# distributionaware_data_expansion_with_diffusion_models__2cd0ca59.pdf Distribution-Aware Data Expansion with Diffusion Models Haowei Zhu1, Ling Yang 2 , Jun-Hai Yong1 , Hongzhi Yin3, Jiawei Jiang4, Meng Xiao5, Wentao Zhang 2, Bin Wang 1 1Tsinghua University 2Peking University 3University of Queensland 4 Wuhan University 5 CNIC, CAS wentao.zhang@pku.edu.cn wangbins@tsinghua.edu.cn The scale and quality of a dataset significantly impact the performance of deep models. However, acquiring large-scale annotated datasets is both a costly and timeconsuming endeavor. To address this challenge, dataset expansion technologies aim to automatically augment datasets, unlocking the full potential of deep models. Current data expansion techniques include image transformation and image synthesis methods. Transformation-based methods introduce only local variations, leading to limited diversity. In contrast, synthesis-based methods generate entirely new content, greatly enhancing informativeness. However, existing synthesis methods carry the risk of distribution deviations, potentially degrading model performance with out-of-distribution samples. In this paper, we propose Dist Diff, a training-free data expansion framework based on the distribution-aware diffusion model. Dist Diff constructs hierarchical prototypes to approximate the real data distribution, optimizing latent data points within diffusion models with hierarchical energy guidance. We demonstrate its capability to generate distribution-consistent samples, significantly improving data expansion tasks. Dist Diff consistently enhances accuracy across a diverse range of datasets compared to models trained solely on original data. Furthermore, our approach consistently outperforms existing synthesis-based techniques and demonstrates compatibility with widely adopted transformation-based augmentation methods. Additionally, the expanded dataset exhibits robustness across various architectural frameworks. Our code is available at https://github.com/haoweiz23/Dist Diff. 1 Introduction A substantial number of training samples are essential for unlocking the full potential of deep networks. However, the manual collection and labeling of large-scale datasets are both costly and time-intensive. This makes it difficult to expand data-scarce datasets. Therefore, it is of great value to study how to expand high-quality training data in an efficient and scalable way [6]. Automatic data expansion technology can alleviate the data scarcity problem by augmenting or creating diverse samples, it mitigates the bottleneck associated with limited data, thereby improving model s downstream performance and fostering greater generalization [14, 78]. One simple yet effective strategy is employing image transformation techniques such as cropping, rotation, and erasing to augment samples [59]. Although these methods prove effective and have been widely applied in various fields, their pre-defined perturbations only introduce local variations to the images, thereby falling short in providing a diverse range of content change. In recent Equal Contribution. Corresponding author. 38th Conference on Neural Information Processing Systems (Neur IPS 2024). times, generative models have gained considerable attention [18, 44, 47, 50, 54, 45], exhibit impressive performance in various areas like image inpainting [36, 53], super-resolution [26, 55], and video generation [25, 41]. Generative models leverage text and image conditions to create images with entirely novel content, harnessing the expansive potential of data expansion [13]. Nevertheless, there is a risk of generating images that deviate from the real data distribution. (a) Conventional Expansion Methods 饾懅0 optimization or filtration (b) Dist Diff 饾憹饾憪 Energy Guidance transformed Figure 1: A comparison unveils distinctions between conventional data expansion methods and our innovative distribution-aware diffusion framework, benefiting from hierarchical clustering and multi-step energy guidance. Therefore, when employing diffusion models for dataset expansion tasks, further research is necessary to ensure a match between synthetic data distributions and real data distributions. There are several strategies aimed at mitigating the risk of distribution shift, which can be broadly categorized into two groups: trainingbased and training-free methods. The trainingbased methods [42, 52, 65] fine-tune pre-trained diffusion models to adapt target dataset, necessitating additional training costs and increasing the likelihood of overfitting on small-scale datasets. Other training-free methods [17, 22] eliminate potentially noisy samples by designing optimizing and filtering strategies, but they still struggle to generate data that conforms to the real data distribution. In this work, we propose a training-free data expansion framework, dubbed Distribution-Aware Diffusion (Dist Diff) to optimize generation results. As shown in Figure 1, Dist Diff initially approximates the true data distribution using class-level and group-level prototypes obtained through hierarchical clustering. Subsequently, Dist Diff utilizes these prototypes to formulate two synergistic energy functions. A residual multiplicative transformation is then applied to the latent data points, enabling the generation of data distinct from the original. Following this, the hierarchical energy guidance process refines intermediate predicted data points, optimizing the diffusion model to generate data samples that are consistent with the underlying distribution. Dist Diff ensures fidelity and diversity in the generated samples through distributionaware energy guidance. Experimental results demonstrate that Dist Diff outperforms advanced data expansion techniques, producing better expansion effects and significantly improving downstream model performance. Our contributions can be summarized as follows: We introduce a novel diffusion-based data expansion algorithm, named Dist Diff, which facilitates distribution-consistent data augmentation without requiring re-training. By leveraging hierarchical prototypes to approximate data distribution, we propose an effective distribution-aware energy guidance at both class and group levels in the diffusion sampling process. The experimental results illustrate that our Dist Diff is capable of generating high-quality samples, surpassing existing image transformation and synthesis methods significantly. 