Daily Papers

Chemical reaction prediction, involving forward synthesis and retrosynthesis prediction, is a fundamental problem in organic synthesis. A popular computational paradigm formulates synthesis prediction as a sequence-to-sequence translation problem, where the typical SMILES is adopted for molecule representations. However, the general-purpose SMILES neglects the characteristics of chemical reactions, where the molecular graph topology is largely unaltered from reactants to products, resulting in the suboptimal performance of SMILES if straightforwardly applied. In this article, we propose the root-aligned SMILES (R-SMILES), which specifies a tightly aligned one-to-one mapping between the product and the reactant SMILES for more efficient synthesis prediction. Due to the strict one-to-one mapping and reduced edit distance, the computational model is largely relieved from learning the complex syntax and dedicated to learning the chemical knowledge for reactions. We compare the proposed R-SMILES with various state-of-the-art baselines and show that it significantly outperforms them all, demonstrating the superiority of the proposed method.

Tooth arrangement is a crucial step in orthodontics treatment, in which aligning teeth could improve overall well-being, enhance facial aesthetics, and boost self-confidence. To improve the efficiency of tooth arrangement and minimize errors associated with unreasonable designs by inexperienced practitioners, some deep learning-based tooth arrangement methods have been proposed. Currently, most existing approaches employ MLPs to model the nonlinear relationship between tooth features and transformation matrices to achieve tooth arrangement automatically. However, the limited datasets (which to our knowledge, have not been made public) collected from clinical practice constrain the applicability of existing methods, making them inadequate for addressing diverse malocclusion issues. To address this challenge, we propose a general tooth arrangement neural network based on the diffusion probabilistic model. Conditioned on the features extracted from the dental model, the diffusion probabilistic model can learn the distribution of teeth transformation matrices from malocclusion to normal occlusion by gradually denoising from a random variable, thus more adeptly managing real orthodontic data. To take full advantage of effective features, we exploit both mesh and point cloud representations by designing different encoding networks to extract the tooth (local) and jaw (global) features, respectively. In addition to traditional metrics ADD, PA-ADD, CSA, and ME_{rot}, we propose a new evaluation metric based on dental arch curves to judge whether the generated teeth meet the individual normal occlusion. Experimental results demonstrate that our proposed method achieves state-of-the-art tooth alignment results and satisfactory occlusal relationships between dental arches. We will publish the code and dataset.

Image enhancement improves visual quality and helps reveal details that are hard to see in the original image. In medical imaging, it can support clinical decision-making, but current models often over-edit. This can distort organs, create false findings, and miss small tumors because these models do not understand anatomy or contrast dynamics. We propose SMILE, an anatomy-aware diffusion model that learns how organs are shaped and how they take up contrast. It enhances only clinically relevant regions while leaving all other areas unchanged. SMILE introduces three key ideas: (1) structure-aware supervision that follows true organ boundaries and contrast patterns; (2) registration-free learning that works directly with unaligned multi-phase CT scans; (3) unified inference that provides fast and consistent enhancement across all contrast phases. Across six external datasets, SMILE outperforms existing methods in image quality (14.2% higher SSIM, 20.6% higher PSNR, 50% better FID) and in clinical usefulness by producing anatomically accurate and diagnostically meaningful images. SMILE also improves cancer detection from non-contrast CT, raising the F1 score by up to 10 percent.

Detecting dental diseases through panoramic X-rays images is a standard procedure for dentists. Normally, a dentist need to identify diseases and find the infected teeth. While numerous machine learning models adopting this two-step procedure have been developed, there has not been an end-to-end model that can identify teeth and their associated diseases at the same time. To fill the gap, we develop YOLOrtho, a unified framework for teeth enumeration and dental disease detection. We develop our model on Dentex Challenge 2023 data, which consists of three distinct types of annotated data. The first part is labeled with quadrant, and the second part is labeled with quadrant and enumeration and the third part is labeled with quadrant, enumeration and disease. To further improve detection, we make use of Tufts Dental public dataset. To fully utilize the data and learn both teeth detection and disease identification simultaneously, we formulate diseases as attributes attached to their corresponding teeth. Due to the nature of position relation in teeth enumeration, We replace convolution layer with CoordConv in our model to provide more position information for the model. We also adjust the model architecture and insert one more upsampling layer in FPN in favor of large object detection. Finally, we propose a post-process strategy for teeth layout that corrects teeth enumeration based on linear sum assignment. Results from experiments show that our model exceeds large Diffusion-based model.

