Dataset distillation has emerged as a technique aiming to condense informative features from large, natural datasets into a compact and synthetic form. While recent advancements have refined this technique, its performance is bottlenecked by the prevailing class-specific synthesis paradigm. Under this paradigm, synthetic data is optimized exclusively for a pre-assigned one-hot label, creating an implicit class barrier in feature condensation. This leads to inefficient utilization of the distillation budget and oversight of inter-class feature distributions, which ultimately limits the effectiveness and efficiency, as demonstrated in our analysis.To overcome these constraints, this paper presents the Inter-class Feature Compensator (INFER), an innovative distillation approach that transcends the class-specific data-label framework widely utilized in current dataset distillation methods. Specifically, INFER leverages a Universal Feature Compensator (UFC) to enhance feature integration across classes, enabling the generation of multiple additional synthetic instances from a single UFC input. This significantly improves the efficiency of the distillation budget.Moreover, INFER enriches inter-class interactions during the distillation, thereby enhancing the effectiveness and generalizability of the distilled data. By allowing for the linear interpolation of labels similar to those in the original dataset, INFER meticulously optimizes the synthetic data and dramatically reduces the size of soft labels in the synthetic dataset to almost zero, establishing a new benchmark for efficiency and effectiveness in dataset distillation. In practice, INFER demonstrates state-of-the-art performance across benchmark datasets. For instance, in the $\texttt{ipc} = 50$ setting on ImageNet-1k with the same compression level, it outperforms SRe2L by 34.5\% using ResNet18. Codes are available at https://github.com/zhangxin-xd/UFC.
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Deep Learning · Large Language Models
In this paper, we propose a new decoding method called Permute-and-Flip (PF) decoder. It enjoys stability properties similar to the standard sampling decoder, but is provably up to 2x better in its quality-stability tradeoff than sampling and never worse than any other decoder. We also design a cryptographic watermarking scheme analogous to Aaronson (2023)'s Gumbel watermark, but naturally tailored for PF decoder. The watermarking scheme does not change the distribution to sample, while allowing arbitrarily low false positive rate and high recall whenever the generated text has high entropy. Our experiments show that the PF decoder (and its watermarked counterpart) significantly outperform(s) naive sampling (and its Gumbel watermarked counterpart) in terms of perplexity, while retaining the same stability (and detectability), hence making it a promising new approach for LLM decoding. The code is available at https://github.com/XuandongZhao/pf-decoding
Offline evaluation of LLMs is crucial in understanding their capacities, though current methods remain underexplored in existing research. In this work, we focus on the offline evaluation of the chain-of-thought capabilities and show how to optimize LLMs based on the proposed evaluation method. To enable offline feedback with rich knowledge and reasoning paths, we use knowledge graphs (KGs) (e.g., Wikidata5M) to provide feedback on the generated chain of thoughts. Due to the heterogeneity between LLM reasoning and KG structures, direct interaction and feedback from knowledge graphs on LLM behavior are challenging, as they require accurate entity linking and grounding of LLM-generated chains of thought in the KG. To address the above challenge, we propose an offline chain-of-thought evaluation framework, OCEAN, which models chain-of-thought reasoning in LLMs as a Markov Decision Process (MDP), and evaluate the policy’s alignment with KG preference modeling. To overcome the reasoning heterogeneity and grounding problems, we leverage on-policy KG exploration and reinforcement learning to model a KG policy that generates token-level likelihood distributions for LLM-generated chain-of-thought reasoning paths, simulating KG reasoning preference. Then we incorporate the knowledge-graph feedback on the validity and alignment of the generated reasoning paths into inverse propensity scores and propose KG-IPS estimator. Theoretically, we prove the unbiasedness of the proposed KG-IPS estimator and provide a lower bound on its variance. With the off-policy evaluated value function, we can directly enable off-policy optimization to further enhance chain-of-thought alignment. Our empirical study shows that OCEAN can be efficiently optimized for generating chain-of-thought reasoning paths with higher estimated values without affecting LLMs’ general abilities in downstream tasks or their internal knowledge.
