Many OOD objectives have to be relaxed as penalty terms of Empirical Risk Minimization (ERM) for the ease of optimization, while the relaxed forms can weaken the robustness of the original objective; ii) The penalty terms also require careful tuning of the penalty weights due to the intrinsic conflicts between ERM and OOD objectives. Consequently, these compromises could easily lead to suboptimal performance of either the ERM or OOD objective. To address these issues, we introduce a multi-objective optimization (MOO) perspective to understand the OOD optimization process, and propose a new optimization scheme called PAreto Invariant Risk Minimization (PAIR). PAIR improves the robustness of OOD objectives by cooperatively optimizing with other OOD objectives, thereby bridging the gaps caused by the relaxations. Then PAIR approaches a Pareto optimal solution that trades off the ERM and OOD objectives properly. Extensive experiments on challenging benchmarks, WILDS, show that PAIR alleviates the compromises and yields top OOD performances.

Yuhong Li, Tianle Cai, Yi Zhang, Deming Chen, Debadeepta Dey

Convolutional models have been widely used in multiple domains. However, most existing models only use local convolution, making the model unable to handle long-range dependencies efficiently. Attention overcomes this problem by aggregating global information based on the pair-wise attention score but also makes the computational complexity quadratic to the sequence length. Recently, Gu et al. proposed a model called S4 inspired by the state space model. S4 can be efficiently implemented as a global convolutional model whose kernel size equals the input sequence length. With Fast Fourier Transform, S4 can model much longer sequences than Transformers and achieve significant gains over SoTA on several long-range tasks. Despite its empirical success, S4 is involved. It requires sophisticated parameterization and initialization schemes that combine the wisdom from several prior works. As a result, S4 is less intuitive and hard to use for researchers with limited prior knowledge. Here we aim to demystify S4 and extract basic principles that contribute to the success of S4 as a global convolutional model. We focus on the structure of the convolution kernel and identify two critical but intuitive principles enjoyed by S4 that are sufficient to make up an effective global convolutional model: 1) The parameterization of the convolutional kernel needs to be efficient in the sense that the number of parameters should scale sub-linearly with sequence length. 2) The kernel needs to satisfy a decaying structure that the weights for convolving with closer neighbors are larger than the more distant ones. Based on the two principles, we propose a simple yet effective convolutional model called Structured Global Convolution (SGConv). SGConv exhibits strong empirical performance over several tasks: 1) With faster speed, SGConv surpasses the previous SoTA on Long Range Arena and Speech Command datasets. 2) When plugging SGConv into standard language and vision models, it shows the potential to improve both efficiency and performance.

Yihao Feng, Shentao Yang, Shujian Zhang, Jianguo Zhang, Caiming Xiong, Mingyuan Zhou, Huan Wang

When learning task-oriented dialogue (ToD) agents, reinforcement learning (RL) techniques can naturally be utilized to train dialogue strategies to achieve user-specific goals. Prior works mainly focus on adopting advanced RL techniques to train the ToD agents, while the design of the reward function is not well studied. This paper aims at answering the question of how to efficiently learn and leverage a reward function for training end-to-end (E2E) ToD agents. Specifically, we introduce two generalized objectives for reward-function learning, inspired by the classical learning-to-rank literature. Further, we utilize the learned reward function to guide the training of the E2E ToD agent. With the proposed techniques, we achieve competitive results on the E2E response-generation task on the Multiwoz 2.0 dataset. Source code and checkpoints are publicly released at https://github.com/Shentao-YANG/Fantastic_Reward_ICLR2023.

Hrayr Harutyunyan, Ankit Singh Rawat, Aditya Krishna Menon, Seungyeon Kim, Sanjiv Kumar

Despite the popularity and efficacy of knowledge distillation, there is limited understanding of why it helps. In order to study the generalization behavior of a distilled student, we propose a new theoretical framework that leverages supervision complexity: a measure of alignment between teacher-provided supervision and the student's neural tangent kernel. The framework highlights a delicate interplay among the teacher's accuracy, the student's margin with respect to the teacher predictions, and the complexity of the teacher predictions. Specifically, it provides a rigorous justification for the utility of various techniques that are prevalent in the context of distillation, such as early stopping and temperature scaling. Our analysis further suggests the use of online distillation, where a student receives increasingly more complex supervision from teachers in different stages of their training. We demonstrate efficacy of online distillation and validate the theoretical findings on a range of image classification benchmarks and model architectures.

Yiqun Wang, Yuning Shen, Shi Chen, Lihao Wang, Fei YE, Hao Zhou

Molecular representation learning plays a crucial role in AI-assisted drug discovery research. Encoding 3D molecular structures through Euclidean neural networks has become the prevailing method in the geometric deep learning community. However, the equivariance constraints and message passing in Euclidean space may limit the network expressive power. In this work, we propose a Harmonic Molecular Representation learning (HMR) framework, which represents a molecule using the Laplace-Beltrami eigenfunctions of the molecular surface. HMR offers a multi-resolution representation of molecular geometric and chemical properties on 2D Riemannian manifold. We also introduce a harmonic message passing method to realize efficient spectral message passing over the surface manifold for better molecular encoding. Our proposed method shows comparable predictive power to current models in small molecule property prediction, and outperforms the state-of-the-art deep learning models for the rigid protein docking challenge, demonstrating its versatility in molecular representation learning.

Arya Fayyazi, Mehdi Kamal, Massoud Pedram

We propose FACTER, a fairness-aware framework for LLM-based recommendation systems that integrates conformal prediction with dynamic prompt engineering. By introducing an adaptive semantic variance threshold and a violation-triggered mechanism, FACTER automatically tightens fairness constraints whenever biased patterns emerge. We further develop an adversarial prompt generator that leverages historical violations to reduce repeated demographic biases without retraining the LLM. Empirical results on MovieLens and Amazon show that FACTER substantially reduces fairness violations (up to 95.5%) while maintaining strong recommendation accuracy, revealing semantic variance as a potent proxy of bias.