Due to the necessity for precise treatment planning, the use of panoramic X-rays to identify different dental diseases has tremendously increased. Although numerous ML models have been developed for the interpretation of panoramic X-rays, there has not been an end-to-end model developed that can identify problematic teeth with dental enumeration and associated diagnoses at the same time. To develop such a model, we structure the three distinct types of annotated data hierarchically following the FDI system, the first labeled with only quadrant, the second labeled with quadrant-enumeration, and the third fully labeled with quadrant-enumeration-diagnosis. To learn from all three hierarchies jointly, we introduce a novel diffusion-based hierarchical multi-label object detection framework by adapting a diffusion-based method that formulates object detection as a denoising diffusion process from noisy boxes to object boxes. Specifically, to take advantage of the hierarchically annotated data, our method utilizes a novel noisy box manipulation technique by adapting the denoising process in the diffusion network with the inference from the previously trained model in hierarchical order. We also utilize a multi-label object detection method to learn efficiently from partial annotations and to give all the needed information about each abnormal tooth for treatment planning. Experimental results show that our method significantly outperforms state-of-the-art object detection methods, including RetinaNet, Faster R-CNN, DETR, and DiffusionDet for the analysis of panoramic X-rays, demonstrating the great potential of our method for hierarchically and partially annotated datasets. The code and the data are available at: https://github.com/ibrahimethemhamamci/HierarchicalDet.

There has been an increasing research interest in developing specialized dialogue systems that can offer mental health support. However, gathering large-scale and real-life multi-turn conversations for mental health support poses challenges due to the sensitivity of personal information, as well as the time and cost involved. To address these issues, we introduce the SMILE approach, an inclusive language expansion technique that employs ChatGPT to extend public single-turn dialogues into multi-turn ones. Our research first presents a preliminary exploratory study that validates the effectiveness of the SMILE approach. Furthermore, we conduct a comprehensive and systematic contrastive analysis of datasets generated with and without the SMILE approach, demonstrating that the SMILE method results in a large-scale, diverse, and close-to-real-life multi-turn mental health support conversation corpus, including dialog topics, lexical and semantic features. Finally, we use the collected corpus (SMILECHAT) to develop a more effective dialogue system that offers emotional support and constructive suggestions in multi-turn conversations for mental health support.

Language models demonstrate fundamental abilities in syntax, semantics, and reasoning, though their performance often depends significantly on the inputs they process. This study introduces TSIS (Simplified TSID) and its variants:TSISD (TSIS with Depth-First Search), TSISO (TSIS in Order), and TSISR (TSIS in Random), as integral components of the t-SMILES framework. These additions complete the framework's design, providing diverse approaches to molecular representation. Through comprehensive analysis and experiments employing deep generative models, including GPT, diffusion models, and reinforcement learning, the findings reveal that the hierarchical structure of t-SMILES is more straightforward to parse than initially anticipated. Furthermore, t-SMILES consistently outperforms other linear representations such as SMILES, SELFIES, and SAFE, demonstrating superior convergence speed and enhanced generalization capabilities.