2 Related Work 2.1 Transformation-Based Data Augmentation Traditional data augmentation techniques [5, 10, 23, 74, 76, 81, 82] typically involve expanding the dataset through distortive transformations, aiming to enhance the model s ability to capture data invariance and mitigate overfitting [59]. For instance, scale invariance is cultivated through random cropping and scaling, while rotation invariance is developed through random rotation and flipping. Region mask-based methods [5, 12, 82] enhance model robustness against target occlusion by strategically obscuring portions of the target area. Interpolation-based methods [23, 74, 76] generate virtual samples by randomly blending content from two images. Rand Augment [10] further boosts augmentation effectiveness by sampling from a diverse range of augmentation strategies. However, these methods induce only subtle changes on the original data through transformation, deletion, and blending, leading to a lack of diversity. Moreover, they are predefined and uniformly applied across the entire dataset, which may not be optimal for varying data types or scenarios. Image Encoder Hierarchical Prototype Approximation Transform 饾懅饾憽 Guidance Optimization step within diffusion (a) Real Distribution Approximation (b) Distribution-Aware Sampling Process Hierarchical Prototype Approximation Distribution-Aware Energy Guidance 饾憭,饾憦(饾懅0|饾憽, 饾憹饾憪,饾憹饾憯) 饾懅饾憽 (1+e)饾懅饾憽+b Sampling Optimization Figure 2: Overview of the Dist Diff pipeline. Dist Diff enhances the generation process in diffusion models with distribution-aware optimization. It approximates the real data distribution using hierarchical prototypes pc and pg, optimizing the sampling process through distribution-aware energy guidance. Subsequently, original generated data point zt is refined for improved alignment with the real distribution. 2.2 Synthesis-Based Data Augmentation Generative data augmentation aims to leverage generative models to approximate the real data distribution, generating samples with novel content to enhance data diversity. GAN [18] excels at learning data distributions and producing unseen samples in an unsupervised manner [1, 20, 33, 39, 79, 80, 67]. While their efficacy has been demonstrated across diverse downstream tasks, studies indicate that training existing models like Res Net50 [21] on images synthesized by Big GAN [4] yields subpar results compared to training on real images. This disparity in performance can be attributed to the limited diversity and potential domain gap between synthesized samples and real images. Additionally, the training processes of GAN are notoriously unstable, particularly with a low-data regime, and suffer from mode collapse, resulting in a lack of diversity [3, 19, 48]. In contrast, diffusion model-based methods [69] can offer better controllability and superior customization capabilities. Text-to-image models such as Stable Diffusion [50], DALL-E 2 [47] and RPG [71] have demonstrated the creation of compelling high-resolution images [70, 72, 77]. Recently, large-scale text-to-image models have been used for data generation [2, 15, 35, 58, 64, 63]. For example, LECF [22] utilized GLIDE [44] to generate images, filtering low-confidence samples to enhance zero-shot and few-shot image classification performance. SGID [32] leverages image descriptions generated by BLIP [34] to enhance the semantic consistency of generated samples. Feng et al. [17] filters out low-quality samples based on feature similarity between generated and reference images. GIF [78] creates new informative samples through prediction entropy and feature divergence optimization. However, it s crucial to note that datasets generated by existing methods may exhibit distribution shifts, impacting image classification performance significantly. Zhou et al. [83] address this issue by employing diffusion inversion to mitigate distributional shifts. In contrast, we propose a training-free approach, leveraging hierarchical prototypes as optimization targets to guide the generation process, thereby addressing distributional shifts. This approach offers the advantage of avoiding additional computational costs and overfitting issues associated with fine-tuning diffusion models. In this study, we introduce a distribution-aware data expansion framework utilizing Stable Diffusion as a prior generation model. This framework guides the diffusion model based on hierarchical prototype guidance criteria. As illustrated in Figure 2, our Dist Diff initially employs an image encoder 胃 to extract instance features and subsequently derives hierarchical prototypes to approximate the real data distribution. Next, for a given seed image and corresponding text prompts, we extract image s latent feature and apply stochastic noise to it. Subsequently, in the denoising process, we optimize the latent features using a training-free hierarchical energy guidance process. Our optimization strategy ensures that the generated samples not only match the distribution but also carry new information to enhance model training. 3.1 Task Definition In the context of a small-scale training dataset, the data expansion task is designed to augment the original dataset Do = {xi, yi}no i=1 with a new set of synthetic samples, referred to as Ds = {x i, y i}ns i=1. Here xi and yi represent the sample and its corresponding label, where no and ns respectively denote the original sample quantity and the synthetic sample quantity. The objective is to enhance the performance of a deep learning model trained on both the original dataset Do and the expanded dataset Ds compared to a model trained solely on the original Do. The crucial aspect lies in ensuring that the generated dataset is highly consistent with the distribution of the original dataset while being as informative as possible. 