Blend the Separated: Mixture of Synergistic Experts for Data-Scarcity Drug-Target Interaction Prediction

Drug-target interaction prediction (DTI) is essential in various applications including drug discovery and clinical application. There are two perspectives of input data widely used in DTI prediction: Intrinsic data represents how drugs or targets are constructed, and extrinsic data represents how drugs or targets are related to other biological entities. However, any of the two perspectives of input data can be scarce for some drugs or targets, especially for those unpopular or newly discovered. Furthermore, ground-truth labels for specific interaction types can also be scarce. Therefore, we propose the first method to tackle DTI prediction under input data and/or label scarcity. To make our model functional when only one perspective of input data is available, we design two separate experts to process intrinsic and extrinsic data respectively and fuse them adaptively according to different samples. Furthermore, to make the two perspectives complement each other and remedy label scarcity, two experts synergize with each other in a mutually supervised way to exploit the enormous unlabeled data. Extensive experiments on 3 real-world datasets under different extents of input data scarcity and/or label scarcity demonstrate our model outperforms states of the art significantly and steadily, with a maximum improvement of 53.53%. We also test our model without any data scarcity and it still outperforms current methods.

CoRe^2: Collect, Reflect and Refine to Generate Better and Faster

Making text-to-image (T2I) generative model sample both fast and well represents a promising research direction. Previous studies have typically focused on either enhancing the visual quality of synthesized images at the expense of sampling efficiency or dramatically accelerating sampling without improving the base model's generative capacity. Moreover, nearly all inference methods have not been able to ensure stable performance simultaneously on both diffusion models (DMs) and visual autoregressive models (ARMs). In this paper, we introduce a novel plug-and-play inference paradigm, CoRe^2, which comprises three subprocesses: Collect, Reflect, and Refine. CoRe^2 first collects classifier-free guidance (CFG) trajectories, and then use collected data to train a weak model that reflects the easy-to-learn contents while reducing number of function evaluations during inference by half. Subsequently, CoRe^2 employs weak-to-strong guidance to refine the conditional output, thereby improving the model's capacity to generate high-frequency and realistic content, which is difficult for the base model to capture. To the best of our knowledge, CoRe^2 is the first to demonstrate both efficiency and effectiveness across a wide range of DMs, including SDXL, SD3.5, and FLUX, as well as ARMs like LlamaGen. It has exhibited significant performance improvements on HPD v2, Pick-of-Pic, Drawbench, GenEval, and T2I-Compbench. Furthermore, CoRe^2 can be seamlessly integrated with the state-of-the-art Z-Sampling, outperforming it by 0.3 and 0.16 on PickScore and AES, while achieving 5.64s time saving using SD3.5.Code is released at https://github.com/xie-lab-ml/CoRe/tree/main.

LowRA: Accurate and Efficient LoRA Fine-Tuning of LLMs under 2 Bits

Fine-tuning large language models (LLMs) is increasingly costly as models scale to hundreds of billions of parameters, and even parameter-efficient fine-tuning (PEFT) methods like LoRA remain resource-intensive. We introduce LowRA, the first framework to enable LoRA fine-tuning below 2 bits per parameter with minimal performance loss. LowRA optimizes fine-grained quantization - mapping, threshold selection, and precision assignment - while leveraging efficient CUDA kernels for scalable deployment. Extensive evaluations across 4 LLMs and 4 datasets show that LowRA achieves a superior performance-precision trade-off above 2 bits and remains accurate down to 1.15 bits, reducing memory usage by up to 50%. Our results highlight the potential of ultra-low-bit LoRA fine-tuning for resource-constrained environments.