Reliable interpretation of multimodal data in dentistry is essential for automated oral healthcare, yet current multimodal large language models (MLLMs) struggle to capture fine-grained dental visual details and lack sufficient reasoning ability for precise diagnosis. To address these limitations, we present DentalGPT, a specialized dental MLLM developed through high-quality domain knowledge injection and reinforcement learning. Specifically, the largest annotated multimodal dataset for dentistry to date was constructed by aggregating over 120k dental images paired with detailed descriptions that highlight diagnostically relevant visual features, making it the multimodal dataset with the most extensive collection of dental images to date. Training on this dataset significantly enhances the MLLM's visual understanding of dental conditions, while the subsequent reinforcement learning stage further strengthens its capability for multimodal complex reasoning. Comprehensive evaluations on intraoral and panoramic benchmarks, along with dental subsets of medical VQA benchmarks, show that DentalGPT achieves superior performance in disease classification and dental VQA tasks, outperforming many state-of-the-art MLLMs despite having only 7B parameters. These results demonstrate that high-quality dental data combined with staged adaptation provides an effective pathway for building capable and domain-specialized dental MLLMs.

We introduce ChatGLM, an evolving family of large language models that we have been developing over time. This report primarily focuses on the GLM-4 language series, which includes GLM-4, GLM-4-Air, and GLM-4-9B. They represent our most capable models that are trained with all the insights and lessons gained from the preceding three generations of ChatGLM. To date, the GLM-4 models are pre-trained on ten trillions of tokens mostly in Chinese and English, along with a small set of corpus from 24 languages, and aligned primarily for Chinese and English usage. The high-quality alignment is achieved via a multi-stage post-training process, which involves supervised fine-tuning and learning from human feedback. Evaluations show that GLM-4 1) closely rivals or outperforms GPT-4 in terms of general metrics such as MMLU, GSM8K, MATH, BBH, GPQA, and HumanEval, 2) gets close to GPT-4-Turbo in instruction following as measured by IFEval, 3) matches GPT-4 Turbo (128K) and Claude 3 for long context tasks, and 4) outperforms GPT-4 in Chinese alignments as measured by AlignBench. The GLM-4 All Tools model is further aligned to understand user intent and autonomously decide when and which tool(s) touse -- including web browser, Python interpreter, text-to-image model, and user-defined functions -- to effectively complete complex tasks. In practical applications, it matches and even surpasses GPT-4 All Tools in tasks like accessing online information via web browsing and solving math problems using Python interpreter. Over the course, we have open-sourced a series of models, including ChatGLM-6B (three generations), GLM-4-9B (128K, 1M), GLM-4V-9B, WebGLM, and CodeGeeX, attracting over 10 million downloads on Hugging face in the year 2023 alone. The open models can be accessed through https://github.com/THUDM and https://huggingface.co/THUDM.

To ensure safe usage, Large Language Models (LLMs) typically undergo alignment with human-defined values. However, this alignment often relies on primarily English data and is biased towards Western-centric values, limiting its effectiveness in low-resource language settings. In this paper, we describe our approach for aligning SEA-Lion-v2.1-Instruct (a Llama3-8B variant) to minimize toxicity in Singlish, an English creole specific to Singapore. We find that supervised fine-tuning and Kahneman-Tversky Optimization (KTO) on paired and unpaired preferences is more sample efficient and yields significantly better results than Direct Preference Optimization (DPO). Our analysis reveals that DPO implicitly enforces a weaker safety objective than KTO, and that SFT complements KTO by improving training stability. Finally, we introduce a simple but novel modification to KTO, KTO-S, which improves training stability through better gradient exploitation. Overall, we present a general approach for safety alignment conducive to low-resource English languages, successfully reducing toxicity by 99\% on our Singlish benchmark, with gains generalizing to the broader TOXIGEN dataset while maintaining strong performance across standard LLM benchmarks.