3.2 Hierarchical Prototypes Approximate Data Distribution Prototypes have been widely employed in class incremental learning methods to retain information about each class [40, 49]. In this work, we propose two levels of prototypes to capture the original data distribution. Firstly, the class-level prototypes pc are obtained by averaging feature vectors within the same class. The class vector aggregates high-level statistical information to characterize all samples from the same class as a collective entity. However, as class-level prototypes represent the class feature space as a single vector, potentially reducing informativeness, we further introduce group-level prototypes to capture the structure of the class feature space. Specifically, we divide all samples from the same class into K groups using agglomerative hierarchical clustering, followed by averaging feature vectors within each group to obtain K group prototypes pg = {p1 g, p2 g, ..., p K g }. Instances with similar patterns are grouped together. Transitioning from class-level to group-level, the prototypes encapsulate abstract distribution information of the class at different scales. Thanks to these hierarchical prototypes, we design two function Dc 胃 and Dg 胃 to evaluate the degree of distribution matching: Dc 胃(x, pc) = 胃(x) pc 2, (1) Dg 胃(x, pg) = 胃(x) pj g 2, s.t.j = arg max(cos(胃(x), {pj g}K j=1)), (2) where 胃( ) means feature extractor, which could be Res Net [21], CLIP [46] or other deep models. Note that these two functions evaluate the score of distribution matching from two perspectives. The value will be lower when x is more consistent with the real distribution. As shown in Figure 2 (a), Dc 胃 gauges the distance of sample features to the class center, resulting in low scores for easy samples while high scores for hard samples that are situated at the boundaries of the distribution. On the other hand, Dg 胃 assesses distance from the group-level, offering lower scores for hard samples, while still maintaining relatively high scores for outlier samples. Consequently, these two scores mutually reinforce each other and are indispensable. 3.3 Transform Data Points Given a reference sample (x, y), the pre-trained large-scale diffusion model G can generate new samples x with novel content. We formalize this process as x = G(桅(x) + 未), where 桅(x) represents the latent feature representation and 未 is the perturbation applied to latent features. Drawing inspiration from GIF [78], we introduce residual multiplicative transformation to the latent feature z = 桅(x) using randomly initialized channel-level noise e U(0, 1) and b N(0, 1). We impose an 系-ball constraint on the transformed feature to control the degree of adjustment within a reasonable range, i.e., z z 系, and derive z as follows. z = Pz,系(蟿(z)) = Pz,系((1 + e)z + b), (3) where 蟿( ) represents the transformation function and Pz,系( ) denotes the projection of the transformed feature z onto the 系-ball of the original latent feature z. Now, the key challenge lies in optimizing e and b to create new samples that align closely with the real data distribution. Another intuitive approach is to directly optimize latent features instead of performing residual multiplication transformations. However, directly optimizing latent features leads to minimal perturbations, making it challenging to achieve performance gains. We discuss this alternative approach in Section 4.4. 3.4 Distribution-Aware Diffusion Generation In a typical diffusion sampling process, the model iteratively predicts noise to progressively map the noisy z T into clean z0. While existing data expansion methods [17, 22, 32] treat the generative model as a black box, focusing on filtering or optimizing the final generated z0. The importance of the intermediate sampling stage is ignored, which plays a crucial role in ensuring data quality, especially as the image begins to take on a stable shape appearance. Diverging from prior approaches, we advocate for intervention at the intermediate denoising step for optimization. Specifically, we first introduce energy guidance into standard reverse sampling process to optimize the transformation using Equation 4. As our energy guidance step is applied to the transformed data point, the transformed data point zt is denoted as zt for simplicity. e = e 蟻 e蔚(zt, c), b = b 蟻 b蔚(zt, c), (4) where 蟻 is the learning rate and 蔚(zt, c) is the energy function measuring the compatibility between the transformed noisy data point zt and the given condition c, representing the real data distribution in this work. Equation 4 guides the sampling process and generates distribution-consistent samples. After that, the optimized z t is obtained via Equation 3. However, directly measuring the distance between intermediate results zt with condition c is impractical due to the difficulty in finding a pre-trained network that provides meaningful guidance when the input is noisy. To address this issue, we leverage the capability that the diffusion model can predict the noise added to zt, and thus predict a clean data point z0|t, as shown in Equation 5. Then, the new energy function D胃(z0|t, c) based on the predicted clean data point is constructed to approximate 蔚(zt, c). z0|t = zt 1 伪t蠄(zt, t) 伪t , (5) where 伪t represents the noise scale and 蠄 is the learned denoising network. Finally, we employ hierarchical prototypes pc and pg as conditions to construct our energy guidance in the following manner: e = e 蟻 e(Dc 胃(z0|t, pc) + Dg 胃(z0|t, pg)), b = b 蟻 b(Dc 胃(z0|t, pc) + Dg 胃(z0|t, pg)). (6) Unlike existing methods that exclusively optimize the final sampling result z0, our approach focuses on optimizing intermediate denoising steps within the sampling process. The detailed algorithm is shown in Appendix C. This novel strategy leads to substantial improvements in optimization results and will be further explored in Section 4.4. 4 Experiments 4.1 Experimental Setups Datasets We assess the performance of Dist Diff across six image classification datasets, encompassing diverse tasks such as general object classification (Caltech-101 [16], CIFAR100-Subset [31], Image Nette [27]), fine-grained classification (Cars [30]), textual classification (DTD [8]) and medical imaging (Path MNIST [68]). More details are provided in Appendix B.1. Compared Methods We conduct a comparative analysis between Dist Diff and conventional image transformation methods, as well as diffusion-based expansion methods. Traditional image transformation techniques considered in the comparison comprise Auto Augment [9], Rand Augment [10], Random Erasing [82], Grid Mask [5], and interpolation-based techniques like Mix Up [76] and Cut Mix [74]. For generative-based methods, we include the direct application of stable diffusion for data expansion, as well as the most recent state-of-the-art method, Stable Diffusion 1.4 [50], LECF [22], GIF-SD [78]. The implementation details of these techniques are provided in Appendix B.3 and B.4. 