Miscellaneous Aspects of Machine Learning · Representation Learning
Random Projections have been widely used to generate embeddings for various graph learning tasks due to their computational efficiency. The majority of applications have been justified through the Johnson-Lindenstrauss Lemma. In this paper, we take a step further and investigate how well dot product and cosine similarity are preserved by random projections when these are applied over the rows of the graph matrix. Our analysis provides new asymptotic and finite-sample results, identifies pathological cases, and tests them with numerical experiments. We specialize our fundamental results to a ranking application by computing the probability of random projections flipping the node ordering induced by their embeddings. We find that, depending on the degree distribution, the method produces especially unreliable embeddings for the dot product, regardless of whether the adjacency or the normalized transition matrix is used. With respect to the statistical noise introduced by random projections, we show that cosine similarity produces remarkably more precise approximations.
Deep Learning · Attention Mechanisms
Transformers can under some circumstances generalize to novel problem instances whose constituent parts might have been encountered during training, but whose compositions have not.What mechanisms underlie this ability for compositional generalization?By reformulating multi-head attention as a hypernetwork, we reveal that a composable, low-dimensional latent code specifies key-query specific operations.We find empirically that this latent code is predictive of the subtasks the network performs on unseen task compositions, revealing that latent codes acquired during training are reused to solve unseen problem instances.To further examine the hypothesis that the intrinsic hypernetwork of multi-head attention supports compositional generalization, we ablate whether making the hypernetwork-generated linear value network nonlinear strengthens compositionality.We find that this modification improves compositional generalization on abstract reasoning tasks.In particular, we introduce a symbolic version of the Raven's Progressive Matrices human intelligence test, which gives us precise control over the problem compositions encountered during training and evaluation.We demonstrate on this task how scaling model size and data enables compositional generalization in transformers and gives rise to a functionally structured latent space.
The Segment Anything Model (SAM) achieves remarkable promptable segmentation given high-quality prompts which, however, often require good skills to specify. To make SAM robust to casual prompts, this paper presents the first comprehensive analysis on SAM’s segmentation stability across a diverse spectrum of prompt qualities, notably imprecise bounding boxes and insufficient points. Our key finding reveals that given such low-quality prompts, SAM’s mask decoder tends to activate image features that are biased towards the background or confined to specific object parts. To mitigate this issue, our key idea consists of calibrating solely SAM’s mask attention by adjusting the sampling locations and amplitudes of image features, while the original SAM model architecture and weights remain unchanged. Consequently, our deformable sampling plugin (DSP) enables SAM to adaptively shift attention to the prompted target regions in a data-driven manner. During inference, dynamic routing plugin (DRP) is proposed that toggles SAM between the deformable and regular grid sampling modes, conditioned on the input prompt quality. Thus, our solution, termed Stable-SAM, offers several advantages: 1) improved SAM’s segmentation stability across a wide range of prompt qualities, while 2) retaining SAM’s powerful promptable segmentation efficiency and generality, with 3) minimal learnable parameters (0.08 M) and fast adaptation. Extensive experiments validate the effectiveness and advantages of our approach, underscoring Stable-SAM as a more robust solution for segmenting anything. Codes are at https://github.com/fanq15/Stable-SAM.
Deep Learning · Graph Neural Networks
Interpretable Graph Neural Networks (GNNs) aim to reveal the underlying reasoning behind model predictions, attributing their decisions to specific subgraphs that are informative. However, existing subgraph-based interpretable methods suffer from an overemphasis on local structure, potentially overlooking long-range dependencies within the entire graphs. Although recent efforts that rely on graph coarsening have proven beneficial for global interpretability, they inevitably reduce the graphs to a fixed granularity. Such an inflexible way can only capture graph connectivity at a specific level, whereas real-world graph tasks often exhibit relationships at varying granularities (e.g., relevant interactions in proteins span from functional groups, to amino acids, and up to protein domains). In this paper, we introduce a novel Tree-like Interpretable Framework (TIF) for graph classification, where plain GNNs are transformed into hierarchical trees, with each level featuring coarsened graphs of different granularity as tree nodes. Specifically, TIF iteratively adopts a graph coarsening module to compress original graphs (i.e., root nodes of trees) into increasingly coarser ones (i.e., child nodes of trees), while preserving diversity among tree nodes within different branches through a dedicated graph perturbation module. Finally, we propose an adaptive routing module to identify the most informative root-to-leaf paths, providing not only the final prediction but also the multi-granular interpretability for the decision-making process. Extensive experiments on the graph classification benchmarks with both synthetic and real-world datasets demonstrate the superiority of TIF in interpretability, while also delivering a competitive prediction performance akin to the state-of-the-art counterparts.