Recent advances in large vision-language models (LVLMs) have demonstrated strong performance on general-purpose medical tasks. However, their effectiveness in specialized domains such as dentistry remains underexplored. In particular, panoramic X-rays, a widely used imaging modality in oral radiology, pose interpretative challenges due to dense anatomical structures and subtle pathological cues, which are not captured by existing medical benchmarks or instruction datasets. To this end, we introduce MMOral, the first large-scale multimodal instruction dataset and benchmark tailored for panoramic X-ray interpretation. MMOral consists of 20,563 annotated images paired with 1.3 million instruction-following instances across diverse task types, including attribute extraction, report generation, visual question answering, and image-grounded dialogue. In addition, we present MMOral-Bench, a comprehensive evaluation suite covering five key diagnostic dimensions in dentistry. We evaluate 64 LVLMs on MMOral-Bench and find that even the best-performing model, i.e., GPT-4o, only achieves 41.45% accuracy, revealing significant limitations of current models in this domain. To promote the progress of this specific domain, we also propose OralGPT, which conducts supervised fine-tuning (SFT) upon Qwen2.5-VL-7B with our meticulously curated MMOral instruction dataset. Remarkably, a single epoch of SFT yields substantial performance enhancements for LVLMs, e.g., OralGPT demonstrates a 24.73% improvement. Both MMOral and OralGPT hold significant potential as a critical foundation for intelligent dentistry and enable more clinically impactful multimodal AI systems in the dental field. The dataset, model, benchmark, and evaluation suite are available at https://github.com/isbrycee/OralGPT.

Panoramic X-rays are frequently used in dentistry for treatment planning, but their interpretation can be both time-consuming and prone to error. Artificial intelligence (AI) has the potential to aid in the analysis of these X-rays, thereby improving the accuracy of dental diagnoses and treatment plans. Nevertheless, designing automated algorithms for this purpose poses significant challenges, mainly due to the scarcity of annotated data and variations in anatomical structure. To address these issues, the Dental Enumeration and Diagnosis on Panoramic X-rays Challenge (DENTEX) has been organized in association with the International Conference on Medical Image Computing and Computer-Assisted Intervention (MICCAI) in 2023. This challenge aims to promote the development of algorithms for multi-label detection of abnormal teeth, using three types of hierarchically annotated data: partially annotated quadrant data, partially annotated quadrant-enumeration data, and fully annotated quadrant-enumeration-diagnosis data, inclusive of four different diagnoses. In this paper, we present the results of evaluating participant algorithms on the fully annotated data, additionally investigating performance variation for quadrant, enumeration, and diagnosis labels in the detection of abnormal teeth. The provision of this annotated dataset, alongside the results of this challenge, may lay the groundwork for the creation of AI-powered tools that can offer more precise and efficient diagnosis and treatment planning in the field of dentistry. The evaluation code and datasets can be accessed at https://github.com/ibrahimethemhamamci/DENTEX

Given a piece of text, a video clip, and a reference audio, the movie dubbing task aims to generate speech that aligns with the video while cloning the desired voice. The existing methods have two primary deficiencies: (1) They struggle to simultaneously hold audio-visual sync and achieve clear pronunciation; (2) They lack the capacity to express user-defined emotions. To address these problems, we propose EmoDubber, an emotion-controllable dubbing architecture that allows users to specify emotion type and emotional intensity while satisfying high-quality lip sync and pronunciation. Specifically, we first design Lip-related Prosody Aligning (LPA), which focuses on learning the inherent consistency between lip motion and prosody variation by duration level contrastive learning to incorporate reasonable alignment. Then, we design Pronunciation Enhancing (PE) strategy to fuse the video-level phoneme sequences by efficient conformer to improve speech intelligibility. Next, the speaker identity adapting module aims to decode acoustics prior and inject the speaker style embedding. After that, the proposed Flow-based User Emotion Controlling (FUEC) is used to synthesize waveform by flow matching prediction network conditioned on acoustics prior. In this process, the FUEC determines the gradient direction and guidance scale based on the user's emotion instructions by the positive and negative guidance mechanism, which focuses on amplifying the desired emotion while suppressing others. Extensive experimental results on three benchmark datasets demonstrate favorable performance compared to several state-of-the-art methods.

