Daily Papers

Identifying the chemical structure from a graphical representation, or image, of a molecule is a challenging pattern recognition task that would greatly benefit drug development. Yet, existing methods for chemical structure recognition do not typically generalize well, and show diminished effectiveness when confronted with domains where data is sparse, or costly to generate, such as hand-drawn molecule images. To address this limitation, we propose a new chemical structure recognition tool that delivers state-of-the-art performance and can adapt to new domains with a limited number of data samples and supervision. Unlike previous approaches, our method provides atom-level localization, and can therefore segment the image into the different atoms and bonds. Our model is the first model to perform OCSR with atom-level entity detection with only SMILES supervision. Through rigorous and extensive benchmarking, we demonstrate the preeminence of our chemical structure recognition approach in terms of data efficiency, accuracy, and atom-level entity prediction.

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.

Two-dimensional (2D) Nuclear Magnetic Resonance (NMR) spectroscopy, particularly Heteronuclear Single Quantum Coherence (HSQC) spectroscopy, plays a critical role in elucidating molecular structures, interactions, and electronic properties. However, accurately interpreting 2D NMR data remains labor-intensive and error-prone, requiring highly trained domain experts, especially for complex molecules. Machine Learning (ML) holds significant potential in 2D NMR analysis by learning molecular representations and recognizing complex patterns from data. However, progress has been limited by the lack of large-scale and high-quality annotated datasets. In this work, we introduce 2DNMRGym, the first annotated experimental dataset designed for ML-based molecular representation learning in 2D NMR. It includes over 22,000 HSQC spectra, along with the corresponding molecular graphs and SMILES strings. Uniquely, 2DNMRGym adopts a surrogate supervision setup: models are trained using algorithm-generated annotations derived from a previously validated method and evaluated on a held-out set of human-annotated gold-standard labels. This enables rigorous assessment of a model's ability to generalize from imperfect supervision to expert-level interpretation. We provide benchmark results using a series of 2D and 3D GNN and GNN transformer models, establishing a strong foundation for future work. 2DNMRGym supports scalable model training and introduces a chemically meaningful benchmark for evaluating atom-level molecular representations in NMR-guided structural tasks. Our data and code is open-source and available on Huggingface and Github.

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

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.

Image captioning aims to describe visual content in natural language. As 'a picture is worth a thousand words', there could be various correct descriptions for an image. However, with maximum likelihood estimation as the training objective, the captioning model is penalized whenever its prediction mismatches with the label. For instance, when the model predicts a word expressing richer semantics than the label, it will be penalized and optimized to prefer more concise expressions, referred to as conciseness optimization. In contrast, predictions that are more concise than labels lead to richness optimization. Such conflicting optimization directions could eventually result in the model generating general descriptions. In this work, we introduce Semipermeable MaxImum Likelihood Estimation (SMILE), which allows richness optimization while blocking conciseness optimization, thus encouraging the model to generate longer captions with more details. Extensive experiments on two mainstream image captioning datasets MSCOCO and Flickr30K demonstrate that SMILE significantly enhances the descriptiveness of generated captions. We further provide in-depth investigations to facilitate a better understanding of how SMILE works.

Semi-supervised learning has become a compelling approach for 3D tooth segmentation from CBCT scans, where labeled data is minimal. However, existing methods still face two persistent challenges: limited corrective supervision in structurally ambiguous or mislabeled regions during supervised training and performance degradation caused by unreliable pseudo-labels on unlabeled data. To address these problems, we propose Region-Aware Instructive Learning (RAIL), a dual-group dual-student, semi-supervised framework. Each group contains two student models guided by a shared teacher network. By alternating training between the two groups, RAIL promotes intergroup knowledge transfer and collaborative region-aware instruction while reducing overfitting to the characteristics of any single model. Specifically, RAIL introduces two instructive mechanisms. Disagreement-Focused Supervision (DFS) Controller improves supervised learning by instructing predictions only within areas where student outputs diverge from both ground truth and the best student, thereby concentrating supervision on structurally ambiguous or mislabeled areas. In the unsupervised phase, Confidence-Aware Learning (CAL) Modulator reinforces agreement in regions with high model certainty while reducing the effect of low-confidence predictions during training. This helps prevent our model from learning unstable patterns and improves the overall reliability of pseudo-labels. Extensive experiments on four CBCT tooth segmentation datasets show that RAIL surpasses state-of-the-art methods under limited annotation. Our code will be available at https://github.com/Tournesol-Saturday/RAIL.

Realistic practice and tailored feedback are key processes for training peer counselors with clinical skills. However, existing mechanisms of providing feedback largely rely on human supervision. Peer counselors often lack mechanisms to receive detailed feedback from experienced mentors, making it difficult for them to support the large number of people with mental health issues who use peer counseling. Our work aims to leverage large language models to provide contextualized and multi-level feedback to empower peer counselors, especially novices, at scale. To achieve this, we co-design with a group of senior psychotherapy supervisors to develop a multi-level feedback taxonomy, and then construct a publicly available dataset with comprehensive feedback annotations of 400 emotional support conversations. We further design a self-improvement method on top of large language models to enhance the automatic generation of feedback. Via qualitative and quantitative evaluation with domain experts, we demonstrate that our method minimizes the risk of potentially harmful and low-quality feedback generation which is desirable in such high-stakes scenarios.

Multimodal Large Language Models (MLLMs) have exhibited immense potential across numerous medical specialties; yet, dentistry remains underexplored, in part due to limited domain-specific data, scarce dental expert annotations, insufficient modality-specific modeling, and challenges in reliability. In this paper, we present OralGPT-Omni, the first dental-specialized MLLM designed for comprehensive and trustworthy analysis across diverse dental imaging modalities and clinical tasks. To explicitly capture dentists' diagnostic reasoning, we construct TRACE-CoT, a clinically grounded chain-of-thought dataset that mirrors dental radiologists' decision-making processes. This reasoning supervision, combined with our proposed four-stage training paradigm, substantially strengthens the model's capacity for dental image understanding and analysis. In parallel, we introduce MMOral-Uni, the first unified multimodal benchmark for dental image analysis. It comprises 2,809 open-ended question-answer pairs spanning five modalities and five tasks, offering a comprehensive evaluation suite to date for MLLMs in digital dentistry. OralGPT-Omni achieves an overall score of 51.84 on the MMOral-Uni benchmark and 45.31 on the MMOral-OPG benchmark, dramatically outperforming the scores of GPT-5. Our work promotes intelligent dentistry and paves the way for future advances in dental image analysis. All code, benchmark, and models will be made publicly available.