Deep Learning · Self-Supervised Learning
Self-supervised learning has driven significant progress in learning from single-subject, _iconic_ images.However, there are still unanswered questions about the use of minimally-curated, naturalistic video data, which contain _dense_ scenes with many independent objects, imbalanced class distributions, and varying object sizes.In this paper, we propose PooDLe, a self-supervised learning method that combines an invariance-based objective on pooled representations with a dense SSL objective that enforces equivariance to optical flow warping.Our results show that a unified objective applied at multiple feature scales is essential for learning effective image representations from naturalistic videos.We validate our method with experiments on the BDD100K driving video dataset and the Walking Tours first-person video dataset, demonstrating its ability to capture spatial understanding from a dense objective and semantic understanding via a pooled representation objective.
Deep Learning · Generative Models and Autoencoders
Large Generative Models (LGMs) such as GPT, Stable Diffusion, Sora, and Suno are trained on a huge amount of texts, images, videos, and audio that are extremely diverse from numerous domains. This large-scale training paradigm on diverse well-curated data enhances the creativity and diversity of the generated content. However, all previous graph-generative models (e.g., GraphRNN, MDVAE, MoFlow, GDSS, and DiGress) have been trained only on one dataset each time, which cannot replicate the revolutionary success achieved by LGMs in other fields. To remedy this crucial gap, we propose a large-scale training paradigm that uses a large corpus of graphs (over 5000 graphs) from 13 domains, leading to the development of large graph generative models (LGGMs). We empirically demonstrate that the pre-trained LGGMs have superior zero-shot generative capability to existing graph generative models. Furthermore, our pre-trained LGGMs can be easily fine-tuned with graphs from target domains and demonstrate even better performance than those directly trained from scratch, behaving as a solid starting point for real-world customization. Inspired by Stable Diffusion, we further equip LGGMs with the Text-to-Graph generation capability, such as providing the description of the network name and domain (i.e., "The power-1138-bus graph represents a network of buses in a power distribution system.") and network statistics (i.e., "The graph has a low average degree, suitable for modeling social media interactions."). This Text-to-Graph capability integrates the extensive world knowledge in the underlying language model, offering users fine-grained control of the generated graphs. We release the code, the model checkpoint, and the datasets at https://github.com/KINDLab-Fly/LGGM.
Deep Learning · Generative Models and Autoencoders
Diffusion transformers have demonstrated remarkable performance in visual generation tasks, such as generating realistic images or videos based on textual instructions. However, larger model sizes and multi-frame processing for video generation lead to increased computational and memory costs, posing challenges for practical deployment on edge devices. Post-Training Quantization (PTQ) is an effective method for reducing memory costs and computational complexity.When quantizing diffusion transformers, we find that existing quantization methods face challenges when applied to text-to-image and video tasks. To address these challenges, we begin by systematically analyzing the source of quantization error and conclude with the unique challenges posed by DiT quantization. Accordingly, we design an improved quantization scheme: ViDiT-Q (**V**ideo \& **I**mage **Di**ffusion **T**ransformer **Q**uantization), tailored specifically for DiT models. We validate the effectiveness of ViDiT-Q across a variety of text-to-image and video models, achieving W8A8 and W4A8 with negligible degradation in visual quality and metrics. Additionally, we implement efficient GPU kernels to achieve practical 2-2.5x memory optimization and a 1.4-1.7x end-to-end latency speedup.