Aligning language models with human preferences is crucial for reducing errors and biases in these models. Alignment techniques, such as reinforcement learning from human feedback (RLHF), are typically cast as optimizing a tradeoff between human preference rewards and a proximity regularization term that encourages staying close to the unaligned model. Selecting an appropriate level of regularization is critical: insufficient regularization can lead to reduced model capabilities due to reward hacking, whereas excessive regularization hinders alignment. Traditional methods for finding the optimal regularization level require retraining multiple models with varying regularization strengths. This process, however, is resource-intensive, especially for large models. To address this challenge, we propose decoding-time realignment (DeRa), a simple method to explore and evaluate different regularization strengths in aligned models without retraining. DeRa enables control over the degree of alignment, allowing users to smoothly transition between unaligned and aligned models. It also enhances the efficiency of hyperparameter tuning by enabling the identification of effective regularization strengths using a validation dataset.

Masked video modeling, such as VideoMAE, is an effective paradigm for video self-supervised learning (SSL). However, they are primarily based on reconstructing pixel-level details on natural videos which have substantial temporal redundancy, limiting their capability for semantic representation and sufficient encoding of motion dynamics. To address these issues, this paper introduces a novel SSL approach for video representation learning, dubbed as SMILE, by infusing both spatial and motion semantics. In SMILE, we leverage image-language pretrained models, such as CLIP, to guide the learning process with their high-level spatial semantics. We enhance the representation of motion by introducing synthetic motion patterns in the training data, allowing the model to capture more complex and dynamic content. Furthermore, using SMILE, we establish a new self-supervised video learning paradigm capable of learning strong video representations without requiring any natural video data. We have carried out extensive experiments on 7 datasets with various downstream scenarios. SMILE surpasses current state-of-the-art SSL methods, showcasing its effectiveness in learning more discriminative and generalizable video representations. Code is available: https://github.com/fmthoker/SMILE

Large language models (LLMs) are increasingly recognized as powerful tools for scientific discovery, particularly in molecular science. A fundamental requirement for these models is the ability to accurately understand molecular structures, commonly encoded in the SMILES representation. However, current LLMs struggle to interpret SMILES, even failing to carry out basic tasks such as counting molecular rings. To address this limitation, we introduce CLEANMOL, a novel framework that formulates SMILES parsing into a suite of clean and deterministic tasks explicitly designed to promote graph-level molecular comprehension. These tasks span from subgraph matching to global graph matching, providing structured supervision aligned with molecular structural properties. We construct a molecular pretraining dataset with adaptive difficulty scoring and pre-train open-source LLMs on these tasks. Our results show that CLEANMOL not only enhances structural comprehension but also achieves the best or competes with the baseline on the Mol-Instructions benchmark.

Vivid talking face generation holds immense potential applications across diverse multimedia domains, such as film and game production. While existing methods accurately synchronize lip movements with input audio, they typically ignore crucial alignments between emotion and facial cues, which include expression, gaze, and head pose. These alignments are indispensable for synthesizing realistic videos. To address these issues, we propose a two-stage audio-driven talking face generation framework that employs 3D facial landmarks as intermediate variables. This framework achieves collaborative alignment of expression, gaze, and pose with emotions through self-supervised learning. Specifically, we decompose this task into two key steps, namely speech-to-landmarks synthesis and landmarks-to-face generation. The first step focuses on simultaneously synthesizing emotionally aligned facial cues, including normalized landmarks that represent expressions, gaze, and head pose. These cues are subsequently reassembled into relocated facial landmarks. In the second step, these relocated landmarks are mapped to latent key points using self-supervised learning and then input into a pretrained model to create high-quality face images. Extensive experiments on the MEAD dataset demonstrate that our model significantly advances the state-of-the-art performance in both visual quality and emotional alignment.