Olivia Wiles, Sven Gowal, Florian Stimberg, Sylvestre-Alvise Rebuffi, Ira Ktena, Krishnamurthy Dj Dvijotham, Ali Taylan Cemgil

Robustness to distribution shifts is critical for deploying machine learning models in the real world. Despite this necessity, there has been little work in defining the underlying mechanisms that cause these shifts and evaluating the robustness of algorithms across multiple, different distribution shifts. To this end, we introduce a framework that enables fine-grained analysis of various distribution shifts. We provide a holistic analysis of current state-of-the-art methods by evaluating 19 distinct methods grouped into five categories across both synthetic and real-world datasets. Overall, we train more than 85K models. Our experimental framework can be easily extended to include new methods, shifts, and datasets. We find, unlike previous work (Gulrajani & Lopez-Paz, 2021), that progress has been made over a standard ERM baseline; in particular, pretraining and augmentations (learned or heuristic) offer large gains in many cases. However, the best methods are not consistent over different datasets and shifts. We will open source our experimental framework, allowing future work to evaluate new methods over multiple shifts to obtain a more complete picture of a method's effectiveness. Code is available at github.com/deepmind/distribution_shift_framework.

Razaib Tariq, Minji Heo, Shahroz Tariq, Simon Woo

Deepfake detection remains a pressing challenge, particularly in real-world settings where smartphone-captured media from digital screens often introduces Moiré artifacts that can distort detection outcomes. This study systematically evaluates state-of-the-art (SOTA) deepfake detectors on Moiré-affected videos—an issue that has received little attention. We collected a dataset of 12,832 videos, spanning 35.64 hours, from Celeb-DF, DFD, DFDC, UADFV, and FF++ datasets, capturing footage under diverse real-world conditions, including varying screens, smartphones, lighting setups, and camera angles. To further examine the influence of Moiré patterns on deepfake detection, we conducted additional experiments using our DeepMoiréFake, referred to as (DMF) dataset, and two synthetic Moiré generation techniques. Across 15 top-performing detectors, our results show that Moiré artifacts degrade performance by as much as 25.4\%, while synthetically generated Moiré patterns lead to a 21.4\% drop in accuracy. Surprisingly, demoiréing methods, intended as a mitigation approach, instead worsened the problem, reducing accuracy by up to 16\%. These findings underscore the urgent need for detection models that can robustly handle Moiré distortions alongside other real-world challenges, such as compression, sharpening, and blurring. By introducing the DMF dataset, we aim to drive future research toward closing the gap between controlled experiments and practical deepfake detection.

Ali Ebrahimpour-Boroojeny, Hari Sundaram, Varun Chandrasekaran

Machine unlearning, where users can request the deletion of a forget dataset, is becoming increasingly important because of numerous privacy regulations. Initial works on "exact'' unlearning (e.g., retraining) incur large computational overheads. However, while computationally inexpensive, "approximate'' methods have fallen short of reaching the effectiveness of exact unlearning: models produced fail to obtain comparable accuracy and prediction confidence on both the forget and test (i.e., unseen) dataset. Exploiting this observation, we propose a new unlearning method, Adversarial Machine UNlearning (AMUN), that outperforms prior state-of-the-art (SOTA) methods for image classification. AMUN lowers the confidence of the model on the forget samples by fine-tuning the model on their corresponding adversarial examples. Adversarial examples naturally belong to the distribution imposed by the model on the input space; fine-tuning the model on the adversarial examples closest to the corresponding forget samples (a) localizes the changes to the decision boundary of the model around each forget sample and (b) avoids drastic changes to the global behavior of the model, thereby preserving the model's accuracy on test samples. Using AMUN for unlearning a random 10% of CIFAR-10 samples, we observe that even SOTA membership inference attacks cannot do better than random guessing.

Kirk, Hannah Rose, Jun, Yennie, Volpin, Filippo, Iqbal, Haider, Benussi, Elias, Dreyer, Frederic, Shtedritski, Aleksandar, Asano, Yuki

The capabilities of natural language models trained on large-scale data have increased immensely over the past few years. Open source libraries such as HuggingFace have made these models easily available and accessible. While prior research has identified biases in large language models, this paper considers biases contained in the most popular versions of these models when applied `out-of-the-box' for downstream tasks. We focus on generative language models as they are well-suited for extracting biases inherited from training data. Specifically, we conduct an in-depth analysis of GPT-2, which is the most downloaded text generation model on HuggingFace, with over half a million downloads per month. We assess biases related to occupational associations for different protected categories by intersecting gender with religion, sexuality, ethnicity, political affiliation, and continental name origin. Using a template-based data collection pipeline, we collect 396K sentence completions made by GPT-2 and find: (i) The machine-predicted jobs are less diverse and more stereotypical for women than for men, especially for intersections; (ii) Intersectional interactions are highly relevant for occupational associations, which we quantify by fitting 262 logistic models; (iii) For most occupations, GPT-2 reflects the skewed gender and ethnicity distribution found in US Labor Bureau data, and even pulls the societally-skewed distribution towards gender parity in cases where its predictions deviate from real labor market observations. This raises the normative question of what language models \textit{should} learn - whether they should reflect or correct for existing inequalities.