How can "weak teacher models" such as average human annotators or existing AI systems, effectively supervise LLMs to improve performance on hard reasoning tasks, especially those that challenge and requires expertise or daily practice from the teacher models? In this paper, we seek for empirical answers to this question by investigating various data-driven strategies that offer supervision data at different quality levels upon tasks of varying complexity. Two intuitive strategies emerge for teacher models to provide supervision during alignment training: 1) using lower-quality supervision from complete tasks that match the difficulty of the target reasoning tasks, and 2) leveraging higher-quality supervision from easier subtasks that are less challenging. Interestingly, we find that even when the outcome error rate for hard task supervision is high (e.g., 90\%), training on such data can outperform perfectly correct supervision on easier subtasks on multiple hard math benchmarks. We further identify a more critical factor influencing training performance: step-wise error rates, which indicate the severity of errors in solutions. Specifically, training on hard task supervision with the same outcome error rates but disparate step-wise error rates can lead to a 30\% accuracy gap on MATH benchmark. Our results also reveal that supplementing hard task supervision with the corresponding subtask supervision can yield notable performance improvements than simply combining rephrased hard full task supervision, suggesting new avenues for data augmentation. Data and code are released at https://github.com/hexuan21/Weak-to-Strong.

In recent years, large language models have greatly improved in their ability to perform complex multi-step reasoning. However, even state-of-the-art models still regularly produce logical mistakes. To train more reliable models, we can turn either to outcome supervision, which provides feedback for a final result, or process supervision, which provides feedback for each intermediate reasoning step. Given the importance of training reliable models, and given the high cost of human feedback, it is important to carefully compare the both methods. Recent work has already begun this comparison, but many questions still remain. We conduct our own investigation, finding that process supervision significantly outperforms outcome supervision for training models to solve problems from the challenging MATH dataset. Our process-supervised model solves 78% of problems from a representative subset of the MATH test set. Additionally, we show that active learning significantly improves the efficacy of process supervision. To support related research, we also release PRM800K, the complete dataset of 800,000 step-level human feedback labels used to train our best reward model.

Smiles and laughs detection systems have attracted a lot of attention in the past decade contributing to the improvement of human-agent interaction systems. But very few considered these expressions as distinct, although no prior work clearly proves them to belong to the same category or not. In this work, we present a deep learning-based multimodal smile and laugh classification system, considering them as two different entities. We compare the use of audio and vision-based models as well as a fusion approach. We show that, as expected, the fusion leads to a better generalization on unseen data. We also present an in-depth analysis of the behavior of these models on the smiles and laughs intensity levels. The analyses on the intensity levels show that the relationship between smiles and laughs might not be as simple as a binary one or even grouping them in a single category, and so, a more complex approach should be taken when dealing with them. We also tackle the problem of limited resources by showing that transfer learning allows the models to improve the detection of confusing intensity levels.

AI-driven discovery can greatly reduce design time and enhance new therapeutics' effectiveness. Models using simulators explore broad design spaces but risk violating implicit constraints due to a lack of experimental priors. For example, in a new analysis we performed on a diverse set of models on the GuacaMol benchmark using supervised classifiers, over 60\% of molecules proposed had high probability of being mutagenic. In this work, we introduce \ourdataset, a dataset of priors for design problems extracted from literature describing compounds used in lab settings. It is constructed with LLM pipelines for discovering therapeutic entities in relevant paragraphs and summarizing information in concise fair-use facts. \ourdataset~ consists of 32.3 million pairs of natural language facts, and appropriate entity representations (i.e. SMILES or refseq IDs). To demonstrate the potential of the data, we train LLM, CLIP, and LLava architectures to reason jointly about text and design targets and evaluate on tasks from the Therapeutic Data Commons (TDC). \ourdataset~is highly effective for creating models with strong priors: in supervised prediction problems that use our data as pretraining, our best models with 15M learnable parameters outperform larger 2B TxGemma on both regression and classification TDC tasks, and perform comparably to 9B models on average. Models built with \ourdataset~can be used as constraints while optimizing for novel molecules in GuacaMol, resulting in proposals that are safer and nearly as effective. We release our dataset at https://huggingface.co/datasets/medexanon/Medex{huggingface.co/datasets/medexanon/Medex}, and will provide expanded versions as available literature grows.

The simplified molecular-input line-entry system (SMILES) is the most popular representation of chemical compounds. Therefore, many SMILES-based molecular property prediction models have been developed. In particular, transformer-based models show promising performance because the model utilizes a massive chemical dataset for self-supervised learning. However, there is no transformer-based model to overcome the inherent limitations of SMILES, which result from the generation process of SMILES. In this study, we grammatically parsed SMILES to obtain connectivity between substructures and their type, which is called the grammatical knowledge of SMILES. First, we pretrained the transformers with substructural tokens, which were parsed from SMILES. Then, we used the training strategy 'same compound model' to better understand SMILES grammar. In addition, we injected knowledge of connectivity and type into the transformer with knowledge adapters. As a result, our representation model outperformed previous compound representations for the prediction of molecular properties. Finally, we analyzed the attention of the transformer model and adapters, demonstrating that the proposed model understands the grammar of SMILES.

In this paper, we propose R^3: Learning Reasoning through Reverse Curriculum Reinforcement Learning (RL), a novel method that employs only outcome supervision to achieve the benefits of process supervision for large language models. The core challenge in applying RL to complex reasoning is to identify a sequence of actions that result in positive rewards and provide appropriate supervision for optimization. Outcome supervision provides sparse rewards for final results without identifying error locations, whereas process supervision offers step-wise rewards but requires extensive manual annotation. R^3 overcomes these limitations by learning from correct demonstrations. Specifically, R^3 progressively slides the start state of reasoning from a demonstration's end to its beginning, facilitating easier model exploration at all stages. Thus, R^3 establishes a step-wise curriculum, allowing outcome supervision to offer step-level signals and precisely pinpoint errors. Using Llama2-7B, our method surpasses RL baseline on eight reasoning tasks by 4.1 points on average. Notebaly, in program-based reasoning on GSM8K, it exceeds the baseline by 4.2 points across three backbone models, and without any extra data, Codellama-7B + R^3 performs comparable to larger models or closed-source models.