Applications · Computer Vision
We present TexTailor, a novel method for generating consistent object textures from textual descriptions. Existing text-to-texture synthesis approaches utilize depth-aware diffusion models to progressively generate images and synthesize textures across predefined multiple viewpoints. However, these approaches lead to a gradual shift in texture properties across viewpoints due to (1) insufficient integration of previously synthesized textures at each viewpoint during the diffusion process and (2) the autoregressive nature of the texture synthesis process. Moreover, the predefined selection of camera positions, which does not account for the object's geometry, limits the effective use of texture information synthesized from different viewpoints, ultimately degrading overall texture consistency. In TexTailor, we address these issues by (1) applying a resampling scheme that repeatedly integrates information from previously synthesized textures within the diffusion process, and (2) fine-tuning a depth-aware diffusion model on these resampled textures. During this process, we observed that using only a few training images restricts the model's original ability to generate high-fidelity images aligned with the conditioning, and therefore propose an performance preservation loss to mitigate this issue. Additionally, we improve the synthesis of view-consistent textures by adaptively adjusting camera positions based on the object's geometry. Experiments on a subset of the Objaverse dataset and the ShapeNet car dataset demonstrate that TexTailor outperforms state-of-the-art methods in synthesizing view-consistent textures.
Miscellaneous Aspects of Machine Learning · Everything Else
As diffusion models are deployed in real-world settings and their performance driven by training data, appraising the contribution of data contributors is crucial to creating incentives for sharing quality data and to implementing policies for data compensation. Depending on the use case, model performance corresponds to various global properties of the distribution learned by a diffusion model (e.g., overall aesthetic quality). Hence, here we address the problem of attributing global properties of diffusion models to data contributors. The Shapley value provides a principled approach to valuation by uniquely satisfying game-theoretic axioms of fairness. However, estimating Shapley values for diffusion models is computationally impractical because it requires retraining and rerunning inference on many subsets of data contributors. We introduce a method to efficiently retrain and rerun inference for Shapley value estimation, by leveraging model pruning and fine-tuning. We evaluate the utility of our method with three use cases: (i) image quality for a DDPM trained on a CIFAR dataset, (ii) demographic diversity for an LDM trained on CelebA-HQ, and (iii) aesthetic quality for a Stable Diffusion model LoRA-finetuned on Post-Impressionist artworks. Our results empirically demonstrate that our framework can identify important data contributors across global properties, outperforming existing attribution methods for diffusion models.
Deep Learning · Generative Models and Autoencoders
Diffusion Models (DM) and Consistency Models (CM) are two types of popular generative models with good generation quality on various tasks. When training DM and CM, intermediate weight checkpoints are not fully utilized and only the last converged checkpoint is used. In this work, we find proper checkpoint merging can significantly improve the training convergence and final performance. Specifically, we propose LCSC, a simple but effective and efficient method to enhance the performance of DM and CM, by combining checkpoints along the training trajectory with coefficients deduced from evolutionary search. We demonstrate the value of LCSC through two use cases: (a) Reducing training cost. With LCSC, we only need to train DM/CM with fewer number of iterations and/or lower batch sizes to obtain comparable sample quality with the fully trained model. For example, LCSC achieves considerable training speedups for CM (23$\times$ on CIFAR-10 and 15$\times$ on ImageNet-64). (b) Enhancing pre-trained models. When full training is already done, LCSC can further improve the generation quality or efficiency of the final converged models. For example, LCSC achieves better FID using 1 number of function evaluation (NFE) than the base model with 2 NFE on consistency distillation, and decreases the NFE of DM from 15 to 9 while maintaining the generation quality. Applying LCSC to large text-to-image models, we also observe clearly enhanced generation quality.
Accelerating Auto-regressive Text-to-Image Generation with Training-free Speculative Jacobi Decoding
Deep Learning · Generative Models and Autoencoders
The current large auto-regressive models can generate high-quality, high-resolution images, but these models require hundreds or even thousands of steps of next-token prediction during inference, resulting in substantial time consumption. In existing studies, Jacobi decoding, an iterative parallel decoding algorithm, has been used to accelerate the auto-regressive generation and can be executed without training. However, the Jacobi decoding relies on a deterministic criterion to determine the convergence of iterations. Thus, it works for greedy decoding but is incompatible with sampling-based decoding which is crucial for visual quality and diversity in the current auto-regressive text-to-image generation. In this paper, we propose a training-free probabilistic parallel decoding algorithm, Speculative Jacobi Decoding (SJD), to accelerate auto-regressive text-to-image generation. By introducing a probabilistic convergence criterion, our SJD accelerates the inference of auto-regressive text-to-image generation while maintaining the randomness in sampling-based token decoding and allowing the model to generate diverse images. Specifically, SJD facilitates the model to predict multiple tokens at each step and accepts tokens based on the probabilistic criterion, enabling the model to generate images with fewer steps than the conventional next-token-prediction paradigm. We also investigate the token initialization strategies that leverage the spatial locality of visual data to further improve the acceleration ratio under specific scenarios. We conduct experiments for our proposed SJD on multiple auto-regressive text-to-image generation models, showing the effectiveness of model acceleration without sacrificing the visual quality. The code of our work is available here: https://github.com/tyshiwo1/Accelerating-T2I-AR-with-SJD/.
