Scientific reasoning is an increasingly important capability of large language models, yet improving the robustness and efficiency of training such reasoning remains a key open challenge. We study this problem in instruction-based molecular optimization, where answer-only supervised fine-tuning (SFT) collapses multi-step reasoning and reinforcement learning with verifiable rewards (RLVR) suffers from sparse feedback. Reference-guided Policy Optimization (RePO) mitigates both by anchoring policy updates to dataset-provided references, but its effectiveness is tightly coupled to reference quality: weak or misaligned references impose a performance ceiling. To overcome this ceiling, we propose active reasoning, a paradigm in which the policy actively decides, on a per-instance basis, when to imitate a reference and when to reinforce its own discoveries, while continuously upgrading what it imitates. We instantiate this paradigm as Active Group Relative Policy Optimization (Active-GRPO), realized through two coupled mechanisms: active imitate-reinforce and active referencing. The former performs imitation learning when the reference still outperforms the policy's own candidates, and shifts to self-improvement via reinforcement learning once the policy has generated molecules that surpass the reference. The latter continuously upgrades the reference itself by replacing it with the best policy-generated candidate discovered so far, progressively raising the imitation target and ensuring that reference guidance remains informative--rather than restrictive--throughout training. Across TOMG-Bench MOLOPT, Active-GRPO improves average SR Sim from 0.0959 for GRPO and 0.1665 for RePO to 0.1773 under matched three-seed evaluation, with statistically significant gains on LogP, MR, and QED.

Recently, semantically constrained adversarial examples (SemanticAE), which are directly generated from natural language instructions, have become a promising avenue for future research due to their flexible attacking forms, but have not been thoroughly explored yet. To generate SemanticAEs, current methods fall short of satisfactory attacking ability as the key underlying factors of semantic uncertainty in human instructions, such as referring diversity, descriptive incompleteness, and boundary ambiguity, have not been fully investigated. To tackle the issues, this paper develops a multi-dimensional instruction uncertainty reduction (InsUR) framework to generate more satisfactory SemanticAE, i.e., transferable, adaptive, and effective. Specifically, in the dimension of the sampling method, we propose the residual-driven attacking direction stabilization to alleviate the unstable adversarial optimization caused by the diversity of language references. By coarsely predicting the language-guided sampling process, the optimization process will be stabilized by the designed ResAdv-DDIM sampler, therefore releasing the transferable and robust adversarial capability of multi-step diffusion models.

Guidance techniques are commonly used in diffusion and flow models to improve image quality and input consistency for conditional generative tasks such as classconditional and text-to-image generation. In particular, classifier-free guidance (CFG) is the most widely adopted guidance technique. It results, however, in trade-offs across quality, diversity and consistency: improving some at the expense of others. While recent work has shown that it is possible to disentangle thesefactors to some extent, such methods come with an overhead of requiring an additional (weaker) model, or require more forward passes per sampling step. In this paper, we propose Entropy Rectifying Guidance (ERG), a simple and effective guidance method based on inference-time changes in the attention mechanism of state-of-the-art diffusion transformer architectures, which allows for simultaneousimprovements over image quality, diversity and prompt consistency. ERG is more general than CFG and similar guidance techniques, as it extends to unconditional sampling. We show that ERG results in significant improvements in various tasks, including text-to-image, class-conditional and unconditional image generation. We also show that ERG can be seamlessly combined with other recent guidance methods such as CADS and APG, further improving generation results.

Visuomotor policies trained via behavior cloning are vulnerable to covariate shift, where small deviations from expert trajectories can compound into failure. Common strategies to mitigate this issue involve expanding the training distribution through human-in-the-loop corrections or synthetic data augmentation. However, these approaches are often labor-intensive, rely on strong task assumptions, or compromise the quality of imitation. We introduce Latent Policy Barrier, a framework for robust visuomotor policy learning. Inspired by Control Barrier Functions, LPB treats the latent embeddings of expert demonstrations as an implicit barrier separating safe, in-distribution states from unsafe, out-of-distribution (OOD) ones. Our approach decouples the role of precise expert imitation and OOD recovery into two separate modules: a base diffusion policy solely on expert data, and a dynamics model trained on both expert and suboptimal policy rollout data. At inference time, the dynamics model predicts future latent states and optimizes them to stay within the expert distribution. Both simulated and real-world experiments show that LPB improves both policy robustness and data efficiency, enabling reliable manipulation from limited expert data and without additional human correction or annotation.