Recent work has shown that asking language models to generate reasoning steps improves performance on many reasoning tasks. When moving beyond prompting, this raises the question of how we should supervise such models: outcome-based approaches which supervise the final result, or process-based approaches which supervise the reasoning process itself? Differences between these approaches might naturally be expected not just in final-answer errors but also in reasoning errors, which can be difficult to detect and are problematic in many real-world domains such as education. We run the first comprehensive comparison between process- and outcome-based approaches trained on a natural language task, GSM8K. We find that pure outcome-based supervision produces similar final-answer error rates with less label supervision. However, for correct reasoning steps we find it necessary to use process-based supervision or supervision from learned reward models that emulate process-based feedback. In total, we improve the previous best results from 16.8% to 12.7% final-answer error and 14.0% to 3.4% reasoning error among final-answer-correct solutions.

Generative pre-trained Transformer (GPT) has demonstrates its great success in natural language processing and related techniques have been adapted into molecular modeling. Considering that text is the most important record for scientific discovery, in this paper, we propose MolXPT, a unified language model of text and molecules pre-trained on SMILES (a sequence representation of molecules) wrapped by text. Briefly, we detect the molecule names in each sequence and replace them to the corresponding SMILES. In this way, the SMILES could leverage the information from surrounding text, and vice versa. The above wrapped sequences, text sequences from PubMed and SMILES sequences from PubChem are all fed into a language model for pre-training. Experimental results demonstrate that MolXPT outperforms strong baselines of molecular property prediction on MoleculeNet, performs comparably to the best model in text-molecule translation while using less than half of its parameters, and enables zero-shot molecular generation without finetuning.

In drug-discovery-related tasks such as virtual screening, machine learning is emerging as a promising way to predict molecular properties. Conventionally, molecular fingerprints (numerical representations of molecules) are calculated through rule-based algorithms that map molecules to a sparse discrete space. However, these algorithms perform poorly for shallow prediction models or small datasets. To address this issue, we present SMILES Transformer. Inspired by Transformer and pre-trained language models from natural language processing, SMILES Transformer learns molecular fingerprints through unsupervised pre-training of the sequence-to-sequence language model using a huge corpus of SMILES, a text representation system for molecules. We performed benchmarks on 10 datasets against existing fingerprints and graph-based methods and demonstrated the superiority of the proposed algorithms in small-data settings where pre-training facilitated good generalization. Moreover, we define a novel metric to concurrently measure model accuracy and data efficiency.

Automatically generating training supervision for embodied tasks is crucial, as manual designing is tedious and not scalable. While prior works use large language models (LLMs) or vision-language models (VLMs) to generate rewards, these approaches are largely limited to simple tasks with well-defined rewards, such as pick-and-place. This limitation arises because LLMs struggle to interpret complex scenes compressed into text or code due to their restricted input modality, while VLM-based rewards, though better at visual perception, remain limited by their less expressive output modality. To address these challenges, we leverage the imagination capability of general-purpose video generation models. Given an initial simulation frame and a textual task description, the video generation model produces a video demonstrating task completion with correct semantics. We then extract rich supervisory signals from the generated video, including 6D object pose sequences, 2D segmentations, and estimated depth, to facilitate task learning in simulation. Our approach significantly improves supervision quality for complex embodied tasks, enabling large-scale training in simulators.

We propose a Long Short-Term Memory (LSTM) with attention mechanism to classify psychological stress from self-conducted interview transcriptions. We apply distant supervision by automatically labeling tweets based on their hashtag content, which complements and expands the size of our corpus. This additional data is used to initialize the model parameters, and which it is fine-tuned using the interview data. This improves the model's robustness, especially by expanding the vocabulary size. The bidirectional LSTM model with attention is found to be the best model in terms of accuracy (74.1%) and f-score (74.3%). Furthermore, we show that distant supervision fine-tuning enhances the model's performance by 1.6% accuracy and 2.1% f-score. The attention mechanism helps the model to select informative words.

NLP tasks are often limited by scarcity of manually annotated data. In social media sentiment analysis and related tasks, researchers have therefore used binarized emoticons and specific hashtags as forms of distant supervision. Our paper shows that by extending the distant supervision to a more diverse set of noisy labels, the models can learn richer representations. Through emoji prediction on a dataset of 1246 million tweets containing one of 64 common emojis we obtain state-of-the-art performance on 8 benchmark datasets within sentiment, emotion and sarcasm detection using a single pretrained model. Our analyses confirm that the diversity of our emotional labels yield a performance improvement over previous distant supervision approaches.

Despite the recent advances of the artificial intelligence, building social intelligence remains a challenge. Among social signals, laughter is one of the distinctive expressions that occurs during social interactions between humans. In this work, we tackle a new challenge for machines to understand the rationale behind laughter in video, Video Laugh Reasoning. We introduce this new task to explain why people laugh in a particular video and a dataset for this task. Our proposed dataset, SMILE, comprises video clips and language descriptions of why people laugh. We propose a baseline by leveraging the reasoning capacity of large language models (LLMs) with textual video representation. Experiments show that our baseline can generate plausible explanations for laughter. We further investigate the scalability of our baseline by probing other video understanding tasks and in-the-wild videos. We release our dataset, code, and model checkpoints on https://github.com/SMILE-data/SMILE.

Trained machine learning models are increasingly used to perform high-impact tasks in areas such as law enforcement, medicine, education, and employment. In order to clarify the intended use cases of machine learning models and minimize their usage in contexts for which they are not well suited, we recommend that released models be accompanied by documentation detailing their performance characteristics. In this paper, we propose a framework that we call model cards, to encourage such transparent model reporting. Model cards are short documents accompanying trained machine learning models that provide benchmarked evaluation in a variety of conditions, such as across different cultural, demographic, or phenotypic groups (e.g., race, geographic location, sex, Fitzpatrick skin type) and intersectional groups (e.g., age and race, or sex and Fitzpatrick skin type) that are relevant to the intended application domains. Model cards also disclose the context in which models are intended to be used, details of the performance evaluation procedures, and other relevant information. While we focus primarily on human-centered machine learning models in the application fields of computer vision and natural language processing, this framework can be used to document any trained machine learning model. To solidify the concept, we provide cards for two supervised models: One trained to detect smiling faces in images, and one trained to detect toxic comments in text. We propose model cards as a step towards the responsible democratization of machine learning and related AI technology, increasing transparency into how well AI technology works. We hope this work encourages those releasing trained machine learning models to accompany model releases with similar detailed evaluation numbers and other relevant documentation.

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.