4.2 Implementation Details In our experimental setup, we implement Dist Diff based on Stable Diffusion 1.4 [50]. The images created by Stable Diffusion have a resolution of 512 512 for all datasets. Throughout the diffusion process, we employ the DDIM [60] sampler for a 50-step latent diffusion, with hyper-parameters for noise strength set at 0.5 and classifier free guidance scale at 7.5. The 系 in Equation 3 is 0.2 by default. We use a Res Net-50 [21] model trained from scratch on the original datasets as our guidance model. We assign K = 3 to each class when constructing group-level prototypes, the learning rate 蟻 is 10.0, and optimization step M is set to 20 unless specified otherwise. After expansion, we concatenate the original dataset with synthetic data to create expanded datasets. We then train the classification model from random initialization for 100 epochs using these expanded datasets. During model training, we process images through random cropping to 224 224 using random rotation and random horizontal flips. Our optimization strategy involves using the SGD optimizer with a momentum of 0.9, and cosine decay with an initial learning rate of 0.1. All results are averaged over three runs with different random seeds. More implementation details can be found in the Appendix B.2. 4.3 Main Results Caltech-101 Cifar100-Subset Figure 3: Our method outperforms state-of-the-art data expansion methods when trained on expanded datasets, underscoring the importance of a high-quality generator in training a classifier. Comparison with Synthesis-Based Methods To investigate the effectiveness of methods for generating high-quality datasets for downstream classification model training, we initially compare our method, Dist Diff, with existing synthesis-based methods on Caltech-101in terms of classification performance. Figure 3 highlights the superiority of our method over state-of-the-art techniques. Compared to the original stable diffusion, Dist Diff exhibits an average improvement of 6.25%, illustrating that our method retains more distribution-aligned information from the original datasets. Additionally, GIF-SD [78], which uses a pre-trained CLIP [46] model to enhance class-maintained information and employs KL-divergence to encourage batch-wise sample diversity, is also surpassed by our method by 5.46% in accuracy. This can be attributed to Dist Diff guiding the generation process from the distribution level with hierarchical prototypes, providing better optimization signals. We also evaluated Dist Diff against LECF [22], which enhances language prompts and filters samples with low confidence. We use LE enhanced to synthesize 5 synthetic datasets and filter with different thresholds. We assessed multiple Clip Filtering strengths in LECF and found that LECF did not achieve better performance compared to the original Stable Diffusion. This is due to our SD baseline already generates high-quality samples, and the additional filtering post-process may lead to data loss. Besides, both LECF and GIF-SD use auxiliary models to filter/guide the diffusion generation results. However, there are two main strengths of our Dist Diff compared to these methods. First, Dist Diff generates images end-to-end without requiring filter-based postprocessing. Second, our method is not sensitive to the classification performance of the auxiliary model, which is proved in the Appendix D.2. This suggests that Dist Diff is simpler and more generalizable for data expansion tasks. Comparison with Transformation-Based Augmentation Methods In Table 1, we present a comparison of our methods with widely adopted data augmentation techniques for Caltech-101image classification. Our Dist Diff method surpasses transformation-based augmentation methods by introducing a broader range of new content into images. Additionally, we demonstrate the compatibility of our approach with transformation-based data augmentation methods, leading to further improvements. Scaling in Number of Data We evaluate the scalability of our approach by assessing its advantages in classification model training across four datasets. We compare the performance of Dist Diff with the original real dataset and strong augmentation method Auto Aug [9] with varying numbers of Table 1: Comparison of transformation-based augmentation methods on Caltech-101. Our approach, combined with default augmentation (crop, flip, and rotate), consistently outperforms existing advanced transform-based methods and can be further improved by combining these techniques. Default Auto Aug Rand Aug Random Erasing Grid Mask Mix Up Cut Mix Original 66.71 74.34 74.07 74.22 73.88 78.64 70.13 Dist Diff 83.38 82.93 83.21 83.05 83.48 81.06 85.27 10k 20k 30k 40k 50k 60k Number of Generated Samples Test Accuracy (%) Caltech-101 Original Auto Aug Stable Diffusion Dist Diff 10k 15k 20k 25k 30k 35k 40k 45k 50k Number of Generated Samples Test Accuracy (%) CIFAR100-Subset Original Auto Aug Stable Diffusion Dist Diff 10k 15k 20k 25k 30k 35k 40k Number of Generated Samples Test Accuracy (%) Stanford Cars Original Auto Aug Stable Diffusion Dist Diff 4k 6k 8k 10k 12k 14k 16k 18k Number of Generated Samples Test Accuracy (%) Original Auto Aug Stable Diffusion Dist Diff Figure 4: Performance comparison across different scale data sizes. Our method demonstrates significant improvements in classification model performance in both low-data and large-scale data scenarios, outperforming the transformation method Auto Aug and the synthesized method Stable Diffusion 1.4. generated examples, as depicted in Figure 4. As the data expansion scale increases, the corresponding improvement in accuracy also enlarges. The accuracy on Caltech-101achieved with our 5 expansion surpasses even the 20 expanded dataset obtained by Auto Aug and diffusion baseline. This indicates that Dist Diff exhibits superior efficiency in data expansion compared to existing methods. Versatility to Various Architectures We conduct an in-depth assessment of the expanded datasets generated by Dist Diffacross four distinct backbones: Res Net-50 [21], Res Ne Xt-50 [66], Wide Res Net50 [75], and Mobile Netv2 [56]. These backbones are trained from scratch on 5 expanded Caltech-101dataset by Dist Diff. The results presented in Table 3 affirm that our innovative methodology is effective and versatile across a spectrum of architectures. Comparison with Stronger Classification Models