Zhaoxuan Kan, Husheng Han, shangyi shi, Tenghui Hua, Hang Lu, Xiaowei Li, Jianan Mu, Xing Hu

Graph Convolutional Neural Networks (GCNs) have gained widespread popularity in various fields like personal healthcare and financial systems, due to their remarkable performance. Despite the growing demand for cloud-based GCN services, privacy concerns over sensitive graph data remain significant. Homomorphic Encryption (HE) facilitates Privacy-Preserving Machine Learning (PPML) by allowing computations to be performed on encrypted data. However, HE introduces substantial computational overhead, particularly for GCN operations that require rotations and multiplications in matrix products. The sparsity of GCNs offers significant performance potential, but their irregularity introduces additional operations that reduce practical gains. In this paper, we propose FicGCN, a HE-based framework specifically designed to harness the sparse characteristics of GCNs and strike a globally optimal balance between aggregation and combination operations. FicGCN employs a latency-aware packing scheme, a Sparse Intra-Ciphertext Aggregation (SpIntra-CA) method to minimize rotation overhead, and a region-based data reordering driven by local adjacency structure. We evaluated FicGCN on several popular datasets, and the results show that FicGCN achieved the best performance across all tested datasets, with up to a $4.10\times$ improvement over the latest design.

Jieyu Zhang, Bohan Wang, Xiangchen Song, Yujing Wang, Yaming Yang, Jing Bai, Alexander Ratner

Creating labeled training sets has become one of the major roadblocks in machine learning. To address this, recent Weak Supervision (WS) frameworks synthesize training labels from multiple potentially noisy supervision sources. However, existing frameworks are restricted to supervision sources that share the same output space as the target task. To extend the scope of usable sources, we formulate Weak Indirect Supervision (WIS), a new research problem for automatically synthesizing training labels based on indirect supervision sources that have different output label spaces. To overcome the challenge of mismatched output spaces, we develop a probabilistic modeling approach, PLRM, which uses user-provided label relations to model and leverage indirect supervision sources. Moreover, we provide a theoretically-principled test of the distinguishability of PLRM for unseen labels, along with an generalization bound. On both image and text classification tasks as well as an industrial advertising application, we demonstrate the advantages of PLRM by outperforming baselines by a margin of 2%-9%.

Rianne van den Berg, Alexey A. Gritsenko, Mostafa Dehghani, Casper Kaae Sønderby, Tim Salimans

In this paper we analyse and improve integer discrete flows for lossless compression. Integer discrete flows are a recently proposed class of models that learn invertible transformations for integer-valued random variables. Their discrete nature makes them particularly suitable for lossless compression with entropy coding schemes. We start by investigating a recent theoretical claim that states that invertible flows for discrete random variables are less flexible than their continuous counterparts. We demonstrate with a proof that this claim does not hold for integer discrete flows due to the embedding of data with finite support into the countably infinite integer lattice. Furthermore, we zoom in on the effect of gradient bias due to the straight-through estimator in integer discrete flows, and demonstrate that its influence is highly dependent on architecture choices and less prominent than previously thought. Finally, we show how different architecture modifications improve the performance of this model class for lossless compression, and that they also enable more efficient compression: a model with half the number of flow layers performs on par with or better than the original integer discrete flow model.

Mengxuan Chen, Li, Zou Ziheng, Fang Wang, Jinxiao Zhang, Runmin Dong, Juepeng Zheng, Haohuan Fu

Seasonal-scale climate prediction plays a critical role in supporting agricultural planning, disaster prevention, and long-term decision making. In particular, reliable forecasts issued 1-6 months in advance are essential for early warning of flood and drought risks associated with precipitation during the East Asian summer monsoon season. However, while the use of machine learning techniques has advanced rapidly in weather and subseasonal-to-seasonal forecasting, partly driven by the availability of benchmark datasets, their application to seasonal-scale prediction remains limited. Existing seasonal prediction primarily relies on ensemble forecasts from numerical models, which, while physically grounded, are subject to biases and uncertainties at long lead times. Motivated by these challenges, we propose SeasonBench-EA, a benchmark dataset for seasonal prediction in East Asia region. It features multi-resolution, multi-source data with both regional and global coverage, integrating ERA5 reanalysis data and ensemble forecasts from multiple leading forecast centers. Beyond key atmospheric fields, the dataset also includes boundary-related variables, such as ocean state, soil and solar radiation, that are essential for capturing seasonal-scale atmospheric variability. Two tasks are defined and evaluated: 1) machine learning-based seasonal prediction using ERA5 reanalysis, and 2) post-processing of seasonal forecasts from numerical model ensembles. A suite of deterministic and probabilistic metrics is provided for tasks evaluation, along with a hindcast assessment focused on precipitation during the East Asian summer monsoon, aligned with model evaluation protocols used in operations. By offering a unified data and evaluation framework, SeasonBench-EA aims to promote the development and application of data-driven methods for seasonal prediction, a challenging yet highly impactful task with board implications for society and public well-being. Our benchmark is available at https://github.com/SauryChen/SeasonBench-EA.

Shaobin Zhuang, Yiwei Guo, Fangyikang Wang, Canmiao Fu, Zhipeng Huang, Zeyue Tian, Xiaohui Li, Ying Zhang, Chen Li, Yali Wang

Visual tokenizer is a critical component for vision generation. However, the existing tokenizers often face unsatisfactory trade-off between compression ratios and reconstruction fidelity. To fill this gap, we introduce a powerful and concise WeTok tokenizer, which surpasses the previous leading tokenizers via two core innovations. (1) Group-wise lookup-free Quantization (GQ). We partition the latent features into groups, and perform lookup-free quantization for each group. As a result, GQ can efficiently overcome memory and computation limitations of prior tokenizers, while achieving a reconstruction breakthrough with more scalable codebooks. (2) Generative Decoding (GD). Different from prior tokenizers, we introduce a generative decoder with a prior of extra noise variable. In this case, GD can probabilistically model the distribution of visual data conditioned on discrete tokens, allowing WeTok to reconstruct visual details, especially at high compression ratios. On the ImageNet 50k validation set, at a high-fidelity setting, WeTok achieves a record-low zero-shot rFID of 0.12, outperforming leading continuous tokenizers like FLUX-VAE (0.18) and SD-VAE 3.5 (0.19) with 400% compression ratio. Furthermore, in a high-compression regime, WeTok achieves a zero-shot rFID of 3.49 at a 768× compression ratio, substantially surpassing Cosmos, which scores 4.57 at only 50% our compression ratio.