Complex multi-step reasoning tasks, such as solving mathematical problems or generating code, remain a significant hurdle for even the most advanced large language models (LLMs). Verifying LLM outputs with an Outcome Reward Model (ORM) is a standard inference-time technique aimed at enhancing the reasoning performance of LLMs. However, this still proves insufficient for reasoning tasks with a lengthy or multi-hop reasoning chain, where the intermediate outcomes are neither properly rewarded nor penalized. Process supervision addresses this limitation by assigning intermediate rewards during the reasoning process. To date, the methods used to collect process supervision data have relied on either human annotation or per-step Monte Carlo estimation, both prohibitively expensive to scale, thus hindering the broad application of this technique. In response to this challenge, we propose a novel divide-and-conquer style Monte Carlo Tree Search (MCTS) algorithm named OmegaPRM for the efficient collection of high-quality process supervision data. This algorithm swiftly identifies the first error in the Chain of Thought (CoT) with binary search and balances the positive and negative examples, thereby ensuring both efficiency and quality. As a result, we are able to collect over 1.5 million process supervision annotations to train a Process Reward Model (PRM). Utilizing this fully automated process supervision alongside the weighted self-consistency algorithm, we have enhanced the instruction tuned Gemini Pro model's math reasoning performance, achieving a 69.4\% success rate on the MATH benchmark, a 36\% relative improvement from the 51\% base model performance. Additionally, the entire process operates without any human intervention, making our method both financially and computationally cost-effective compared to existing methods.

Self-supervised learning has attracted plenty of recent research interest. However, most works for self-supervision in speech are typically unimodal and there has been limited work that studies the interaction between audio and visual modalities for cross-modal self-supervision. This work (1) investigates visual self-supervision via face reconstruction to guide the learning of audio representations; (2) proposes an audio-only self-supervision approach for speech representation learning; (3) shows that a multi-task combination of the proposed visual and audio self-supervision is beneficial for learning richer features that are more robust in noisy conditions; (4) shows that self-supervised pretraining can outperform fully supervised training and is especially useful to prevent overfitting on smaller sized datasets. We evaluate our learned audio representations for discrete emotion recognition, continuous affect recognition and automatic speech recognition. We outperform existing self-supervised methods for all tested downstream tasks. Our results demonstrate the potential of visual self-supervision for audio feature learning and suggest that joint visual and audio self-supervision leads to more informative audio representations for speech and emotion recognition.

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.

The recent advancements in artificial intelligence highlight the potential of language models in psychological health support. While models trained on data from mental health service platform have achieved preliminary success, challenges persist in areas such as data scarcity, quality, and ensuring a solid foundation in psychological techniques. To address these challenges, this study introduces a novel approach to enhance the precision and efficacy of psychological support through large language models. Specifically, we design a specific prompt derived from principles of Cognitive Behavioral Therapy (CBT) and have generated the CBT QA dataset, specifically for Chinese psychological health Q&A based on CBT structured intervention strategies. Unlike previous methods, our dataset emphasizes professional and structured response. Utilizing this dataset, we fine-tuned the large language model, giving birth to CBT-LLM, the large-scale language model specifically designed for Cognitive Behavioral Therapy techniques. Empirical evaluations demonstrate that CBT-LLM excels in generating structured, professional, and highly relevant responses in psychological health support tasks, showcasing its practicality and quality. The model is available on Hugging Face: https://huggingface.co/Hongbin37/CBT-LLM.

Process Reward Models (PRMs) provide step-level supervision that improves the reliability of reasoning in large language models. While PRMs have been extensively studied in text-based domains, their extension to Vision Language Models (VLMs) remains limited. Existing Vision-Language PRMs (VL-PRMs) rely on Monte Carlo Tree Search (MCTS) for data construction, which can often produce noisy supervision signals and limit generalization across tasks. In this work, we aim to elucidate the design space of VL-PRMs by exploring diverse strategies for dataset construction, training, and test-time scaling. First, we introduce a hybrid data synthesis framework that combines MCTS with judgments from a strong VLM, producing more accurate step-level labels. Second, we propose perception-focused supervision, enabling our PRM to explicitly detect errors at the visual grounding stage of reasoning. Third, we systematically evaluate multiple test-time scaling strategies, showing that our PRMs can reliably guide VLMs toward more accurate solutions. Our experiments covering five diverse multimodal benchmarks (MMMU, PuzzleVQA, AlgoPuzzleVQA, MathVista, and MathVision) reveal several key insights: (i) VL-PRMs when used as Outcome Reward Models (ORMs) during test-time scaling (TTS) can outperform VL-PRM guided process step selection, (ii) smaller VL-PRMs can match or even surpass larger ones in detecting process errors, (iii) VL-PRMs uncover latent reasoning abilities in stronger VLM backbones, (iv) perception-level supervision leads to significant gains in test-time scaling, and (v) TTS performance of different policies improve on advanced math reasoning datasets despite not training VL-PRMs on such datasets. We hope our work will motivate further research and support the advancement of VLMs.

Knowledge of mixtures' phase equilibria is crucial in nature and technical chemistry. Phase equilibria calculations of mixtures require activity coefficients. However, experimental data on activity coefficients is often limited due to high cost of experiments. For an accurate and efficient prediction of activity coefficients, machine learning approaches have been recently developed. However, current machine learning approaches still extrapolate poorly for activity coefficients of unknown molecules. In this work, we introduce the SMILES-to-Properties-Transformer (SPT), a natural language processing network to predict binary limiting activity coefficients from SMILES codes. To overcome the limitations of available experimental data, we initially train our network on a large dataset of synthetic data sampled from COSMO-RS (10 Million data points) and then fine-tune the model on experimental data (20 870 data points). This training strategy enables SPT to accurately predict limiting activity coefficients even for unknown molecules, cutting the mean prediction error in half compared to state-of-the-art models for activity coefficient predictions such as COSMO-RS, UNIFAC, and improving on recent machine learning approaches.

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.

Generative models have surged in popularity recently due to their ability to produce high-quality images and video. However, steering these models to produce images with specific attributes and precise control remains challenging. Humans, particularly their faces, are central to content generation due to their ability to convey rich expressions and intent. Current generative models mostly generate flat neutral expressions and characterless smiles without authenticity. Other basic expressions like anger are possible, but are limited to the stereotypical expression, while other unconventional facial expressions like doubtful are difficult to reliably generate. In this work, we propose the use of AUs (action units) for facial expression control in face generation. AUs describe individual facial muscle movements based on facial anatomy, allowing precise and localized control over the intensity of facial movements. By combining different action units, we unlock the ability to create unconventional facial expressions that go beyond typical emotional models, enabling nuanced and authentic reactions reflective of real-world expressions. The proposed method can be seamlessly integrated with both text and image prompts using adapters, offering precise and intuitive control of the generated results. Code and dataset are available in {https://github.com/tvaranka/fineface}.

