Yukang Yang

Yifan Pu, Weicong Liang, Yiduo Hao et al.

Modern detection transformers (DETRs) use a set of object queries to predict a list of bounding boxes, sort them by their classification confidence scores, and select the top-ranked predictions as the final detection results for the given input image. A highly performant object detector requires accurate ranking for the bounding box predictions. For DETR-based detectors, the top-ranked bounding boxes suffer from less accurate localization quality due to the misalignment between classification scores and localization accuracy, thus impeding the construction of high-quality detectors. In this work, we introduce a simple and highly performant DETR-based object detector by proposing a series of rank-oriented designs, combinedly called Rank-DETR. Our key contributions include: (i) a rank-oriented architecture design that can prompt positive predictions and suppress the negative ones to ensure lower false positive rates, as well as (ii) a rank-oriented loss function and matching cost design that prioritizes predictions of more accurate localization accuracy during ranking to boost the AP under high IoU thresholds. We apply our method to improve the recent SOTA methods (e.g., H-DETR and DINO-DETR) and report strong COCO object detection results when using different backbones such as ResNet-$50$, Swin-T, and Swin-L, demonstrating the effectiveness of our approach. Code is available at \url{https://github.com/LeapLabTHU/Rank-DETR}.

Kaixuan Huang, Yukang Yang, Kaidi Fu et al.

This work presents RNAdiffusion, a latent diffusion model for generating and optimizing discrete RNA sequences of variable lengths. RNA is a key intermediary between DNA and protein, exhibiting high sequence diversity and complex three-dimensional structures to support a wide range of functions. We utilize pretrained BERT-type models to encode raw RNA sequences into token-level, biologically meaningful representations. A Query Transformer is employed to compress such representations into a set of fixed-length latent vectors, with an autoregressive decoder trained to reconstruct RNA sequences from these latent variables. We then develop a continuous diffusion model within this latent space. To enable optimization, we integrate the gradients of reward models--surrogates for RNA functional properties--into the backward diffusion process, thereby generating RNAs with high reward scores. Empirical results confirm that RNAdiffusion generates non-coding RNAs that align with natural distributions across various biological metrics. Further, we fine-tune the diffusion model on mRNA 5' untranslated regions (5'-UTRs) and optimize sequences for high translation efficiencies. Our guided diffusion model effectively generates diverse 5'-UTRs with high Mean Ribosome Loading (MRL) and Translation Efficiency (TE), outperforming baselines in balancing rewards and structural stability trade-off. Our findings hold potential for advancing RNA sequence-function research and therapeutic RNA design.

Yingqing Guo, Hui Yuan, Yukang Yang et al.

Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards optimizing user-specified objectives. We establish a mathematical framework for guided diffusion to systematically study its optimization theory and algorithmic design. Our theoretical analysis spots a strong link between guided diffusion models and optimization: gradient-guided diffusion models are essentially sampling solutions to a regularized optimization problem, where the regularization is imposed by the pre-training data. As for guidance design, directly bringing in the gradient of an external objective function as guidance would jeopardize the structure in generated samples. We investigate a modified form of gradient guidance based on a forward prediction loss, which leverages the information in pre-trained score functions and provably preserves the latent structure. We further consider an iteratively fine-tuned version of gradient-guided diffusion where guidance and score network are both updated with newly generated samples. This process mimics a first-order optimization iteration in expectation, for which we proved O(1/K) convergence rate to the global optimum when the objective function is concave. Our code will be released at https://github.com/yukang123/GGDMOptim.git.

Haozhe Liu, Ding Liu, Mingchen Zhuge et al.

We introduce MoS (Mixture of States), a novel fusion paradigm for multimodal diffusion models that merges modalities using flexible, state-based interactions. The core of MoS is a learnable, token-wise router that creates denoising timestep- and input-dependent interactions between modalities' hidden states, precisely aligning token-level features with the diffusion trajectory. This router sparsely selects the top-$k$ hidden states and is trained with an $ε$-greedy strategy, efficiently selecting contextual features with minimal learnable parameters and negligible computational overhead. We validate our design with text-to-image generation (MoS-Image) and editing (MoS-Editing), which achieve state-of-the-art results. With only 3B to 5B parameters, our models match or surpass counterparts up to $4\times$ larger. These findings establish MoS as a flexible and compute-efficient paradigm for scaling multimodal diffusion models.