Gautam Singh, Yeongbin Kim, Sungjin Ahn

The key to high-level cognition is believed to be the ability to systematically manipulate and compose knowledge pieces. While token-like structured knowledge representations are naturally provided in text, it is elusive how to obtain them for unstructured modalities such as scene images. In this paper, we propose a neural mechanism called Neural Systematic Binder or SysBinder for constructing a novel structured representation called Block-Slot Representation. In Block-Slot Representation, object-centric representations known as slots are constructed by composing a set of independent factor representations called blocks, to facilitate systematic generalization. SysBinder obtains this structure in an unsupervised way by alternatingly applying two different binding principles: spatial binding for spatial modularity across the full scene and factor binding for factor modularity within an object. SysBinder is a simple, deterministic, and general-purpose layer that can be applied as a drop-in module in any arbitrary neural network and on any modality. In experiments, we find that SysBinder provides significantly better factor disentanglement within the slots than the conventional object-centric methods, including, for the first time, in visually complex scene images such as CLEVR-Tex. Furthermore, we demonstrate factor-level systematicity in controlled scene generation by decoding unseen factor combinations.

Aaron Palmer, Zhiyi Chi, Derek Aguiar, Jinbo Bi

For generative autoencoders to learn a meaningful latent representation for data generation, a careful balance must be achieved between reconstruction error and how close the distribution in the latent space is to the prior. However, this balance is challenging to achieve due to a lack of criteria that work both at the mini-batch (local) and aggregated posterior (global) level. In this work, we develop the Goodness of Fit Autoencoder (GoFAE), which incorporates hypothesis tests at two levels. At the mini-batch level, it uses GoF test statistics as regularization objectives. At a more global level, it selects a regularization coefficient based on higher criticism, i.e., a test on the uniformity of the local GoF p-values. We justify the use of GoF tests by providing a relaxed $L_2$-Wasserstein bound on the distance between the latent distribution and target prior. We propose to use GoF tests and prove that optimization based on these tests can be done with stochastic gradient (SGD) descent on a compact Riemannian manifold. Empirically, we show that our higher criticism parameter selection procedure balances reconstruction and generation using mutual information and uniformity of p-values respectively. Finally, we show that GoFAE achieves comparable FID scores and mean squared errors with competing deep generative models while retaining statistical indistinguishability from Gaussian in the latent space based on a variety of hypothesis tests.

Ziang Chen, Jialin Liu, Xinshang Wang, Wotao Yin

While Mixed-integer linear programming (MILP) is NP-hard in general, practical MILP has received roughly 100--fold speedup in the past twenty years. Still, many classes of MILPs quickly become unsolvable as their sizes increase, motivating researchers to seek new acceleration techniques for MILPs. With deep learning, they have obtained strong empirical results, and many results were obtained by applying graph neural networks (GNNs) to making decisions in various stages of MILP solution processes. This work discovers a fundamental limitation: there exist feasible and infeasible MILPs that all GNNs will, however, treat equally, indicating GNN's lacking power to express general MILPs. Then, we show that, by restricting the MILPs to unfoldable ones or by adding random features, there exist GNNs that can reliably predict MILP feasibility, optimal objective values, and optimal solutions up to prescribed precision. We conducted small-scale numerical experiments to validate our theoretical findings.

Xu, Huan, Mannor, Shie

Computation of a satisfactory control policy for a Markov decision process when the parameters of the model are not exactly known is a problem encountered in many practical applications. The traditional robust approach is based on a worstcase analysis and may lead to an overly conservative policy. In this paper we consider the tradeoff between nominal performance and the worst case performance over all possible models. Based on parametric linear programming, we propose a method that computes the whole set of Pareto efficient policies in the performancerobustness plane when only the reward parameters are subject to uncertainty. In the more general case when the transition probabilities are also subject to error, we show that the strategy with the "optimal" tradeoff might be non-Markovian and hence is in general not tractable.

SungYub Kim, Sihwan Park, Kyung-Su Kim, Eunho Yang

Studying the loss landscapes of neural networks is critical to identifying generalizations and avoiding overconfident predictions. Flatness, which measures the perturbation resilience of pre-trained parameters for loss values, is widely acknowledged as an essential predictor of generalization. While the concept of flatness has been formalized as a PAC-Bayes bound, it has been observed that the generalization bounds can vary arbitrarily depending on the scale of the model parameters. Despite previous attempts to address this issue, generalization bounds remain vulnerable to function-preserving scaling transformations or are limited to impractical network structures. In this paper, we introduce new PAC-Bayes prior and posterior distributions invariant to scaling transformations, achieved through the \textit{decomposition of perturbations into scale and connectivity components}. In this way, this approach expands the range of networks to which the resulting generalization bound can be applied, including those with practical transformations such as weight decay with batch normalization. Moreover, we demonstrate that scale-dependency issues of flatness can adversely affect the uncertainty calibration of Laplace approximation, and we propose a solution using our invariant posterior. Our proposed invariant posterior allows for effective measurement of flatness and calibration with low complexity while remaining invariant to practical parameter transformations, also applying it as a reliable predictor of neural network generalization.

Filipe de Avila Belbute-Peres, J Zico Kolter

Neural networks with sinusoidal activations have been proposed as an alternative to networks with traditional activation functions. Despite their promise, particularly for learning implicit models, their training behavior is not yet fully understood, leading to a number of empirical design choices that are not well justified. In this work, we first propose a simplified version of such sinusoidal neural networks, which allows both for easier practical implementation and simpler theoretical analysis. We then analyze the behavior of these networks from the neural tangent kernel perspective and demonstrate that their kernel approximates a low-pass filter with an adjustable bandwidth. Finally, we utilize these insights to inform the sinusoidal network initialization, optimizing their performance for each of a series of tasks, including learning implicit models and solving differential equations.