The advancement of artificial intelligence in oral healthcare relies on the availability of large-scale multimodal datasets that capture the complexity of clinical practice. In this paper, we present a comprehensive multimodal dataset, comprising 8775 dental checkups from 4800 patients collected over eight years (2018-2025), with patients ranging from 10 to 90 years of age. The dataset includes 50000 intraoral images, 8056 radiographs, and detailed textual records, including diagnoses, treatment plans, and follow-up notes. The data were collected under standard ethical guidelines and annotated for benchmarking. To demonstrate its utility, we fine-tuned state-of-the-art large vision-language models, Qwen-VL 3B and 7B, and evaluated them on two tasks: classification of six oro-dental anomalies and generation of complete diagnostic reports from multimodal inputs. We compared the fine-tuned models with their base counterparts and GPT-4o. The fine-tuned models achieved substantial gains over these baselines, validating the dataset and underscoring its effectiveness in advancing AI-driven oro-dental healthcare solutions. The dataset is publicly available, providing an essential resource for future research in AI dentistry.

Large pretrained models such as GPT-3 have had tremendous impact on modern natural language processing by leveraging self-supervised learning to learn salient representations that can be used to readily finetune on a wide variety of downstream tasks. We investigate the possibility of transferring such advances to molecular machine learning by building a chemical foundation model, ChemBERTa-2, using the language of SMILES. While labeled data for molecular prediction tasks is typically scarce, libraries of SMILES strings are readily available. In this work, we build upon ChemBERTa by optimizing the pretraining process. We compare multi-task and self-supervised pretraining by varying hyperparameters and pretraining dataset size, up to 77M compounds from PubChem. To our knowledge, the 77M set constitutes one of the largest datasets used for molecular pretraining to date. We find that with these pretraining improvements, we are competitive with existing state-of-the-art architectures on the MoleculeNet benchmark suite. We analyze the degree to which improvements in pretraining translate to improvement on downstream tasks.

Recently, it is shown that deploying a proper self-supervision is a prospective way to enhance the performance of supervised learning. Yet, the benefits of self-supervision are not fully exploited as previous pretext tasks are specialized for unsupervised representation learning. To this end, we begin by presenting three desirable properties for such auxiliary tasks to assist the supervised objective. First, the tasks need to guide the model to learn rich features. Second, the transformations involved in the self-supervision should not significantly alter the training distribution. Third, the tasks are preferred to be light and generic for high applicability to prior arts. Subsequently, to show how existing pretext tasks can fulfill these and be tailored for supervised learning, we propose a simple auxiliary self-supervision task, predicting localizable rotation (LoRot). Our exhaustive experiments validate the merits of LoRot as a pretext task tailored for supervised learning in terms of robustness and generalization capability. Our code is available at https://github.com/wjun0830/Localizable-Rotation.

Complex chemical structures, like drugs, are usually defined by SMILES strings as a sequence of molecules and bonds. These SMILES strings are used in different complex machine learning-based drug-related research and representation works. Escaping from complex representation, in this work, we pose a single question: What if we treat drug SMILES as conventional sentences and engage in text classification for drug classification? Our experiments affirm the possibility with very competitive scores. The study explores the notion of viewing each atom and bond as sentence components, employing basic NLP methods to categorize drug types, proving that complex problems can also be solved with simpler perspectives. The data and code are available here: https://github.com/azminewasi/Drug-Classification-NLP.

Process supervision enhances the performance of large language models in reasoning tasks by providing feedback at each step of chain-of-thought reasoning. However, due to the lack of effective process supervision methods, even advanced large language models are prone to logical errors and redundant reasoning. We claim that the effectiveness of process supervision significantly depends on both the accuracy and the length of reasoning chains. Moreover, we identify that these factors exhibit a nonlinear relationship with the overall reward score of the reasoning process. Inspired by these insights, we propose a novel process supervision paradigm, PSPO*, which systematically outlines the workflow from reward model training to policy optimization, and highlights the importance of nonlinear rewards in process supervision. Based on PSPO*, we develop the PSPO-WRS, which considers the number of reasoning steps in determining reward scores and utilizes an adjusted Weibull distribution for nonlinear reward shaping. Experimental results on six mathematical reasoning datasets demonstrate that PSPO-WRS consistently outperforms current mainstream models.

Common methods for aligning already-capable models with desired behavior rely on the ability of humans to provide supervision. However, future superhuman models will surpass the capability of humans. Therefore, humans will only be able to weakly supervise superhuman models. This expected deficiency of human evaluation would weaken the safety of future AI systems. Scalable oversight and weak-to-strong generalization are two complementary approaches to tackle this issue. In this paper, we attempt to combine the strengths of these two approaches to further improve alignment. Specifically, we investigate ways of improving human supervision with a strong pretrained model and then supervise the strong model with enhanced weak human supervision. To make iterative empirical progress, we consider an analogy: can we use a strong model to improve weak model supervision and then use it to supervise the strong model? We empirically test it by finetuning a small weak model on ground truth labels with the additional help from a large strong model, and then finetuning the strong model on labels generated by the weak model. We find that debate can assist a weak model in extracting trustworthy information from an untrustworthy strong model, which provides leverage as context on samples when training a weak model. We also show that an ensemble of weak models helps exploit long arguments generated by strong model debaters and obtain a more robust supervision estimate. Extensive experiments on the OpenAI weak-to-strong NLP benchmarks show that the combination approach leads to better alignment, which indicates that debate has the potential to help weak-to-strong generalization.