As we know, data expansion is typically applied in scenarios with data scarcity. However, if we use models pre-trained on large-scale datasets, the performance on the original training set can be significantly enhanced. In such cases, does our expanded dataset still offer improvements? To validate our method, we fine-tuned a Res Net-50 model pre-trained on Image Net-1k [11] for Image Nette, Caltech-101, and Stanford Cars, and a LAION [57] pre-trained CLIP-Vi T-B32 [6] model for Path MNIST. As shown in Table 2, the model achieved a high accuracy of 99.4% on Image Nette, which is a subset of its pretrained datasets. Further data expansion resulted in a slight decrease in performance. Similarly, on the general image dataset Caltech-101, which shares significant overlap with Image Net data, our method demonstrated only slight improvement. However, on the more challenging fine-grained dataset Stanford Cars, our method demonstrated obvious 3.56% accuracy improvement. For the medical image dataset Path MNIST, which exhibits a significantly different distribution, using Dist Diff for data expansion effectively boosted classification performance by 5.18%. This highlights the importance of scaling up data when transferring pre-trained models to downstream tasks that exhibit significant distribution shifts. Table 2: Comparison of using stronger pre-trained baseline models. On Image Nette [28] , Caltech-101 [16], and Stanford Cars [30] datasets, we employ an Image Net-1k [11] pre-trained Res Net-50 [21] model. For the Path MNIST [68] dataset, we fine-tune using the stronger CLIP-Vi T-B/32 baseline. Dataset Image Nette Caltech-101 Stanford Cars Path MNIST Original 99.40 96.87 87.61 84.29 Expanded 5 by SD 98.51 ( 0.89) 96.91 (+0.04) 90.19 (+2.58) 86.81 (+2.52) Expanded 5 by Dist Diff 99.30 ( 0.10) 97.00 (+0.13) 91.17 (+3.56) 89.47 (+5.18) Qualitative Analysis In addition to the quantitative experiment results, we also gain a more intuitive understanding of the diverse changes facilitated by our method through visualization of the generated results. As shown in Figure 5, the images generated using our distribution-aware guidance approach exhibit high fidelity and diverse synthetic changes, including object texture, background, and color contrast. More visualization results can be found in Appendix D.3. Original Original Visualization of the proposed method Visualization of the proposed method Figure 5: The visualization of synthetic samples generated by our method, showcasing high fidelity, diversity, and alignment with the original data distribution. 4.4 Ablation Study Hierarchical Prototypes We delved further into how each component of Dist Diff impacts its data expansion performance. As depicted in Table 4, utilizing both pc and pg contributes to enhancing the model s expansion performance, showcasing their ability to optimize the generated sample distribution at the class-level and group-level, respectively. Moreover, combining pc and pg results in a further performance improvement, validating the effectiveness of integrating representations from different hierarchical levels. Additionally, with the introduction of our approach, the Fr茅chet Inception Distance (FID) values notably decrease, indicating that our proposed FID effectively optimizes the model to generate samples more aligned with the real distribution, thereby reducing the domain gap between the generated dataset and the real dataset. Table 3: Performance comparison of models trained on original Caltech-101 datasets and 5x expanded datasets by Dist Diff. Backbone Original Dist Diff Res Net-50 [21] 66.71 83.09 Res Ne Xt-50 [66] 67.60 83.75 Wide Res Net-50 [75] 66.51 83.51 Mobile Net V2 [56] 74.39 83.85 Table 4: Comparison of accuracy and FID in expanding Caltech-101 by 5 , with and without hierarchical prototypes in Dist Diff. pc pg Accuracy FID-3K 76.57 0.35 72.56 82.70 0.07 68.82 82.84 0.54 68.66 83.09 0.11 67.72 Augmentation within Diffusion In the application of energy guidance, perturbation is introduced at the M-th step, and these subsequent predicted data points are optimized. Theoretically, optimizing predictions at different stages yields distinct effects. Our exploration focused on the optimization step M, and the experimental results are illustrated in Table 5. When M is small, indicating optimization at a later stage (i.e., the refinement stage), the change in generated results is already minimal, resulting in relatively consistent optimization outcomes. Conversely, when M increases, corresponding to optimization at an intermediate stage (i.e., the semantic stage), the generated results are in the stage of forming semantics and exhibit significant changes. Hence, this stage plays a crucial role in determining the final generated results. Furthermore, there is a decline in performance during the early chaos stage (M=25), as the data points in this initial phase are too chaotic to establish an optimal target for optimization. We observed that achieving higher data expansion performance is possible when optimized in the semantic stage, with optimal results obtained when M=20. Table 5: Comparison of optimization in different phases. 1 81.54 0.32 10 82.21 0.22 20 82.36 0.05 25 82.11 0.55 Table 6: Ablation of the number K of pg in Dist Diff. 2 82.69 0.51 3 83.09 0.11 4 83.08 0.13 5 83.08 0.21 Table 7: Results of introducing more optimization steps. Step Accuracy 1 82.54 0.54 2 82.94 0.43 3 82.77 0.19 4 82.55 0.30 More Optimization Steps Furthermore, a natural idea arises regarding the potential improvement in effectiveness through the optimization of more optimization steps. Therefore, we further explored increasing the number of steps in the semantic stages. As shown in Table 7, increasing the number of optimization steps in semantic stages enhances performance. However, further increases in optimization steps lead to a decline in performance. This can be attributed to excessive optimization strength in energy guidance, which causes data distortion. Compared with Direct Guidance on Latent Point We evaluate our transform guidance strategy against an alternative strategy that directly guides the latent data points while ignoring the residual transform preprocess, a method found useful in previous works [24, 73]. We initially conducted a grid search for this alternative strategy to find the optimal learning rate, 蟻 (i.e., [0.1, 1, 10, 20]), and guide step, M (i.e., [1, 10, 