Zixuan Liu, Ziqiao Wang, Hongyu Guo, Yongyi Mao

Mixup, which creates synthetic training instances by linearly interpolating random sample pairs, is a simple and yet effective regularization technique to boost the performance of deep models trained with SGD. In this work, we report a previously unobserved phenomenon in Mixup raining: on a number of standard datasets, the performance of Mixup-trained models starts to decay after training for a large number of epochs, giving rise to a U-shaped generalization curve. This behavior is further aggravated when the size of original dataset is reduced. To help understand such a behavior of Mixup, we show theoretically that Mixup training may introduce undesired data-dependent label noises to the synthesized data. Via analyzing a least-square regression problem with a random feature model, we explain why noisy labels may cause the U-shaped curve to occur: Mixup improves generalization through fitting the clean patterns at the early training stage, but as training progresses, Mixup becomes over-fitting to the noise in the synthetic data. Extensive experiments are performed on a variety of benchmark datasets, validating this explanation.

Siddhant Agarwal, Harshit Sikchi, Peter Stone, Amy Zhang

Having explored an environment, intelligent agents should be able to transfer their knowledge to most downstream tasks within that environment without additional interactions. Referred to as "zero-shot learning", this ability remains elusive for general-purpose reinforcement learning algorithms. While recent works have attempted to produce zero-shot RL agents, they make assumptions about the nature of the tasks or the structure of the MDP. We present *Proto Successor Measure*: the basis set for all possible behaviors of a Reinforcement Learning Agent in a dynamical system. We prove that any possible behavior (represented using visitation distributions) can be represented using an affine combination of these policy-independent basis functions. Given a reward function at test time, we simply need to find the right set of linear weights to combine these bases corresponding to the optimal policy. We derive a practical algorithm to learn these basis functions using reward-free interaction data from the environment and show that our approach can produce the near-optimal policy at test time for any given reward function without additional environmental interactions. Project page: agarwalsiddhant10.github.io/projects/psm.html.

Zhe Xu, Daoyuan Chen, Zhenqing Ling, Yaliang Li, Ying Shen

Large foundation models face challenges in acquiring transferable, structured thinking abilities, especially when supervised with rigid templates or crowd-annotated instruction datasets. Unlike prior approaches, we focus on a thinking-centric data synthesis paradigm that enables models to evolve through self-generated, cognitively guided data. We propose MindGYM, a structured and scalable framework for question synthesis, composed of: (1) Cognitive Thinking Process Injection, which infuses high-level reasoning objectives to shape the model’s synthesis behavior; (2) Seed Single-Hop Question Synthesis, generating atomic questions from diverse semantic types to encourage broader thinking; and (3) Challenging Multi-Hop QA Synthesis, composing more complex multi-hop questions based on QA seeds for deeper reasoning. Detailed analysis shows that synthetic data generated by our method achieves 16.7% higher average quality and 67.91% lower quality variance compared to baseline sources, highlighting that both high-quality and self-contained data are essential for effective, thinking-oriented fine-tuning. MindGYM improves performance on six reasoning benchmarks, achieving gains of up to 16% on MathVision using only 400 data samples, and generalizable improvements across different model sizes and architectures. MindGYM underscores the viability of self-challenging mechanisms in refining large model capabilities while minimizing human intervention and resource demands.Code and data are released to promote data-centric research into self-evolving foundation models driven by their internal reasoning capabilities.

Idan Achituve, Hai Victor Habi, Amir Rosenfeld, Arnon Netzer, Idit Diamant, Ethan Fetaya

In image processing, solving inverse problems is the task of finding plausible reconstructions of an image that was corrupted by some (usually known) degradation operator. Commonly, this process is done using a generative image model that can guide the reconstruction towards solutions that appear natural. The success of diffusion models over the last few years has made them a leading candidate for this task. However, the sequential nature of diffusion models makes this conditional sampling process challenging. Furthermore, since diffusion models are often defined in the latent space of an autoencoder, the encoder-decoder transformations introduce additional difficulties. To address these challenges, we suggest a novel sampling method based on sequential Monte Carlo (SMC) in the latent space of diffusion models. We name our method LD-SMC. We define a generative model for the data using additional auxiliary observations and perform posterior inference with SMC sampling based on a backward diffusion process. Empirical evaluations on ImageNet and FFHQ show the benefits of LD-SMC over competing methods in various inverse problem tasks and especially in challenging inpainting tasks.

Samuel Ainsworth, Jonathan Hayase, Siddhartha Srinivasa

The success of deep learning is due in large part to our ability to solve certain massive non-convex optimization problems with relative ease. Though non-convex optimization is NP-hard, simple algorithms -- often variants of stochastic gradient descent -- exhibit surprising effectiveness in fitting large neural networks in practice. We argue that neural network loss landscapes often contain (nearly) a single basin after accounting for all possible permutation symmetries of hidden units a la Entezari et al. 2021. We introduce three algorithms to permute the units of one model to bring them into alignment with a reference model in order to merge the two models in weight space. This transformation produces a functionally equivalent set of weights that lie in an approximately convex basin near the reference model. Experimentally, we demonstrate the single basin phenomenon across a variety of model architectures and datasets, including the first (to our knowledge) demonstration of zero-barrier linear mode connectivity between independently trained ResNet models on CIFAR-10. Additionally, we identify intriguing phenomena relating model width and training time to mode connectivity. Finally, we discuss shortcomings of the linear mode connectivity hypothesis, including a counterexample to the single basin theory.