The detection of depression through non-verbal cues has gained significant attention. Previous research predominantly centred on identifying depression within the confines of controlled laboratory environments, often with the supervision of psychologists or counsellors. Unfortunately, datasets generated in such controlled settings may struggle to account for individual behaviours in real-life situations. In response to this limitation, we present the Extended D-vlog dataset, encompassing a collection of 1, 261 YouTube vlogs. Additionally, the emergence of large language models (LLMs) like GPT3.5, and GPT4 has sparked interest in their potential they can act like mental health professionals. Yet, the readiness of these LLM models to be used in real-life settings is still a concern as they can give wrong responses that can harm the users. We introduce a virtual agent serving as an initial contact for mental health patients, offering Cognitive Behavioral Therapy (CBT)-based responses. It comprises two core functions: 1. Identifying depression in individuals, and 2. Delivering CBT-based therapeutic responses. Our Mistral model achieved impressive scores of 70.1% and 30.9% for distortion assessment and classification, along with a Bert score of 88.7%. Moreover, utilizing the TVLT model on our Multimodal Extended D-vlog Dataset yielded outstanding results, with an impressive F1-score of 67.8%

In this paper, we address the challenge of procedure planning in instructional videos, aiming to generate coherent and task-aligned action sequences from start and end visual observations. Previous work has mainly relied on text-level supervision to bridge the gap between observed states and unobserved actions, but it struggles with capturing intricate temporal relationships among actions. Building on these efforts, we propose the Masked Temporal Interpolation Diffusion (MTID) model that introduces a latent space temporal interpolation module within the diffusion model. This module leverages a learnable interpolation matrix to generate intermediate latent features, thereby augmenting visual supervision with richer mid-state details. By integrating this enriched supervision into the model, we enable end-to-end training tailored to task-specific requirements, significantly enhancing the model's capacity to predict temporally coherent action sequences. Additionally, we introduce an action-aware mask projection mechanism to restrict the action generation space, combined with a task-adaptive masked proximity loss to prioritize more accurate reasoning results close to the given start and end states over those in intermediate steps. Simultaneously, it filters out task-irrelevant action predictions, leading to contextually aware action sequences. Experimental results across three widely used benchmark datasets demonstrate that our MTID achieves promising action planning performance on most metrics. The code is available at https://github.com/WiserZhou/MTID.

To be widely adopted, 3D facial avatars must be animated easily, realistically, and directly from speech signals. While the best recent methods generate 3D animations that are synchronized with the input audio, they largely ignore the impact of emotions on facial expressions. Realistic facial animation requires lip-sync together with the natural expression of emotion. To that end, we propose EMOTE (Expressive Model Optimized for Talking with Emotion), which generates 3D talking-head avatars that maintain lip-sync from speech while enabling explicit control over the expression of emotion. To achieve this, we supervise EMOTE with decoupled losses for speech (i.e., lip-sync) and emotion. These losses are based on two key observations: (1) deformations of the face due to speech are spatially localized around the mouth and have high temporal frequency, whereas (2) facial expressions may deform the whole face and occur over longer intervals. Thus, we train EMOTE with a per-frame lip-reading loss to preserve the speech-dependent content, while supervising emotion at the sequence level. Furthermore, we employ a content-emotion exchange mechanism in order to supervise different emotions on the same audio, while maintaining the lip motion synchronized with the speech. To employ deep perceptual losses without getting undesirable artifacts, we devise a motion prior in the form of a temporal VAE. Due to the absence of high-quality aligned emotional 3D face datasets with speech, EMOTE is trained with 3D pseudo-ground-truth extracted from an emotional video dataset (i.e., MEAD). Extensive qualitative and perceptual evaluations demonstrate that EMOTE produces speech-driven facial animations with better lip-sync than state-of-the-art methods trained on the same data, while offering additional, high-quality emotional control.

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.

Laughter is a unique expression, essential to affirmative social interactions of humans. Although current 3D talking head generation methods produce convincing verbal articulations, they often fail to capture the vitality and subtleties of laughter and smiles despite their importance in social context. In this paper, we introduce a novel task to generate 3D talking heads capable of both articulate speech and authentic laughter. Our newly curated dataset comprises 2D laughing videos paired with pseudo-annotated and human-validated 3D FLAME parameters and vertices. Given our proposed dataset, we present a strong baseline with a two-stage training scheme: the model first learns to talk and then acquires the ability to express laughter. Extensive experiments demonstrate that our method performs favorably compared to existing approaches in both talking head generation and expressing laughter signals. We further explore potential applications on top of our proposed method for rigging realistic avatars.

In this work, we focus on the task of procedure planning from instructional videos with text supervision, where a model aims to predict an action sequence to transform the initial visual state into the goal visual state. A critical challenge of this task is the large semantic gap between observed visual states and unobserved intermediate actions, which is ignored by previous works. Specifically, this semantic gap refers to that the contents in the observed visual states are semantically different from the elements of some action text labels in a procedure. To bridge this semantic gap, we propose a novel event-guided paradigm, which first infers events from the observed states and then plans out actions based on both the states and predicted events. Our inspiration comes from that planning a procedure from an instructional video is to complete a specific event and a specific event usually involves specific actions. Based on the proposed paradigm, we contribute an Event-guided Prompting-based Procedure Planning (E3P) model, which encodes event information into the sequential modeling process to support procedure planning. To further consider the strong action associations within each event, our E3P adopts a mask-and-predict approach for relation mining, incorporating a probabilistic masking scheme for regularization. Extensive experiments on three datasets demonstrate the effectiveness of our proposed model.

Despite recent advances in AI, the development of systems capable of executing complex, multi-step reasoning tasks involving multiple tools remains a significant challenge. Current benchmarks fall short in capturing the real-world complexity of tool-use reasoning, where verifying the correctness of not only the final answer but also the intermediate steps is important for evaluation, development, and identifying failures during inference time. To bridge this gap, we introduce ToolComp, a comprehensive benchmark designed to evaluate multi-step tool-use reasoning. ToolComp is developed through a collaboration between models and human annotators, featuring human-edited/verified prompts, final answers, and process supervision labels, allowing for the evaluation of both final outcomes and intermediate reasoning. Evaluation across six different model families demonstrates the challenging nature of our dataset, with the majority of models achieving less than 50% accuracy. Additionally, we generate synthetic training data to compare the performance of outcome-supervised reward models (ORMs) with process-supervised reward models (PRMs) to assess their ability to improve complex tool-use reasoning as evaluated by ToolComp. Our results show that PRMs generalize significantly better than ORMs, achieving a 19% and 11% improvement in rank@1 accuracy for ranking base and fine-tuned model trajectories, respectively. These findings highlight the critical role of process supervision in both the evaluation and training of AI models, paving the way for more robust and capable systems in complex, multi-step tool-use tasks.

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

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.