Image-based 3D texture transfer from a single 2D reference image enables practical customization of 3D object appearances with minimal manual effort. Adapted 2D editing and text-driven 3D editing approaches can serve this purpose. However, 2D editing typically involves frame-by-frame manipulation, often resulting in inconsistencies across views, while text-driven 3D editing struggles to preserve texture characteristics from reference images. To tackle these challenges, we introduce 3DOT, a 3DGaussian Splatting Object Texture Transfer method based on a single reference image, integrating: 1) progressive generation, 2) view-consistency gradient guidance, and 3) prompt-tuned gradient guidance. To ensure view consistency, progressive generation starts by transferring texture from the reference image and gradually propagates it to adjacent views. View-consistency gradient guidance further reinforces coherence by conditioning the generation model on feature differences between consistent and inconsistent outputs. To preserve texture characteristics, prompt-tuning-based gradient guidance learns a token that describes differences between original and reference textures, guiding the transfer for faithful texture preservation across views. Overall, 3DOT combines these strategies to achieve effective texture transfer while maintaining structural coherence across viewpoints. Extensive qualitative and quantitative evaluations confirm that our three components enable convincing and effective 2D-to-3D texture transfer.

A major challenge in using diffusion models is aligning outputs with user-defined conditions. Existing conditional generation methods fall into two major categories: classifier-based guidance, which requires differentiable target models and gradientbased correction; and classifier-free guidance, which embeds conditions directly into the diffusion model but demands expensive joint training and architectural coupling. In this work, we introduce a third paradigm: DISCrete nOise (DISCO) guidance, which replaces the continuous conditional correction term with a finite codebook of discrete noise vectors sampled from a Gaussian prior. Conditional generation is reformulated as a code selection task, and we train prediction network to choose the optimal code given the intermediate diffusion state and the conditioning input. Our approach is differentiability-free, and training-efficient, avoiding the gradient computation and architectural redundancy of prior methods. Empirical results demonstrate that DISCO achieves competitive controllability while substantially reducing resource demands, positioning it as a scalable and effective alternative for conditional diffusion generation.

Chance constrained programming (CCP) is a powerful framework for addressing optimization problems under uncertainty. In this paper, we introduce a novel Gradient-Guided Diffusion-based Optimization framework, termed GGDOpt, which tackles CCP through three key innovations.

Protein fitness optimization involves finding a protein sequence that maximizes desired quantitative properties in a combinatorially large design space of possible sequences. Recent advances in steering protein generative models (e.g., diffusion models and language models) with labeled data offer a promising approach. However, most previous studies have optimized surrogate rewards and/or utilized large amounts of labeled data for steering, making it unclear how well existing methods perform and compare to each other in real-world optimization campaigns where fitness is measured through low-throughput wet-lab assays. In this study, we explore fitness optimization using small amounts (hundreds) of labeled sequencefitness pairs and comprehensively evaluate strategies such as classifier guidance and posterior sampling for guiding generation from different discrete diffusion models of protein sequences. We also demonstrate how guidance can be integrated into adaptive sequence selection akin to Thompson sampling in Bayesian optimization, showing that plug-and-play guidance strategies offer advantages over alternatives such as reinforcement learning with protein language models. Overall, we provide practical insights into how to effectively steer modern generative models for next-generation protein fitness optimization.

Old-photo face restoration poses significant challenges due to compounded degradations such as breakage, fading, and severe blur. Existing pre-trained diffusionguided methods either rely on explicit degradation priors or global statistical guidance, which struggle with localized artifacts or face color. We propose SelfSupervised Selective-Guided Diffusion (SSDiff), which leverages pseudo-reference faces generated by a pre-trained diffusion model under weak guidance. These pseudo-labels exhibit structurally aligned contours and natural colors, enabling region-specific restoration via staged supervision: structural guidance applied throughout the denoising process and color refinement in later steps, aligned with the coarse-to-fine nature of diffusion.

Text-to-image (T2I) diffusion/flow models have drawn considerable attention recently due to their remarkable ability to deliver flexible visual creations. Still, high-resolution image synthesis presents formidable challenges due to the scarcity and complexity of high-resolution content. Recent approaches have investigated training-free strategies to enable high-resolution image synthesis with pre-trained models. However, these techniques often struggle with generating high-quality visuals and tend to exhibit artifacts or low-fidelity details, as they typically rely solely on the endpoint of the low-resolution sampling trajectory while neglecting intermediate states that are critical for preserving structure and synthesizing finer detail. To this end, we present HiFlow, a training-free and model-agnostic framework to unlock the resolution potential of pre-trained flow models. Specifically, HiFlow establishes a virtual reference flow within the high-resolution space that effectively captures the characteristics of low-resolution flow information, offering guidance for high-resolution generation through three key aspects: initialization alignment for low-frequency consistency, direction alignment for structure preservation, and acceleration alignment for detail fidelity. By leveraging such flow-aligned guidance, HiFlow substantially elevates the quality of high-resolution image synthesis of T2I models and demonstrates versatility across their personalized variants.