Dianbo Liu, Vedant Shah, Oussama Boussif, Cristian Meo, Anirudh Goyal, Tianmin Shu, Michael Curtis Mozer, Nicolas Heess, Yoshua Bengio

In cooperative multi-agent reinforcement learning, a team of agents works together to achieve a common goal. Different environments or tasks may require varying degrees of coordination among agents in order to achieve the goal in an optimal way. The nature of coordination will depend on properties of the environment—its spatial layout, distribution of obstacles, dynamics, etc. We term this variation of properties within an environment as heterogeneity. Existing literature has not sufficiently addressed the fact that different environments may have different levels of heterogeneity. We formalize the notions of coordination level and heterogeneity level of an environment and present HECOGrid, a suite of multi-agent RL environments that facilitates empirical evaluation of different MARL approaches across different levels of coordination and environmental heterogeneity by providing a quantitative control over coordination and heterogeneity levels of the environment. Further, we propose a Centralized Training Decentralized Execution learning approach called Stateful Active Facilitator (SAF) that enables agents to work efficiently in high-coordination and high-heterogeneity environments through a differentiable and shared knowledge source used during training and dynamic selection from a shared pool of policies. We evaluate SAF and compare its performance against baselines IPPO and MAPPO on HECOGrid. Our results show that SAF consistently outperforms the baselines across different tasks and different heterogeneity and coordination levels.

Fred Lu, Edward Raff, Francis Ferraro

Many metric learning tasks, such as triplet learning, nearest neighbor retrieval, and visualization, are treated primarily as embedding tasks where the ultimate metric is some variant of the Euclidean distance (e.g., cosine or Mahalanobis), and the algorithm must learn to embed points into the pre-chosen space. The study of non-Euclidean geometries is often not explored, which we believe is due to a lack of tools for learning non-Euclidean measures of distance. Recent work has shown that Bregman divergences can be learned from data, opening a promising approach to learning asymmetric distances. We propose a new approach to learning arbitrary Bergman divergences in a differentiable manner via input convex neural networks and show that it overcomes significant limitations of previous works. We also demonstrate that our method more faithfully learns divergences over a set of both new and previously studied tasks, including asymmetric regression, ranking, and clustering. Our tests further extend to known asymmetric, but non-Bregman tasks, where our method still performs competitively despite misspecification, showing the general utility of our approach for asymmetric learning.

Xiaoyan Hu, Ho-fung Leung, Farzan Farnia

Selecting a sample generation scheme from multiple prompt-based generative models, including large language models (LLMs) and prompt-guided image and video generation models, is typically addressed by choosing the model that maximizes an averaged evaluation score. However, this score-based selection overlooks the possibility that different models achieve the best generation performance for different types of text prompts. An online identification of the best generation model for various input prompts can reduce the costs associated with querying sub-optimal models. In this work, we explore the possibility of varying rankings of text-based generative models for different text prompts and propose an online learning framework to predict the best data generation model for a given input prompt. The proposed PAK-UCB algorithm addresses a contextual bandit (CB) setting with shared context variables across the arms, utilizing the generated data to update kernel-based functions that predict the score of each model available for unseen text prompts. Additionally, we leverage random Fourier features (RFF) to accelerate the online learning process of PAK-UCB. Our numerical experiments on real and simulated text-to-image and image-to-text generative models show that RFF-UCB performs successfully in identifying the best generation model across different sample types. The code is available at: [github.com/yannxiaoyanhu/dgm-online-select](github.com/yannxiaoyanhu/dgm-online-select).

Chenjun Xiao, Han Wang, Yangchen Pan, Adam White, Martha White

Reinforcement learning (RL) agents can leverage batches of previously collected data to extract a reasonable control policy. An emerging issue in this offline RL setting, however, is that the bootstrapping update underlying many of our methods suffers from insufficient action-coverage: standard max operator may select a maximal action that has not been seen in the dataset. Bootstrapping from these inaccurate values can lead to overestimation and even divergence. There are a growing number of methods that attempt to approximate an in-sample max, that only uses actions well-covered by the dataset. We highlight a simple fact: it is more straightforward to approximate an in-sample softmax using only actions in the dataset. We show that policy iteration based on the in-sample softmax converges, and that for decreasing temperatures it approaches the in-sample max. We derive an In-Sample Actor-Critic (AC), using this in-sample softmax, and show that it is consistently better or comparable to existing offline RL methods, and is also well-suited to fine-tuning. We release the code at github.com/hwang-ua/inac_pytorch.

Jeremy Tien, Jerry Zhi-Yang He, Zackory Erickson, Anca Dragan, Daniel S. Brown

Learning policies via preference-based reward learning is an increasingly popular method for customizing agent behavior, but has been shown anecdotally to be prone to spurious correlations and reward hacking behaviors. While much prior work focuses on causal confusion in reinforcement learning and behavioral cloning, we focus on a systematic study of causal confusion and reward misidentification when learning from preferences. In particular, we perform a series of sensitivity and ablation analyses on several benchmark domains where rewards learned from preferences achieve minimal test error but fail to generalize to out-of-distribution states---resulting in poor policy performance when optimized. We find that the presence of non-causal distractor features, noise in the stated preferences, and partial state observability can all exacerbate reward misidentification. We also identify a set of methods with which to interpret misidentified learned rewards. In general, we observe that optimizing misidentified rewards drives the policy off the reward's training distribution, resulting in high predicted (learned) rewards but low true rewards. These findings illuminate the susceptibility of preference learning to reward misidentification and causal confusion---failure to consider even one of many factors can result in unexpected, undesirable behavior.

