Score-based diffusion models (SBDMs) have achieved the SOTA FID results in unpaired image-to-image translation (I2I). However, we notice that existing methods totally ignore the training data in the source domain, leading to sub-optimal solutions for unpaired I2I. To this end, we propose energy-guided stochastic differential equations (EGSDE) that employs an energy function pretrained on both the source and target domains to guide the inference process of a pretrained SDE for realistic and faithful unpaired I2I. Building upon two feature extractors, we carefully design the energy function such that it encourages the transferred image to preserve the domain-independent features and discard domain-specific ones. Further, we provide an alternative explanation of the EGSDE as a product of experts, where each of the three experts (corresponding to the SDE and two feature extractors) solely contributes to faithfulness or realism. Empirically, we compare EGSDE to a large family of baselines on three widely-adopted unpaired I2I tasks under four metrics. EGSDE not only consistently outperforms existing SBDMs-based methods in almost all settings but also achieves the SOTA realism results without harming the faithful performance. Furthermore, EGSDE allows for flexible trade-offs between realism and faithfulness and we improve the realism results further (e.g., FID of 51.04 in Cat to Dog and FID of 50.43 in Wild to Dog on AFHQ) by tuning hyper-parameters. The code is available at https://github.com/ML-GSAI/EGSDE.
Inverse molecular design is critical in material science and drug discovery, where the generated molecules should satisfy certain desirable properties. In this paper, we propose equivariant energy-guided stochastic differential equations (EEGSDE), a flexible framework for controllable 3D molecule generation under the guidance of an energy function in diffusion models. Formally, we show that EEGSDE naturally exploits the geometric symmetry in 3D molecular conformation, as long as the energy function is invariant to orthogonal transformations. Empirically, under the guidance of designed energy functions, EEGSDE significantly improves the baseline on QM9, in inverse molecular design targeted to quantum properties and molecular structures. Furthermore, EEGSDE is able to generate molecules with multiple target properties by combining the corresponding energy functions linearly.
The rapid advancement of text-to-image (T2I) diffusion models has enabled them to generate unprecedented results from given texts. However, as text inputs become longer, existing encoding methods like CLIP face limitations, and aligning the generated images with long texts becomes challenging. To tackle these issues, we propose LongAlign, which includes a segment-level encoding method for processing long texts and a decomposed preference optimization method for effective alignment training. For segment-level encoding, long texts are divided into multiple segments and processed separately. This method overcomes the maximum input length limits of pretrained encoding models. For preference optimization, we provide decomposed CLIP-based preference models to fine-tune diffusion models. Specifically, to utilize CLIP-based preference models for T2I alignment, we delve into their scoring mechanisms and find that the preference scores can be decomposed into two components: a text-relevant part that measures T2I alignment and a text-irrelevant part that assesses other visual aspects of human preference. Additionally, we find that the text-irrelevant part contributes to a common overfitting problem during fine-tuning. To address this, we propose a reweighting strategy that assigns different weights to these two components, thereby reducing overfitting and enhancing alignment. After fine-tuning $512 \times 512$ Stable Diffusion (SD) v1.5 for about 20 hours using our method, the fine-tuned SD outperforms stronger foundation models in T2I alignment, such as PixArt-$α$ and Kandinsky v2.2. The code is available at https://github.com/luping-liu/LongAlign.
Advancements in text-to-image diffusion models have broadened extensive downstream practical applications, but such models often encounter misalignment issues between text and image. Taking the generation of a combination of two disentangled concepts as an example, say given the prompt "a tea cup of iced coke", existing models usually generate a glass cup of iced coke because the iced coke usually co-occurs with the glass cup instead of the tea one during model training. The root of such misalignment is attributed to the confusion in the latent semantic space of text-to-image diffusion models, and hence we refer to the "a tea cup of iced coke" phenomenon as Latent Concept Misalignment (LC-Mis). We leverage large language models (LLMs) to thoroughly investigate the scope of LC-Mis, and develop an automated pipeline for aligning the latent semantics of diffusion models to text prompts. Empirical assessments confirm the effectiveness of our approach, substantially reducing LC-Mis errors and enhancing the robustness and versatility of text-to-image diffusion models. The code and dataset are here: https://github.com/RossoneriZhao/iced_coke.