Dental caries is one of the most common oral diseases that, if left untreated, can lead to a variety of oral problems. It mainly occurs inside the pits and fissures on the occlusal/buccal/palatal surfaces of molars and children are a high-risk group for pit and fissure caries in permanent molars. Pit and fissure sealing is one of the most effective methods that is widely used in prevention of pit and fissure caries. However, current detection of pits and fissures or caries depends primarily on the experienced dentists, which ordinary parents do not have, and children may miss the remedial treatment without timely detection. To address this issue, we present a method to autodetect caries and pit and fissure sealing requirements using oral photos taken by smartphones. We use the YOLOv5 and YOLOX models and adopt a tiling strategy to reduce information loss during image pre-processing. The best result for YOLOXs model with tiling strategy is 72.3 mAP.5, while the best result without tiling strategy is 71.2. YOLOv5s6 model with/without tiling attains 70.9/67.9 mAP.5, respectively. We deploy the pre-trained network to mobile devices as a WeChat applet, allowing in-home detection by parents or children guardian.

Diagnosing dental diseases from radiographs is time-consuming and challenging due to the subtle nature of diagnostic evidence. Existing methods, which rely on object detection models designed for natural images with more distinct target patterns, struggle to detect dental diseases that present with far less visual support. To address this challenge, we propose {\bf DentalX}, a novel context-aware dental disease detection approach that leverages oral structure information to mitigate the visual ambiguity inherent in radiographs. Specifically, we introduce a structural context extraction module that learns an auxiliary task: semantic segmentation of dental anatomy. The module extracts meaningful structural context and integrates it into the primary disease detection task to enhance the detection of subtle dental diseases. Extensive experiments on a dedicated benchmark demonstrate that DentalX significantly outperforms prior methods in both tasks. This mutual benefit arises naturally during model optimization, as the correlation between the two tasks is effectively captured. Our code is available at https://github.com/zhiqin1998/DentYOLOX.

Large Language Models (LLMs) are expected to produce safe, helpful, and honest content during interaction with human users, but they frequently fail to align with such values when given flawed instructions, e.g., missing context, ambiguous directives, or inappropriate tone, leaving substantial room for improvement along multiple dimensions. A cost-effective yet high-impact way is to pre-align instructions before the model begins decoding. Existing approaches either rely on prohibitive test-time search costs or end-to-end model rewrite, which is powered by a customized training corpus with unclear objectives. In this work, we demonstrate that the goal of efficient and effective preference alignment can be achieved by P-Aligner, a lightweight module generating instructions that preserve the original intents while being expressed in a more human-preferred form. P-Aligner is trained on UltraPrompt, a new dataset synthesized via a proposed principle-guided pipeline using Monte-Carlo Tree Search, which systematically explores the space of candidate instructions that are closely tied to human preference. Experiments across different methods show that P-Aligner generally outperforms strong baselines across various models and benchmarks, including average win-rate gains of 28.35% and 8.69% on GPT-4-turbo and Gemma-2-SimPO, respectively. Further analyses validate its effectiveness and efficiency through multiple perspectives, including data quality, search strategies, iterative deployment, and time overhead.

In modern large language models (LLMs), LLM alignment is of crucial importance and is typically achieved through methods such as reinforcement learning from human feedback (RLHF) and direct preference optimization (DPO). However, in most existing methods for LLM alignment, all tokens in the response are optimized using a sparse, response-level reward or preference annotation. The ignorance of token-level rewards may erroneously punish high-quality tokens or encourage low-quality tokens, resulting in suboptimal performance and slow convergence speed. To address this issue, we propose AlignDistil, an RLHF-equivalent distillation method for token-level reward optimization. Specifically, we introduce the reward learned by DPO into the RLHF objective and theoretically prove the equivalence between this objective and a token-level distillation process, where the teacher distribution linearly combines the logits from the DPO model and a reference model. On this basis, we further bridge the accuracy gap between the reward from the DPO model and the pure reward model, by building a contrastive DPO reward with a normal and a reverse DPO model. Moreover, to avoid under- and over-optimization on different tokens, we design a token adaptive logit extrapolation mechanism to construct an appropriate teacher distribution for each token. Experimental results demonstrate the superiority of our AlignDistil over existing methods and showcase fast convergence due to its token-level distributional reward optimization.