Zigzag Diffusion Sampling: Diffusion Models Can Self-Improve via Self-Reflection

Diffusion models, the most popular generative paradigm so far, can inject conditional information into the generation path to guide the latent towards desired directions. However, existing text-to-image diffusion models often fail to maintain high image quality and high prompt-image alignment for those challenging prompts. To mitigate this issue and enhance existing pretrained diffusion models, we mainly made three contributions in this paper. First, we propose diffusion self-reflection that alternately performs denoising and inversion and demonstrate that such diffusion self-reflection can leverage the guidance gap between denoising and inversion to capture prompt-related semantic information with theoretical and empirical evidence. Second, motivated by theoretical analysis, we derive Zigzag Diffusion Sampling (Z-Sampling), a novel self-reflection-based diffusion sampling method that leverages the guidance gap between denosing and inversion to accumulate semantic information step by step along the sampling path, leading to improved sampling results. Moreover, as a plug-and-play method, Z-Sampling can be generally applied to various diffusion models (e.g., accelerated ones and Transformer-based ones) with very limited coding and computational costs. Third, our extensive experiments demonstrate that Z-Sampling can generally and significantly enhance generation quality across various benchmark datasets, diffusion models, and performance evaluation metrics. For example, DreamShaper with Z-Sampling can self-improve with the HPSv2 winning rate up to 94% over the original results. Moreover, Z-Sampling can further enhance existing diffusion models combined with other orthogonal methods, including Diffusion-DPO.

Bag of Design Choices for Inference of High-Resolution Masked Generative Transformer

Text-to-image diffusion models (DMs) develop at an unprecedented pace, supported by thorough theoretical exploration and empirical analysis. Unfortunately, the discrepancy between DMs and autoregressive models (ARMs) complicates the path toward achieving the goal of unified vision and language generation. Recently, the masked generative Transformer (MGT) serves as a promising intermediary between DM and ARM by predicting randomly masked image tokens (i.e., masked image modeling), combining the efficiency of DM with the discrete token nature of ARM. However, we find that the comprehensive analyses regarding the inference for MGT are virtually non-existent, and thus we aim to present positive design choices to fill this gap. We modify and re-design a set of DM-based inference techniques for MGT and further elucidate their performance on MGT. We also discuss the approach to correcting token's distribution to enhance inference. Extensive experiments and empirical analyses lead to concrete and effective design choices, and these design choices can be merged to achieve further performance gains. For instance, in terms of enhanced inference, we achieve winning rates of approximately 70% compared to vanilla sampling on HPS v2 with the recent SOTA MGT Meissonic. Our contributions have the potential to further enhance the capabilities and future development of MGTs.

Golden Noise for Diffusion Models: A Learning Framework

Text-to-image diffusion model is a popular paradigm that synthesizes personalized images by providing a text prompt and a random Gaussian noise. While people observe that some noises are ``golden noises'' that can achieve better text-image alignment and higher human preference than others, we still lack a machine learning framework to obtain those golden noises. To learn golden noises for diffusion sampling, we mainly make three contributions in this paper. First, we identify a new concept termed the \textit{noise prompt}, which aims at turning a random Gaussian noise into a golden noise by adding a small desirable perturbation derived from the text prompt. Following the concept, we first formulate the \textit{noise prompt learning} framework that systematically learns ``prompted'' golden noise associated with a text prompt for diffusion models. Second, we design a noise prompt data collection pipeline and collect a large-scale \textit{noise prompt dataset}~(NPD) that contains 100k pairs of random noises and golden noises with the associated text prompts. With the prepared NPD as the training dataset, we trained a small \textit{noise prompt network}~(NPNet) that can directly learn to transform a random noise into a golden noise. The learned golden noise perturbation can be considered as a kind of prompt for noise, as it is rich in semantic information and tailored to the given text prompt. Third, our extensive experiments demonstrate the impressive effectiveness and generalization of NPNet on improving the quality of synthesized images across various diffusion models, including SDXL, DreamShaper-xl-v2-turbo, and Hunyuan-DiT. Moreover, NPNet is a small and efficient controller that acts as a plug-and-play module with very limited additional inference and computational costs, as it just provides a golden noise instead of a random noise without accessing the original pipeline.