Widely used alignment techniques, such as reinforcement learning from human feedback (RLHF), rely on the ability of humans to supervise model behavior - for example, to evaluate whether a model faithfully followed instructions or generated safe outputs. However, future superhuman models will behave in complex ways too difficult for humans to reliably evaluate; humans will only be able to weakly supervise superhuman models. We study an analogy to this problem: can weak model supervision elicit the full capabilities of a much stronger model? We test this using a range of pretrained language models in the GPT-4 family on natural language processing (NLP), chess, and reward modeling tasks. We find that when we naively finetune strong pretrained models on labels generated by a weak model, they consistently perform better than their weak supervisors, a phenomenon we call weak-to-strong generalization. However, we are still far from recovering the full capabilities of strong models with naive finetuning alone, suggesting that techniques like RLHF may scale poorly to superhuman models without further work. We find that simple methods can often significantly improve weak-to-strong generalization: for example, when finetuning GPT-4 with a GPT-2-level supervisor and an auxiliary confidence loss, we can recover close to GPT-3.5-level performance on NLP tasks. Our results suggest that it is feasible to make empirical progress today on a fundamental challenge of aligning superhuman models.

Precise tracking of the jaw kinematics is crucial for diagnosing various musculoskeletal and neuromuscular diseases affecting the masticatory system and for advancing rehabilitative devices such as jaw exoskeletons, a hardly explored research field, to treat these disorders. We introduce an open-source, low-cost, precise, non-invasive, and biocompatible jaw tracking system based on optical motion capture technology to address the need for accessible and adaptable research tools. The system encompasses a complete pipeline from data acquisition, processing, and kinematic analysis to filtering, visualization, and data storage. We evaluated its performance and feasibility in experiments with four participants executing various jaw movements. The system demonstrated reliable kinematic tracking with an estimated precision of (182 pm 47) {mu}m and (0.126 pm 0.034) {deg}. Therefore, the open-source nature of the system and its utility comparable to commercial systems make it suitable for many research and development contexts, especially for applications such as the integration and design of jaw exoskeletons and customized diagnostic protocols. The complete system is available at GitHub with the aim of promoting innovation in temporomandibular disorders research and jaw assistive technology.

Process supervision, i.e., evaluating each step, is critical for complex large language model (LLM) reasoning and test-time searching with increased inference compute. Existing approaches, represented by process reward models (PRMs), primarily focus on rewarding signals up to the current step, exhibiting a one-directional nature and lacking a mechanism to model the distance to the final target. To address this problem, we draw inspiration from the A* algorithm, which states that an effective supervisory signal should simultaneously consider the incurred cost and the estimated cost for reaching the target. Building on this key insight, we introduce BiRM, a novel process supervision model that not only evaluates the correctness of previous steps but also models the probability of future success. We conduct extensive experiments on mathematical reasoning tasks and demonstrate that BiRM provides more precise evaluations of LLM reasoning steps, achieving an improvement of 3.1% on Gaokao2023 over PRM under the Best-of-N sampling method. Besides, in search-based strategies, BiRM provides more comprehensive guidance and outperforms ORM by 5.0% and PRM by 3.8% respectively on MATH-500.

Standard practice in pretraining multimodal models, such as vision-language models, is to rely on pairs of aligned inputs from both modalities, for example, aligned image-text pairs. However, such pairs can be difficult to obtain in low-resource settings and for some modality pairs (e.g., structured tables and images). In this work, we investigate the extent to which we can reduce the reliance on such parallel data, which we term bimodal supervision, and use models that are pretrained on each modality independently. We experiment with a high-performing vision-language model, and analyze the effect of bimodal supervision on three vision-language tasks. We find that on simpler tasks, such as VQAv2 and GQA, one can eliminate bimodal supervision completely, suffering only a minor loss in performance. Conversely, for NLVR2, which requires more complex reasoning, training without bimodal supervision leads to random performance. Nevertheless, using only 5\% of the bimodal data (142K images along with their captions), or leveraging weak supervision in the form of a list of machine-generated labels for each image, leads to only a moderate degradation compared to using 3M image-text pairs: 74\%rightarrowsim70\%. Our code is available at https://github.com/eladsegal/less-bimodal-sup.

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.

Millions of users come to online peer counseling platforms to seek support on diverse topics ranging from relationship stress to anxiety. However, studies show that online peer support groups are not always as effective as expected largely due to users' negative experiences with unhelpful counselors. Peer counselors are key to the success of online peer counseling platforms, but most of them often do not have systematic ways to receive guidelines or supervision. In this work, we introduce CARE: an interactive AI-based tool to empower peer counselors through automatic suggestion generation. During the practical training stage, CARE helps diagnose which specific counseling strategies are most suitable in the given context and provides tailored example responses as suggestions. Counselors can choose to select, modify, or ignore any suggestion before replying to the support seeker. Building upon the Motivational Interviewing framework, CARE utilizes large-scale counseling conversation data together with advanced natural language generation techniques to achieve these functionalities. We demonstrate the efficacy of CARE by performing both quantitative evaluations and qualitative user studies through simulated chats and semi-structured interviews. We also find that CARE especially helps novice counselors respond better in challenging situations.

Background: Human Emotion Recognition (HER) has been a popular field of study in the past years. Despite the great progresses made so far, relatively little attention has been paid to the use of HER in autism. People with autism are known to face problems with daily social communication and the prototypical interpretation of emotional responses, which are most frequently exerted via facial expressions. This poses significant practical challenges to the application of regular HER systems, which are normally developed for and by neurotypical people. Objective: This study reviews the literature on the use of HER systems in autism, particularly with respect to sensing technologies and machine learning methods, as to identify existing barriers and possible future directions. Methods: We conducted a systematic review of articles published between January 2011 and June 2023 according to the 2020 PRISMA guidelines. Manuscripts were identified through searching Web of Science and Scopus databases. Manuscripts were included when related to emotion recognition, used sensors and machine learning techniques, and involved children with autism, young, or adults. Results: The search yielded 346 articles. A total of 65 publications met the eligibility criteria and were included in the review. Conclusions: Studies predominantly used facial expression techniques as the emotion recognition method. Consequently, video cameras were the most widely used devices across studies, although a growing trend in the use of physiological sensors was observed lately. Happiness, sadness, anger, fear, disgust, and surprise were most frequently addressed. Classical supervised machine learning techniques were primarily used at the expense of unsupervised approaches or more recent deep learning models.

Facial expression captioning has found widespread application across various domains. Recently, the emergence of video Multimodal Large Language Models (MLLMs) has shown promise in general video understanding tasks. However, describing facial expressions within videos poses two major challenges for these models: (1) the lack of adequate datasets and benchmarks, and (2) the limited visual token capacity of video MLLMs. To address these issues, this paper introduces a new instruction-following dataset tailored for dynamic facial expression caption. The dataset comprises 5,033 high-quality video clips annotated manually, containing over 700,000 tokens. Its purpose is to improve the capability of video MLLMs to discern subtle facial nuances. Furthermore, we propose FaceTrack-MM, which leverages a limited number of tokens to encode the main character's face. This model demonstrates superior performance in tracking faces and focusing on the facial expressions of the main characters, even in intricate multi-person scenarios. Additionally, we introduce a novel evaluation metric combining event extraction, relation classification, and the longest common subsequence (LCS) algorithm to assess the content consistency and temporal sequence consistency of generated text. Moreover, we present FEC-Bench, a benchmark designed to assess the performance of existing video MLLMs in this specific task. All data and source code will be made publicly available.