Yukang Yang, Declan Campbell, Kaixuan Huang et al.

Many recent studies have found evidence for emergent reasoning capabilities in large language models (LLMs), but debate persists concerning the robustness of these capabilities, and the extent to which they depend on structured reasoning mechanisms. To shed light on these issues, we study the internal mechanisms that support abstract reasoning in LLMs. We identify an emergent symbolic architecture that implements abstract reasoning via a series of three computations. In early layers, symbol abstraction heads convert input tokens to abstract variables based on the relations between those tokens. In intermediate layers, symbolic induction heads perform sequence induction over these abstract variables. Finally, in later layers, retrieval heads predict the next token by retrieving the value associated with the predicted abstract variable. These results point toward a resolution of the longstanding debate between symbolic and neural network approaches, suggesting that emergent reasoning in neural networks depends on the emergence of symbolic mechanisms.

Yingqing Guo, Yukang Yang, Hui Yuan et al.

Training-free guidance enables controlled generation in diffusion and flow models, but most methods rely on gradients and assume differentiable objectives. This work focuses on training-free guidance addressing challenges from non-differentiable objectives and discrete data distributions. We propose TreeG: Tree Search-Based Path Steering Guidance, applicable to both continuous and discrete settings in diffusion and flow models. TreeG offers a unified framework for training-free guidance by proposing, evaluating, and selecting candidates at each step, enhanced with tree search over active paths and parallel exploration. We comprehensively investigate the design space of TreeG over the candidate proposal module and the evaluation function, instantiating TreeG into three novel algorithms. Our experiments show that TreeG consistently outperforms top guidance baselines in symbolic music generation, small molecule design, and enhancer DNA design with improvements of 29.01%, 16.6%, and 18.43%. Additionally, we identify an inference-time scaling law showing TreeG's scalability in inference-time computation.

Andrew Nam, Henry Conklin, Yukang Yang et al.

We present causal head gating (CHG), a scalable method for interpreting the functional roles of attention heads in transformer models. CHG learns soft gates over heads and assigns them a causal taxonomy - facilitating, interfering, or irrelevant - based on their impact on task performance. Unlike prior approaches in mechanistic interpretability, which are hypothesis-driven and require prompt templates or target labels, CHG applies directly to any dataset using standard next-token prediction. We evaluate CHG across multiple large language models (LLMs) in the Llama 3 model family and diverse tasks, including syntax, commonsense, and mathematical reasoning, and show that CHG scores yield causal, not merely correlational, insight validated via ablation and causal mediation analyses. We also introduce contrastive CHG, a variant that isolates sub-circuits for specific task components. Our findings reveal that LLMs contain multiple sparse task-sufficient sub-circuits, that individual head roles depend on interactions with others (low modularity), and that instruction following and in-context learning rely on separable mechanisms.

Yukang Yang, Dongnan Gui, Yuhui Yuan et al.

Recently, there has been an increasing interest in developing diffusion-based text-to-image generative models capable of generating coherent and well-formed visual text. In this paper, we propose a novel and efficient approach called GlyphControl to address this task. Unlike existing methods that rely on character-aware text encoders like ByT5 and require retraining of text-to-image models, our approach leverages additional glyph conditional information to enhance the performance of the off-the-shelf Stable-Diffusion model in generating accurate visual text. By incorporating glyph instructions, users can customize the content, location, and size of the generated text according to their specific requirements. To facilitate further research in visual text generation, we construct a training benchmark dataset called LAION-Glyph. We evaluate the effectiveness of our approach by measuring OCR-based metrics, CLIP score, and FID of the generated visual text. Our empirical evaluations demonstrate that GlyphControl outperforms the recent DeepFloyd IF approach in terms of OCR accuracy, CLIP score, and FID, highlighting the efficacy of our method.