Deep Learning · Generative Models and Autoencoders
Autoregressive (AR) models have recently achieved state-of-the-art performance in text and image generation. However, their primary limitation is slow generation speed due to the token-by-token process. We ask an ambitious question: can a pre-trained AR model be adapted to generate outputs in just one or two steps? If successful, this would significantly advance the development and deployment of AR models. We notice that existing works that attempt to speed up AR generation by generating multiple tokens at once fundamentally cannot capture the output distribution due to the conditional dependencies between tokens, limiting their effectiveness for few-step generation. To overcome this, we propose Distilled Decoding (DD), which leverages flow matching to create a deterministic mapping from Gaussian distribution to the output distribution of the pre-trained AR model. We then train a network to distill this mapping, enabling few-step generation. The entire training process of DD does not need the training data of the original AR model (as opposed to some other methods), thus making DD more practical. We evaluate DD on state-of-the-art image AR models and present promising results. For VAR, which requires 10-step generation (680 tokens), DD enables one-step generation (6.3$\times$ speed-up), with an acceptable increase in FID from 4.19 to 9.96. Similarly, for LlamaGen, DD reduces generation from 256 steps to 1, achieving an 217.8$\times$ speed-up with a comparable FID increase from 4.11 to 11.35. In both cases, baseline methods completely fail with FID scores $>$100. As the first work to demonstrate the possibility of one-step generation for image AR models, DD challenges the prevailing notion that AR models are inherently slow, and opens up new opportunities for efficient AR generation. The code and the pre-trained models will be released at https://github.com/imagination-research/distilled-decoding. The project website is at https://imagination-research.github.io/distilled-decoding.
Social Aspects · Accountability, Transparency and Interpretability
Current techniques for privacy auditing of large language models (LLMs) have limited efficacy---they rely on basic approaches to generate canaries which leads to weak membership inference attacks that in turn give loose lower bounds on the empirical privacy leakage.We develop canaries that are far more effective than those used in prior work under threat models that cover a range of realistic settings. We demonstrate through extensive experiments on multiple families of fine-tuned LLMs that our approach sets a new standard for detection of privacy leakage. For measuring the memorization rate of non-privately trained LLMs, our designed canaries surpass prior approaches. For example, on the Qwen2.5-0.5B model, our designed canaries achieve $49.6\%$ TPR at $1\%$ FPR, vastly surpassing the prior approach's $4.2\%$ TPR at $1\%$ FPR. Our method can be used to provide a privacy audit of $\varepsilon \approx 1$ for a model trained with theoretical $\varepsilon$ of 4. To the best of our knowledge, this is the first time that a privacy audit of LLM training has achieved nontrivial auditing success in the setting where the attacker cannot train shadow models, insert gradient canaries, or access the model at every iteration.
Applications · Neuroscience, Cognitive Science
In the primate neocortex, neurons with similar function are often found to be spatially close. Kohonen's self-organizing map (SOM) has been one of the most influential approaches for simulating brain-like topographical organization in artificial neural network models. However, integrating these maps into deep neural networks with multitude of layers has been challenging, with self-organized deep neural networks suffering from substantially diminished capacity to perform visual recognition. We identified a key factor leading to the performance degradation in self-organized topographical neural network models: the discord between predominantly bottom-up learning updates in the self-organizing maps, and those derived from top-down, credit-based learning approaches. To address this, we propose an alternative self organization algorithm, tailored to align with the top-down learning processes in deep neural networks. This model not only emulates critical aspects of cortical topography but also significantly narrows the performance gap between non-topographical and topographical models. This advancement underscores the substantial importance of top-down assigned credits in shaping topographical organization. Our findings are a step in reconciling topographical modeling with the functional efficacy of neural network models, paving the way for more brain-like neural architectures.