Jinhao Jiang, Kun Zhou, Xin Zhao, Ji-Rong Wen

Multi-hop Question Answering over Knowledge Graph~(KGQA) aims to find the answer entities that are multiple hops away from the topic entities mentioned in a natural language question on a large-scale Knowledge Graph (KG). To cope with the vast search space, existing work usually adopts a two-stage approach: it first retrieves a relatively small subgraph related to the question and then performs the reasoning on the subgraph to find the answer entities accurately. Although these two stages are highly related, previous work employs very different technical solutions for developing the retrieval and reasoning models, neglecting their relatedness in task essence. In this paper, we propose UniKGQA, a novel approach for multi-hop KGQA task, by unifying retrieval and reasoning in both model architecture and parameter learning. For model architecture, UniKGQA consists of a semantic matching module based on a pre-trained language model~(PLM) for question-relation semantic matching, and a matching information propagation module to propagate the matching information along the directed edges on KGs. For parameter learning, we design a shared pre-training task based on question-relation matching for both retrieval and reasoning models, and then propose retrieval- and reasoning-oriented fine-tuning strategies. Compared with previous studies, our approach is more unified, tightly relating the retrieval and reasoning stages. Extensive experiments on three benchmark datasets have demonstrated the effectiveness of our method on the multi-hop KGQA task. Our codes and data are publicly available at~\url{https://github.com/RUCAIBox/UniKGQA}.

Nitesh Kumar, Ondřej Kuželka

Sampling is a popular method for approximate inference when exact inference is impractical. Generally, sampling algorithms do not exploit context-specific independence (CSI) properties of probability distributions. We introduce context-specific likelihood weighting (CS-LW), a new sampling methodology, which besides exploiting the classical conditional independence properties, also exploits CSI properties. Unlike the standard likelihood weighting, CS-LW is based on partial assignments of random variables and requires fewer samples for convergence due to the sampling variance reduction. Furthermore, the speed of generating samples increases. Our novel notion of contextual assignments theoretically justifies CS-LW. We empirically show that CS-LW is competitive with state-of-the-art algorithms for approximate inference in the presence of a significant amount of CSIs.

Animesh Gupta, Jay Parmar, Ishan Rajendrakumar Dave, Mubarak Shah

Composed Video Retrieval (CoVR) retrieves a target video given a query video and a modification text describing the intended change. Existing CoVR benchmarks emphasize appearance shifts or coarse event changes and therefore do not test the ability to capture subtle, fast-paced temporal differences. We introduce TF-CoVR, the first large-scale benchmark dedicated to temporally fine-grained CoVR. TF-CoVR focuses on gymnastics and diving, and provides 180K triplets drawn from FineGym and FineDiving datasets. Previous CoVR benchmarks, focusing on temporal aspect, link each query to a single target segment taken from the same video, limiting practical usefulness. In TF-CoVR, we instead construct each pair by prompting an LLM with the label differences between clips drawn from different videos; every pair is thus associated with multiple valid target videos (3.9 on average), reflecting real-world tasks such as sports-highlight generation. To model these temporal dynamics, we propose TF-CoVR-Base, a concise two-stage training framework: (i) pre-train a video encoder on fine-grained action classification to obtain temporally discriminative embeddings; (ii) align the composed query with candidate videos using contrastive learning. We conduct the first comprehensive study of image, video, and general multimodal embedding (GME) models on temporally fine-grained composed retrieval in both zero-shot and fine-tuning regimes. On TF-CoVR, TF-CoVR-Base improves zero-shot mAP@50 from 5.92 (LanguageBind) to 7.51, and after fine-tuning raises the state-of-the-art from 19.83 to 27.22.

Pu Hua, Yubei Chen, Huazhe Xu

The low-level sensory and motor signals in deep reinforcement learning, which exist in high-dimensional spaces such as image observations or motor torques, are inherently challenging to understand or utilize directly for downstream tasks. While sensory representations have been extensively studied, the representations of motor actions are still an area of active exploration. Our work reveals that a space containing meaningful action representations emerges when a multi-task policy network takes as inputs both states and task embeddings. Moderate constraints are added to improve its representation ability. Therefore, interpolated or composed embeddings can function as a high-level interface within this space, providing instructions to the agent for executing meaningful action sequences. Empirical results demonstrate that the proposed action representations are effective for intra-action interpolation and inter-action composition with limited or no additional learning. Furthermore, our approach exhibits superior task adaptation ability compared to strong baselines in Mujoco locomotion tasks. Our work sheds light on the promising direction of learning action representations for efficient, adaptable, and composable RL, forming the basis of abstract action planning and the understanding of motor signal space. Project page: https://sites.google.com/view/emergent-action-representation/

Etai Littwin, Greg Yang

Recent works have developed detailed understanding of large neural networks' behaviors via their infinite-width limits, e.g., the neural tangent kernel (NTK) and the feature learning ($\mu$) limits. These theories were developed for stochastic gradient descent. Yet, in practice, all large NN are trained using Adam or other adaptive gradient optimizers (AGO), which are not covered by such previous works. Here, we close this gap via the Tensor Programs framework. Specifically, for deep MLPs, we derive the NTK and $\mu$ parametrizations as well as their infinite-width limits. We find 1) The NTK limit of AGO, in contrast to that of SGD, now depends nonlinearly on the loss derivative but nevertheless still fails to learn features; 2) this is fixed by the $\mu$ limit of AGO (as in the case of SGD). To obtain these results, we extend the Tensor Programs language with a new instruction that allows one to express the gradient processing done by AGOs.