IV-Mixed Sampler: Leveraging Image Diffusion Models for Enhanced Video Synthesis

The multi-step sampling mechanism, a key feature of visual diffusion models, has significant potential to replicate the success of OpenAI's Strawberry in enhancing performance by increasing the inference computational cost. Sufficient prior studies have demonstrated that correctly scaling up computation in the sampling process can successfully lead to improved generation quality, enhanced image editing, and compositional generalization. While there have been rapid advancements in developing inference-heavy algorithms for improved image generation, relatively little work has explored inference scaling laws in video diffusion models (VDMs). Furthermore, existing research shows only minimal performance gains that are perceptible to the naked eye. To address this, we design a novel training-free algorithm IV-Mixed Sampler that leverages the strengths of image diffusion models (IDMs) to assist VDMs surpass their current capabilities. The core of IV-Mixed Sampler is to use IDMs to significantly enhance the quality of each video frame and VDMs ensure the temporal coherence of the video during the sampling process. Our experiments have demonstrated that IV-Mixed Sampler achieves state-of-the-art performance on 4 benchmarks including UCF-101-FVD, MSR-VTT-FVD, Chronomagic-Bench-150, and Chronomagic-Bench-1649. For example, the open-source Animatediff with IV-Mixed Sampler reduces the UMT-FVD score from 275.2 to 228.6, closing to 223.1 from the closed-source Pika-2.0.

Elucidating the Design Space of Dataset Condensation

Dataset condensation, a concept within data-centric learning, efficiently transfers critical attributes from an original dataset to a synthetic version, maintaining both diversity and realism. This approach significantly improves model training efficiency and is adaptable across multiple application areas. Previous methods in dataset condensation have faced challenges: some incur high computational costs which limit scalability to larger datasets (e.g., MTT, DREAM, and TESLA), while others are restricted to less optimal design spaces, which could hinder potential improvements, especially in smaller datasets (e.g., SRe2L, G-VBSM, and RDED). To address these limitations, we propose a comprehensive design framework that includes specific, effective strategies like implementing soft category-aware matching and adjusting the learning rate schedule. These strategies are grounded in empirical evidence and theoretical backing. Our resulting approach, Elucidate Dataset Condensation (EDC), establishes a benchmark for both small and large-scale dataset condensation. In our testing, EDC achieves state-of-the-art accuracy, reaching 48.6% on ImageNet-1k with a ResNet-18 model at an IPC of 10, which corresponds to a compression ratio of 0.78%. This performance exceeds those of SRe2L, G-VBSM, and RDED by margins of 27.3%, 17.2%, and 6.6%, respectively.

Rethinking Centered Kernel Alignment in Knowledge Distillation

Knowledge distillation has emerged as a highly effective method for bridging the representation discrepancy between large-scale models and lightweight models. Prevalent approaches involve leveraging appropriate metrics to minimize the divergence or distance between the knowledge extracted from the teacher model and the knowledge learned by the student model. Centered Kernel Alignment (CKA) is widely used to measure representation similarity and has been applied in several knowledge distillation methods. However, these methods are complex and fail to uncover the essence of CKA, thus not answering the question of how to use CKA to achieve simple and effective distillation properly. This paper first provides a theoretical perspective to illustrate the effectiveness of CKA, which decouples CKA to the upper bound of Maximum Mean Discrepancy~(MMD) and a constant term. Drawing from this, we propose a novel Relation-Centered Kernel Alignment~(RCKA) framework, which practically establishes a connection between CKA and MMD. Furthermore, we dynamically customize the application of CKA based on the characteristics of each task, with less computational source yet comparable performance than the previous methods. The extensive experiments on the CIFAR-100, ImageNet-1k, and MS-COCO demonstrate that our method achieves state-of-the-art performance on almost all teacher-student pairs for image classification and object detection, validating the effectiveness of our approaches.

Enhancing Adversarial Attacks: The Similar Target Method

Deep neural networks are vulnerable to adversarial examples, posing a threat to the models' applications and raising security concerns. An intriguing property of adversarial examples is their strong transferability. Several methods have been proposed to enhance transferability, including ensemble attacks which have demonstrated their efficacy. However, prior approaches simply average logits, probabilities, or losses for model ensembling, lacking a comprehensive analysis of how and why model ensembling significantly improves transferability. In this paper, we propose a similar targeted attack method named Similar Target~(ST). By promoting cosine similarity between the gradients of each model, our method regularizes the optimization direction to simultaneously attack all surrogate models. This strategy has been proven to enhance generalization ability. Experimental results on ImageNet validate the effectiveness of our approach in improving adversarial transferability. Our method outperforms state-of-the-art attackers on 18 discriminative classifiers and adversarially trained models.