Big models, exemplified by Large Language Models (LLMs), are models typically pre-trained on massive data and comprised of enormous parameters, which not only obtain significantly improved performance across diverse tasks but also present emergent capabilities absent in smaller models. However, the growing intertwining of big models with everyday human lives poses potential risks and might cause serious social harm. Therefore, many efforts have been made to align LLMs with humans to make them better follow user instructions and satisfy human preferences. Nevertheless, `what to align with' has not been fully discussed, and inappropriate alignment goals might even backfire. In this paper, we conduct a comprehensive survey of different alignment goals in existing work and trace their evolution paths to help identify the most essential goal. Particularly, we investigate related works from two perspectives: the definition of alignment goals and alignment evaluation. Our analysis encompasses three distinct levels of alignment goals and reveals a goal transformation from fundamental abilities to value orientation, indicating the potential of intrinsic human values as the alignment goal for enhanced LLMs. Based on such results, we further discuss the challenges of achieving such intrinsic value alignment and provide a collection of available resources for future research on the alignment of big models.

In this work, we focused on deep learning image processing in the context of oral rare diseases, which pose challenges due to limited data availability. A crucial step involves teeth detection, segmentation and numbering in panoramic radiographs. To this end, we used a dataset consisting of 156 panoramic radiographs from individuals with rare oral diseases and labeled by experts. We trained the Detection Transformer (DETR) neural network for teeth detection, segmentation, and numbering the 52 teeth classes. In addition, we used data augmentation techniques, including geometric transformations. Finally, we generated new panoramic images using inpainting techniques with stable diffusion, by removing teeth from a panoramic radiograph and integrating teeth into it. The results showed a mAP exceeding 0,69 for DETR without data augmentation. The mAP was improved to 0,82 when data augmentation techniques are used. Furthermore, we observed promising performances when using new panoramic radiographs generated with inpainting technique, with mAP of 0,76.

Recent studies have demonstrated significant progress in aligning text-to-image diffusion models with human preference via Reinforcement Learning from Human Feedback. However, while existing methods achieve high scores on automated reward metrics, they often lead to Preference Mode Collapse (PMC)-a specific form of reward hacking where models converge on narrow, high-scoring outputs (e.g., images with monolithic styles or pervasive overexposure), severely degrading generative diversity. In this work, we introduce and quantify this phenomenon, proposing DivGenBench, a novel benchmark designed to measure the extent of PMC. We posit that this collapse is driven by over-optimization along the reward model's inherent biases. Building on this analysis, we propose Directional Decoupling Alignment (D^2-Align), a novel framework that mitigates PMC by directionally correcting the reward signal. Specifically, our method first learns a directional correction within the reward model's embedding space while keeping the model frozen. This correction is then applied to the reward signal during the optimization process, preventing the model from collapsing into specific modes and thereby maintaining diversity. Our comprehensive evaluation, combining qualitative analysis with quantitative metrics for both quality and diversity, reveals that D^2-Align achieves superior alignment with human preference.

Aligning molecular sequence representations (e.g., SMILES notations) with textual descriptions is critical for applications spanning drug discovery, materials design, and automated chemical literature analysis. Existing methodologies typically treat molecular captioning (molecule-to-text) and text-based molecular design (text-to-molecule) as separate tasks, relying on supervised fine-tuning or contrastive learning pipelines. These approaches face three key limitations: (i) conventional metrics like BLEU prioritize linguistic fluency over chemical accuracy, (ii) training datasets frequently contain chemically ambiguous narratives with incomplete specifications, and (iii) independent optimization of generation directions leads to bidirectional inconsistency. To address these issues, we propose RTMol, a bidirectional alignment framework that unifies molecular captioning and text-to-SMILES generation through self-supervised round-trip learning. The framework introduces novel round-trip evaluation metrics and enables unsupervised training for molecular captioning without requiring paired molecule-text corpora. Experiments demonstrate that RTMol enhances bidirectional alignment performance by up to 47% across various LLMs, establishing an effective paradigm for joint molecule-text understanding and generation.