Jingqing Zhang, Yao Zhao, Mohammad Saleh, Peter Liu

Recent work pre-training Transformers with self-supervised objectives on large text corpora has shown great success when fine-tuned on downstream NLP tasks including text summarization. However, pre-training objectives tailored for abstractive text summarization have not been explored. Furthermore there is a lack of systematic evaluation across diverse domains. In this work, we propose pre-training large Transformer-based encoder-decoder models on massive text corpora with a new self-supervised objective. In PEGASUS, important sentences are removed/masked from an input document and are generated together as one output sequence from the remaining sentences, similar to an extractive summary. We evaluated our best PEGASUS model on 12 downstream summarization tasks spanning news, science, stories, instructions, emails, patents, and legislative bills. Experiments demonstrate it achieves state-of-the-art performance on all 12 downstream datasets measured by ROUGE scores. Our model also shows surprising performance on low-resource summarization, surpassing previous state-of-the-art results on 6 datasets with only 1000 examples. Finally we validated our results using human evaluation and show that our model summaries achieve human performance on multiple datasets.

Eshika Saxena, Alberto Alfarano, Emily Wenger, Kristin Lauter

Recent work showed that ML-based attacks on Learning with Errors (LWE), a hard problem used in post-quantum cryptography, outperform classical algebraic attacks in certain settings. Although promising, ML attacks struggle to scale to more complex LWE settings. Prior work connected this issue to the difficulty of training ML models to do modular arithmetic, a core feature of the LWE problem. To address this, we develop techniques that significantly boost the performance of ML models on modular arithmetic tasks—enabling the models to sum up to $N=128$ elements modulo $q\le 974269$. Our core innovation is the use of custom training data distributions and a carefully designed loss function that better represents the problem structure. We apply an initial proof of concept of our techniques to LWE specifically and find that they allow recovery of 2x harder secrets than prior work. Our techniques also help ML models learn other well-studied problems better, including copy, associative recall, and parity, motivating further study.

Hengyuan Hu, Aniket Das, Dorsa Sadigh, Nima Anari

Denoising Diffusion Probabilistic Models (DDPMs) have emerged as powerful tools for generative modeling. However, their sequential computation requirements lead to significant inference-time bottlenecks. In this work, we utilize the connection between DDPMs and Stochastic Localization to prove that, under an appropriate reparametrization, the increments of DDPM satisfy an exchangeability property. This general insight enables near-black-box adaptation of various performance optimization techniques from autoregressive models to the diffusion setting. To demonstrate this, we introduce _Autospeculative Decoding_ (ASD), an extension of the widely used speculative decoding algorithm to DDPMs that does not require any auxiliary draft models. Our theoretical analysis shows that ASD achieves a $\tilde{O}(K^{\frac{1}{3}})$ parallel runtime speedup over the $K$ step sequential DDPM. We also demonstrate that a practical implementation of autospeculative decoding accelerates DDPM inference significantly in various domains.

Hankook Lee, Jongheon Jeong, Sejun Park, Jinwoo Shin

An energy-based model (EBM) is a popular generative framework that offers both explicit density and architectural flexibility, but training them is difficult since it is often unstable and time-consuming. In recent years, various training techniques have been developed, e.g., better divergence measures or stabilization in MCMC sampling, but there often exists a large gap between EBMs and other generative frameworks like GANs in terms of generation quality. In this paper, we propose a novel and effective framework for improving EBMs via contrastive representation learning (CRL). To be specific, we consider representations learned by contrastive methods as the true underlying latent variable. This contrastive latent variable could guide EBMs to understand the data structure better, so it can improve and accelerate EBM training significantly. To enable the joint training of EBM and CRL, we also design a new class of latent-variable EBMs for learning the joint density of data and the contrastive latent variable. Our experimental results demonstrate that our scheme achieves lower FID scores, compared to prior-art EBM methods (e.g., additionally using variational autoencoders or diffusion techniques), even with significantly faster and more memory-efficient training. We also show conditional and compositional generation abilities of our latent-variable EBMs as their additional benefits, even without explicit conditional training. The code is available at https://github.com/hankook/CLEL.

Ruiquan Huang, Jing Yang, Yingbin Liang

Reward-free reinforcement learning (RF-RL), a recently introduced RL paradigm, relies on random action-taking to explore the unknown environment without any reward feedback information. While the primary goal of the exploration phase in RF-RL is to reduce the uncertainty in the estimated model with minimum number of trajectories, in practice, the agent often needs to abide by certain safety constraint at the same time. It remains unclear how such safe exploration requirement would affect the corresponding sample complexity in order to achieve the desired optimality of the obtained policy in planning. In this work, we make a first attempt to answer this question. In particular, we consider the scenario where a safe baseline policy is known beforehand, and propose a unified Safe reWard-frEe ExploraTion (SWEET) framework. We then particularize the SWEET framework to the tabular and the low-rank MDP settings, and develop algorithms coined Tabular-SWEET and Low-rank-SWEET, respectively. Both algorithms leverage the concavity and continuity of the newly introduced truncated value functions, and are guaranteed to achieve zero constraint violation during exploration with high probability. Furthermore, both algorithms can provably find a near-optimal policy subject to any constraint in the planning phase. Remarkably, the sample complexities under both algorithms match or even outperform the state of the art in their constraint-free counterparts up to some constant factors, proving that safety constraint hardly increases the sample complexity for RF-RL.

Jiangyuan Li, Thanh V Nguyen, Chinmay Hegde, Raymond K. W. Wong

We study the implicit regularization of gradient descent towards structured sparsity via a novel neural reparameterization, which we call a diagonally grouped linear neural network. We show the following intriguing property of our reparameterization: gradient descent over the squared regression loss, without any explicit regularization, biases towards solutions with a group sparsity structure. In contrast to many existing works in understanding implicit regularization, we prove that our training trajectory cannot be simulated by mirror descent. We analyze the gradient dynamics of the corresponding regression problem in the general noise setting and obtain minimax-optimal error rates. Compared to existing bounds for implicit sparse regularization using diagonal linear networks, our analysis with the new reparameterization shows improved sample complexity. In the degenerate case of size-one groups, our approach gives rise to a new algorithm for sparse linear regression. Finally, we demonstrate the efficacy of our approach with several numerical experiments.