20]). We found the best result of 76.77% was achieved with 蟻 = 10 and M = 10, which is only slightly better than the original Stable Diffusion but lags behind our Dist Diff, which achieved 83.19%. This indicates that applying the residual multiplicative transformation to the latent feature offers more optimization potential. Determination of Group-Level Prototype Number K The determination of the number K of group-level prototypes is crucial for accurately approximating the real data distribution. In Table 6, we compare the outcomes associated with varying numbers of prototypes. The results highlight that the optimal number of prototypes is found at K = 3. We posit that an insufficient number of prototypes may impede the characterization of the real distribution, leading to diminished performance. Conversely, an excessive number of prototypes may lead to overfitting of noisy sample points, also resulting in suboptimal performance. Furthermore, we present a visualization analysis of group-level prototypes in Figure 6. The visual representation demonstrates that an appropriate number of group-level prototypes can effectively cover the real distribution space, aligning with the underlying motivation of our Dist Diff. (a) K = 1 (b) K = 2 (c) K = 3 (d) K = 4 Figure 6: The visualization of group-level prototypes alongside original sample features. Here is the sample point and is group-level prototype. By selecting an appropriate number K, these prototypes effectively span the feature space, providing an approximation of the real data distribution. Computational Efficiency Our Dist Diff is not only training-free but also highly efficient in processing. As illustrated in Figure 2, Dist Diff introduces only a few optimization steps in the original diffusion process. We analyze the time costs of our methods. Stable Diffusion generates per sample in 12.65 seconds on average, while our Dist Diff achieves the same in 13.13 seconds, with the increased time costs being negligible. We can conclude that Dist Diff achieves a notable improvement over stable diffusion models, with only a slight increase in computation costs. 5 Conclusion This paper presents Dist Diff, a distribution-aware data expansion method employing a stable diffusion model for data expansion. The proposed method optimizes the diffusion process to align the synthesized data distribution with the real data distribution. Specifically, Dist Diff constructs hierarchical prototypes to effectively represent the real data distribution and refines intermediate features within the sampling process using energy guidance. We evaluate our method through extensive experiments on six datasets, showcasing its superior performance over existing methods. 6 Acknowledgments This work was supported by the National Natural Science Foundation of China under Grant 62072271. [1] Antreas Antoniou, Amos Storkey, and Harrison Edwards. 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Additionally, our method requires an extra guide model, increasing development costs. Integrating a fast sampler [37] and lightweight guide model represents a promising direction for maximizing the effectiveness of diffusion-based data expansion methods in classifier training. Societal Impacts Generative models [47, 50] can significantly reduce the costs associated with manual data collection and annotation. Our approach builds an efficient method that enhances the distributional consistency of these generative models for downstream tasks without requiring training, thereby improving performance on downstream classifiers. This capability can assist organizations and researchers with limited data resources in developing more effective machine learning models. However, since generative models are pre-trained on vast, diverse vision-language datasets from the internet, these data may contain social biases and stereotypes [7, 43, 51], leading to discriminatory generated outputs. Therefore, integrating mechanisms to detect and mitigate biases is crucial. Nevertheless, our method guides the generation process decisions based on task-specific hierarchical prototypes, fostering AI systems that better align with downstream task distributions and exhibit fewer biases. Another potential concern is the misuse of generated data, which could be exploited for malicious purposes such as deepfakes [38], resulting in misinformation dissemination and adverse societal impacts. Proper constraints on the proliferation and correct usage of generative models are crucial. This necessitates the establishment of relevant regulations and guidelines to ensure the responsible development and utilization of synthetic data models. B More Implementation Details B.1 Datasets Table 8 provides the detailed statistics of six experimental datasets, including Caltech-101 [16], CIFAR100-Subset [31], Standard Cars [30], Image Nette [28], DTD [8], and Path MNIST[68]. Cifar100-Subset and Path MNIST are subsets that randomly sampled from the original trainset with 100 samples per class. Specifically, our evaluation encompasses datasets that span diverse scenarios, incorporating generic objects, fine-grained categories, and textural images. These diverse datasets enable a comprehensive assessment of both the robustness and effectiveness of our proposed methods. Additionally, we also provide the text template employed in the conditional diffusion process in Table 9. Table 8: Summary of our six experimental datasets. NAME CLASSES SIZE (TRAIN / TEST) DESCRIPTION CALTECH-101 100 3000 / 6085 RECOGNITION OF GENERIC OBJECTS CIFAR100-SUBSET 100 10000 / 10000 RECOGNITION OF GENERIC OBJECTS STANDARDCARS 196 8144 / 8041 FINE-GRAINED CLASSIFICATION OF CARS IMAGENETTE 10 9469 / 3925 RECOGNITION OF GENERIC OBJECTS DTD 47 3760 / 1880 TEXTURE CLASSIFICATION PATHMNIST 9 900 / 7180 RECOGNITION OF COLON PATHOLOGY IMAGE B.2 Our Method We implement our methods using the Py Torch framework with Python 3.10.6. We utilize the diffuser [62] to implement our base diffusion models. For all datasets, we generate images with a noise strength of 0.5, except for the medical image dataset Path MNIST, where we use a noise strength of 0.2. The guidance step M in our method is 20 by default, except for 10 for Path MNIST. The half-precision floating-point is used in the generation process to reduce memory costs. The generation, training, and evaluation processes are conducted on a single Ge Force RTX 