Accurate segmentation of teeth and pulp in Cone-Beam Computed Tomography (CBCT) is vital for clinical applications like treatment planning and diagnosis. However, this process requires extensive expertise and is exceptionally time-consuming, highlighting the critical need for automated algorithms that can effectively utilize unlabeled data. In this paper, we propose U-Mamba2-SSL, a novel semi-supervised learning framework that builds on the U-Mamba2 model and employs a multi-stage training strategy. The framework first pre-trains U-Mamba2 in a self-supervised manner using a disruptive autoencoder. It then leverages unlabeled data through consistency regularization, where we introduce input and feature perturbations to ensure stable model outputs. Finally, a pseudo-labeling strategy is implemented with a reduced loss weighting to minimize the impact of potential errors. U-Mamba2-SSL achieved an average score of 0.789 and a DSC of 0.917 on the hidden test set, achieving first place in Task 1 of the STSR 2025 challenge. The code is available at https://github.com/zhiqin1998/UMamba2.

Alignment techniques enable Large Language Models (LLMs) to generate outputs that align with human preferences and play a crucial role in their effectiveness. However, their impact often diminishes when applied to Small Language Models (SLMs), likely due to the limited capacity of these models. Instead of directly applying existing alignment techniques to SLMs, we propose to utilize a well-aligned teacher LLM to guide the alignment process for these models, thereby facilitating the transfer of the teacher's knowledge of human preferences to the student model. To achieve this, we first explore a straightforward approach, Dual-Constrained Knowledge Distillation (DCKD), that employs knowledge distillation with two KL-divergence constraints from the aligned teacher to the unaligned student. To further enhance the student's ability to distinguish between preferred and dispreferred responses, we then propose Advantage-Guided Distillation for Preference Alignment (ADPA), which leverages an advantage function from the aligned teacher to deliver more nuanced, distribution-level reward signals for the student's alignment. Our experimental results show that these two approaches appreciably improve the alignment of SLMs and narrow the performance gap with larger counterparts. Among them, ADPA demonstrates superior performance and achieves even greater effectiveness when integrated with DCKD. Our code is available at https://github.com/SLIT-AI/ADPA.

The alignment tuning process of large language models (LLMs) typically involves instruction learning through supervised fine-tuning (SFT) and preference tuning via reinforcement learning from human feedback (RLHF). A recent study, LIMA (Zhou et al. 2023), shows that using merely 1K examples for SFT can achieve significant alignment performance as well, suggesting that the effect of alignment tuning might be "superficial." This raises questions about how exactly the alignment tuning transforms a base LLM. We analyze the effect of alignment tuning by examining the token distribution shift between base LLMs and their aligned counterpart. Our findings reveal that base LLMs and their alignment-tuned versions perform nearly identically in decoding on the majority of token positions. Most distribution shifts occur with stylistic tokens. These direct evidence strongly supports the Superficial Alignment Hypothesis suggested by LIMA. Based on these findings, we rethink the alignment of LLMs by posing the research question: how effectively can we align base LLMs without SFT or RLHF? To address this, we introduce a simple, tuning-free alignment method, URIAL. URIAL achieves effective alignment purely through in-context learning (ICL) with base LLMs, requiring as few as three constant stylistic examples and a system prompt. We conduct a fine-grained and interpretable evaluation on a diverse set of examples, named JUST-EVAL-INSTRUCT. Results demonstrate that base LLMs with URIAL can match or even surpass the performance of LLMs aligned with SFT or SFT+RLHF. We show that the gap between tuning-free and tuning-based alignment methods can be significantly reduced through strategic prompting and ICL. Our findings on the superficial nature of alignment tuning and results with URIAL suggest that deeper analysis and theoretical understanding of alignment is crucial to future LLM research.