Probabilistic Methods · Gaussian Processes
Neal (1996) proved that infinitely wide shallow Bayesian neural networks (BNN) converge to Gaussian processes (GP), when the network weights have bounded prior variance. Cho & Saul (2009) provided a useful recursive formula for deep kernel processes for relating the covariance kernel of each layer to the layer immediately below. Moreover, they worked out the form of the layer-wise covariance kernel in an explicit manner for several common activation functions, including the ReLU. Subsequent works have made the connection between these two works, and provided useful results on the covariance kernel of a deep GP arising as wide limits of various deep Bayesian network architectures. However, recent works, including Aitchison et al. (2021), have highlighted that the covariance kernels obtained in this manner are deterministic and hence, precludes any possibility of representation learning, which amounts to learning a non-degenerate posterior of a random kernel given the data. To address this, they propose adding artificial noise to the kernel to retain stochasticity, and develop deep kernel Wishart and inverse Wishart processes. Nonetheless, this artificial noise injection could be critiqued in that it would not naturally emerge in a classic BNN architecture under an infinite-width limit. To address this, we show that a Bayesian deep neural network, where each layer width approaches infinity, and all network weights are elliptically distributed with infinite variance, converges to a process with $\alpha$-stable marginals in each layer that has a conditionally Gaussian representation. These conditional random covariance kernels could be recursively linked in the manner of Cho & Saul (2009), even though marginally the process exhibits stable behavior, and hence covariances are not even necessarily defined. We also provide useful generalizations of the recent results of Loría & Bhadra (2024) on shallow networks to multi-layer networks, and remedy the prohibitive computational burden of their approach. The computational and statistical benefits over competing approaches stand out in simulations and in demonstrations on benchmark data sets.
Deep Learning · Generative Models and Autoencoders
Diffusion-based generative models provide a powerful framework for learning to sample from a complex target distribution. The remarkable empirical success of these models applied to high-dimensional signals, including images and video, stands in stark contrast to classical results highlighting the curse of dimensionality for distribution recovery. In this work, we take a step towards understanding this gap through a careful analysis of learning diffusion models over the Barron space of single hidden layer neural networks. In particular, we show that these shallow models provably adapt to simple forms of low-dimensional structure, such as an unknown linear subspace or hidden independence, thereby avoiding the curse of dimensionality. We combine our results with recent analyses of sampling with diffusions to provide an end-to-end sample complexity bound for learning to sample from structured distributions. Importantly, our results do not require specialized architectures tailored to particular latent structures, and instead rely on the low-index structure of the Barron space to adapt to the underlying distribution.
Deep Learning · Large Language Models
Parameter-efficient fine-tuning (PEFT) has revolutionized supervised fine-tuning, where LoRA and its variants gain the most popularity due to their low training costs and zero inference latency.However, LoRA tuning not only injects knowledgeable features but also noisy hallucination during fine-tuning, which hinders the utilization of tunable parameters with the increasing LoRA rank.In this work, we first investigate in-depth the redundancies among LoRA parameters with substantial empirical studies.Aiming to resemble the learning capacity of high ranks from the findings, we set up a new fine-tuning framework, \textbf{P}arameter-\textbf{Re}dundant \textbf{F}ine-\textbf{T}uning (\preft), which follows the vanilla LoRA tuning process but is required to reduce redundancies before merging LoRA parameters back to pre-trained models.Based on this framework, we propose \textbf{No}ise reduction with \textbf{R}eserved \textbf{M}ajority~(\norm), which decomposes the LoRA parameters into majority parts and redundant parts with random singular value decomposition.The major components are determined by the proposed \search method, specifically employing subspace similarity to confirm the parameter groups that share the highest similarity with the base weight.By employing \norm, we enhance both the learning capacity and benefits from larger ranks, which consistently outperforms both LoRA and other \preft-based methods on various downstream tasks, such as general instruction tuning, math reasoning and code generation. Code is available at \url{https://github.com/pixas/NoRM}.