3090 GPU. We report Table 9: Text templates for six experimental datasets. NAME TEMPLATE CALTECH-101 A PHOTO OF A [CLASS]. CIFAR100-SUBSET A PHOTO OF A [CLASS]. STANDARDCARS A PHOTO OF A [CLASS] CAR. IMAGENETTE A PHOTO OF A [CLASS]. DTD [CLASS] TEXTURE. PATHMNIST A COLON PATHOLOGICAL IMAGE OF [CLASS]. the best test accuracy averaged over three runs and calculate the FID metric using 3000 samples. In order to reduce generation time costs, we pre-compute and save the latent embeddings for all training samples. We use Stable Diffusion 1.4 as our base generation model3. We follow previous data expansion methods by expanding each sample certain ratios. The sampling category distribution is consistent with the original dataset category distribution. B.3 Synthesis-Based Augmentation Contenders Due to benchmark and training setting differences in existing works [78, 2, 33], in order to fairly compare existing methods with ours, we reproduced two state-of-the-art generation-based methods: GIF-SD [78] and LECF [2] on our benchmarks and base diffusion model. For GIF-SD, we used a pretrained CLIP-Vi T-B32 model to facilitate its class-maintained optimization, and a batch size of 4 to facilitate its KL-divergence based diverse sampling. For LECF, we generated 200 prompts for each class prompt, and generated samples with sizes equal to our method s, filtering these samples with a specified threshold using a pretrained Res Net50-CLIP model. As shown in Section 4.3, our methods surpass these contenders. B.4 Transformation-Based Augmentation Contenders We outline the transformation-based augmentation methods compared in our experiments. The effectiveness of all these methods are evaluated on the same datasets and with the same configuration (e.g., learning rate, epochs, batch size, etc.) as our method. Default: We use random crop, random horizontal flip, and random rotation with a 15-degree angle as default augmentation strategies. Auto Aug [9]: We employ the Auto Augment function in Py Torch with the widely used Image Net policy, which includes a diverse range of color and shape transformations. During training, one transformation strategy is randomly selected and applied. Rand Aug [10]: Similar to Auto Aug, we randomly choose two operations from a predefined policy list and apply them to the training samples. Random Erasing [82]: We use the random erase function in Py Torch for Random Erasing. This function randomly selects a rectangular region within an image and erases its pixels with a 50% probability. The proportion of erased area relative to the input image ranges from 0.02 to 0.33, and the aspect ratio of the erased area ranges from 0.3 to 3.3. Grid Mask [5]: Grid Mask is implemented with its official configuration. The probability of applying Grid Mask linearly increases from 0 to 0.8 as training epochs progress up to the 80th epoch, after which it remains constant until 100 epochs. Mix Up [76]: Synthetic interpolated images are generated within each data batch. We sample the interpolation strength from a beta distribution (beta = 1). The loss function is also adjusted accordingly. Cut Mix [74]: Similar to Mix Up, Cut Mix replaces specified regions in original images with input from another image. The loss function is modified accordingly. 3We use the pretrained weights Comp Vis/stable-diffusion-v1-4 from Hugging Face. https:// huggingface.co/Comp Vis/stable-diffusion-v1-4 C Pseudocode We present the pseudocode for our algorithm in Algorithm 1, illustrating the hierarchical energy guidance within the diffusion sampling process. Algorithm 1 Optimization Process of our proposed Dist Diff Input: Hierarchical prototypes pc and pg; Latent data point z T which is encoded from the sample x; Optimization step M; Pre-defined parameters 尾t; Perturbation constraint 系; Pre-trained feature extractor 胃; Denoising network 蠄. for t = T 1, . . . , 0 do 未 N(0, I) if t > 0, else 未 = 0. zt = (1 + 1 2尾t+1)zt+1 + 尾t+1蠄(zt+1, t + 1) + p 尾t+1未 if t = M then Initialize e U(0, 1), b N(0, 1). zt = (1 + e)zt + b z0|t = (zt 1 伪t蠄(zt, t))/ 伪t Dc 胃(z0|t, pc) = 胃(z0|t) pc 2 Dg 胃(z0|t, pg) = 胃(z0|t) pg 2 gt = Dc 胃(z0|t, pc) + Dg 胃(z0|t, pg) update e , b arg mine,bgt (Equation 6) update zt z t = Pz,系((1 + e )zt + b ) end if end for Output: z0. D More Experimental Results D.1 Model Performance Dist Diff is Robust to Guidance Model As mentioned in Section 3.2, we employ a extra feature extractor as our guidance model. To assess the impact of different guidance models, we compared two backbones: a Res Net-50 [21] trained on the original dataset from scratch (weak backbone) and CLIP [6], a strong backbone pre-trained on large datasets and fine-tuned on the original dataset. Table 10 presents the accuracy of the guidance models and the corresponding tuned classifier (Res Net-50). Our Dist Diff method demonstrates robustness, showing negligible changes in accuracy (0.25%) across different guidance models. This highlights the robustness of our approach. To ensure fairness in comparison without knowledge leakage from large pre-trained models, we default to using a randomly initialized Res Net-50 trained on the original dataset as our guidance model. Table 10: Comparison of guidance models on Caltech-101 dataset. We compared the accuracy of two guidance models on the original Caltech-101 dataset. Additionally, we evaluated the performance of a downstream classifier trained on the 5 expanded dataset using corresponding guide model. Guide Model Accuracy (%) Guide Model Downstream Classifier Weak (Random initialized and trained Res Net) 66.71 0.47 82.94 0.43 Strong (Pre-trained and finetuned CLIP) 92.24 0.25 83.19 0.69 Determination of Guidance Scale 蟻. We compared different learning rates 蟻, and the experimental results are shown in Table 11. A learning rate that is too low results in insufficient optimization. Conversely, a learning rate that is too high causes over-optimization, leading to image distortion. Both result in suboptimal performance. We used 蟻 = 10, which achieves the best results, as the default learning rate. Table 11: Comparison of different learning rate 蟻. 蟻 0.1 1.0 10.0 20.0 Accuracy (%) 82.49 0.33 82.74 0.32 83.09 0.11 82.46 0.35 Comparison of Varying Gradient Weight. We compared different contribution levels of two hierarchical prototypes. Specifically, we scaled the gradient of pg by a certain coefficient, 位g. The results in Table 12 indicate that an appropriate scaling weight can further enhance overall performance. Table 12: Comparison of different gradient weights 位g. 位g 0.1 0.3 0.5 0.7 0.9 1.0 2.0 Accuracy (%) 82.61 82.79 83.14 83.12 83.38 83.09 82.73 More Efficiency Comparison The high efficiency of Dist Diff stems from its direct guidance on the pre-trained model without the need to retrain the diffusion models. We provide computational time comparison in Table 13. Compared to the stable diffusion baseline model, we only introduce an extra 0.48 seconds of inference time per sample, which is only 4% of the original inference time. Our method incurs minimal additional time costs and generates samples directly, unlike LECF, which needs extra post-processing to filter low-confidence samples. This makes LECF slower in generating the same number of samples. We are incorporating this cost analysis into the paper. Table 13: Inference Efficiency comparison with existing methods on Caltech-101 dataset. * denotes that the actual time required of LECF to derive one sample after filter post-processing. Evaluation processes are conducted on a single Ge Force RTX 3090 GPU. Method SD LECF GID-SD Ours Inference Time (s) 12.65 12.73 (17.20 *) 13.47 13.13 More Baseline Comparison We add two more baseline: DA-Fusion [61] and Diffuse Mix [29], for comparison. As shown in Table 14. Our method outperforms both baselines. DA-Fusion modifies images while respecting semantic attributes but lacks fine-grained control and incurs additional time costs (around 14 minutes per class on a 3090 GPU) . Our training-free method uses hierarchical guidance for better alignment with the real distribution. Diffuse Mix, which uses bespoke prompts and fractal images for augmentation, treats all datasets equally and may not handle distribution shifts well. Our method shows superior performance compared to these approaches. More Ablation Experiments We add more ablation experiments on Stanford Cars dataset. Our method shows more benefits with fine-grained datasets with greater class variance, as illustrated in Table 15. Additionally, having more groups is not always beneficial; an excessive number of groups may cause prototypes to fit noise points or outliers, which could degrade performance. Dist Diff is Effective on Large-Scale Dataset In this work, we follow previous work, such as GIF-SD and DA-Fusion, in conducting experiments on small datasets, as data augmentation strategies are often necessary in data-scarcity scenarios. Besides, we also conducted experiments on Image Net with 0.2 expanding ratios, resulting in approximately 256K generated samples. As shown in Table 16, our method demonstrates improvements on large-scale datasets. D.2 Further Analysis Trade-Off Between Fidelity and Diversity The data expansion task requires both high fidelity and diversity for effective model training. However, this principle does not universally apply across all scenarios. We assessed the trade-off between high fidelity and diversity by adjusting the diffusion model s strength in adding noise to original images. As the noise strength increases, the diversity of generated data enhances, accompanied by a decrease in FID scores. The resulting accuracy and FID scores are presented in Figure 7, where we observed an inverse relationship between FID (fidelity metric) and accuracy across the Caltech-101 and Path MNIST datasets. We found that introducing Table 14: Comparison of accuracy in expanding Caltech-101 by 5 . Method DA-Fusion Diffuse Mix Ours Accuracy (%) 79.14 82.33 83.09 Table 15: Prototypes comparison of accuracy in expanding Stanford Cars by 2 . We trained Res Net50 with a 448 448 resolution for 128 epochs. Method SD pc pc + pg(K = 1) pc + pg(K = 2) pc + pg(K = 3) pc + pg(K = 4) Accuracy 88.45 89.55 89.69 90.36 90.69 90.62 Table 16: Comparison of accuracy in expanding Image Net by 0.2 . We trained Res Net18 with a 224 224 resolution for 90 epochs. Method Original SD Ours Accuracy (s) 69.30 69.66 69.95 more new content on general datasets, such as Caltech-101, can benefit model training by emphasizing the need for diversity. In contrast, on medical datasets with substantial distribution shifts, maintaining the original data distribution and minimizing disturbances proves to be more effective. D.3 More Visualization Results In this section, we provide visualization comparison between original stable diffusion (SD) and our Dist Diff in Figure 8. Visualization results indicate that our method exhibits finer texture details, more diverse style variations, and stronger foreground-background contrasts, making our samples align real sample distributions. However, the main content of our images still shows minimal deviation from SD, making it challenging for users to discern differences through visual observation alone. In Section 4.4, we provide quantitative analysis to validate that our method generates data with more consistent distributions, thereby enhancing performance in downstream classification tasks. In addition, we visualize more generated samples across six datasets in Figure 9 to demonstrate the effectiveness of Dist Diff. These visualizations confirm that our approach can generate samples with more distribution-consistent patterns. 70 75 80 85 90 FID - Caltech 50 100 150 200 250 FID - Path MNIST Caltech Path Mnist Noise Strength Increases Figure 7: Comparison with FID and accuracy across varying noise strengths. Figure 8: Comparison of visualizations between original Stable Diffusion 1.4 and our Dist Diff. Caltech-101 Cifar100-Subset Stanford Cars Stanford Cars Path MNIST Figure 9: Visualization of synthetic images produced by our method. Neur IPS Paper Checklist Question: Do the main claims made in the abstract and introduction accurately reflect the paper s contributions and scope? Answer: [Yes] Justification: The abstract provides a concise summary of the main findings and contributions of the paper, while the introduction elaborates on the problem statement and research objectives, thereby clarifying the contributions. Guidelines: The answer NA means that the abstract and introduction do not include the claims made in the paper. The abstract and/or introduction should clearly state the claims made, including the contributions made in the paper and important assumptions and limitations. A No or NA answer to this question will not be perceived well by the reviewers. 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