Self-supervised learning is a promising paradigm in deep learning that enables learning from unlabeled data by constructing pretext tasks that require learning useful representations. In natural language processing, the dominant pretext task has been masked language modeling (MLM), while in computer vision there exists an equivalent called Masked Image Modeling (MIM). However, MIM is challenging because it requires predicting semantic content in accurate locations. E.g, given an incomplete picture of a dog, we can guess that there is a tail, but we cannot determine its exact location. In this work, we propose FlexPredict, a stochastic model that addresses this challenge by incorporating location uncertainty into the model. Specifically, we condition the model on stochastic masked token positions to guide the model toward learning features that are more robust to location uncertainties. Our approach improves downstream performance on a range of tasks, e.g, compared to MIM baselines, FlexPredict boosts ImageNet linear probing by 1.6% with ViT-B and by 2.5% for semi-supervised video segmentation using ViT-L.

Facial expression recognition (FER) is a critical task in multimedia with significant implications across various domains. However, analyzing the causes of facial expressions is essential for accurately recognizing them. Current approaches, such as those based on facial action units (AUs), typically provide AU names and intensities but lack insight into the interactions and relationships between AUs and the overall expression. In this paper, we propose a novel method called ExpLLM, which leverages large language models to generate an accurate chain of thought (CoT) for facial expression recognition. Specifically, we have designed the CoT mechanism from three key perspectives: key observations, overall emotional interpretation, and conclusion. The key observations describe the AU's name, intensity, and associated emotions. The overall emotional interpretation provides an analysis based on multiple AUs and their interactions, identifying the dominant emotions and their relationships. Finally, the conclusion presents the final expression label derived from the preceding analysis. Furthermore, we also introduce the Exp-CoT Engine, designed to construct this expression CoT and generate instruction-description data for training our ExpLLM. Extensive experiments on the RAF-DB and AffectNet datasets demonstrate that ExpLLM outperforms current state-of-the-art FER methods. ExpLLM also surpasses the latest GPT-4o in expression CoT generation, particularly in recognizing micro-expressions where GPT-4o frequently fails.

In this paper, we propose Evebot, an innovative, sequence to sequence (Seq2seq) based, fully generative conversational system for the diagnosis of negative emotions and prevention of depression through positively suggestive responses. The system consists of an assembly of deep-learning based models, including Bi-LSTM based model for detecting negative emotions of users and obtaining psychological counselling related corpus for training the chatbot, anti-language sequence to sequence neural network, and maximum mutual information (MMI) model. As adolescents are reluctant to show their negative emotions in physical interaction, traditional methods of emotion analysis and comforting methods may not work. Therefore, this system puts emphasis on using virtual platform to detect signs of depression or anxiety, channel adolescents' stress and mood, and thus prevent the emergence of mental illness. We launched the integrated chatbot system onto an online platform for real-world campus applications. Through a one-month user study, we observe better results in the increase in positivity than other public chatbots in the control group.

Speech-driven 3D facial animation has been widely explored, with applications in gaming, character animation, virtual reality, and telepresence systems. State-of-the-art methods deform the face topology of the target actor to sync the input audio without considering the identity-specific speaking style and facial idiosyncrasies of the target actor, thus, resulting in unrealistic and inaccurate lip movements. To address this, we present Imitator, a speech-driven facial expression synthesis method, which learns identity-specific details from a short input video and produces novel facial expressions matching the identity-specific speaking style and facial idiosyncrasies of the target actor. Specifically, we train a style-agnostic transformer on a large facial expression dataset which we use as a prior for audio-driven facial expressions. Based on this prior, we optimize for identity-specific speaking style based on a short reference video. To train the prior, we introduce a novel loss function based on detected bilabial consonants to ensure plausible lip closures and consequently improve the realism of the generated expressions. Through detailed experiments and a user study, we show that our approach produces temporally coherent facial expressions from input audio while preserving the speaking style of the target actors.

Self-supervised pretraining has made few-shot learning possible for many NLP tasks. But the pretraining objectives are not typically adapted specifically for in-context few-shot learning. In this paper, we propose to use self-supervision in an intermediate training stage between pretraining and downstream few-shot usage with the goal to teach the model to perform in-context few shot learning. We propose and evaluate four self-supervised objectives on two benchmarks. We find that the intermediate self-supervision stage produces models that outperform strong baselines. Ablation study shows that several factors affect the downstream performance, such as the amount of training data and the diversity of the self-supervised objectives. Human-annotated cross-task supervision and self-supervision are complementary. Qualitative analysis suggests that the self-supervised-trained models are better at following task requirements.

Large language models (LLMs) have demonstrated remarkable capabilities out of box for a wide range of applications, yet accuracy still remains a major growth area, especially in mission-critical domains such as biomedicine. An effective method to calibrate the confidence level on LLM responses is essential to automatically detect errors and facilitate human-in-the-loop verification. An important source of calibration signals stems from expert-stipulated programmatic supervision, which is often available at low cost but has its own limitations such as noise and coverage. In this paper, we introduce a Pareto optimal self-supervision framework that can leverage available programmatic supervision to systematically calibrate LLM responses by producing a risk score for every response, without any additional manual efforts. This is accomplished by learning a harmonizer model to align LLM output with other available supervision sources, which would assign higher risk scores to more uncertain LLM responses and facilitate error correction. Experiments on standard relation extraction tasks in biomedical and general domains demonstrate the promise of this approach, with our proposed risk scores highly correlated with the real error rate of LLMs. For the most uncertain test instances, dynamic prompting based on our proposed risk scores results in significant accuracy improvement for off-the-shelf LLMs, boosting GPT-3 results past state-of-the-art (SOTA) weak supervision and GPT-4 results past SOTA supervised results on challenging evaluation datasets.

Millions of people participate in online peer-to-peer support sessions, yet there has been little prior research on systematic psychology-based evaluations of fine-grained peer-counselor behavior in relation to client satisfaction. This paper seeks to bridge this gap by mapping peer-counselor chat-messages to motivational interviewing (MI) techniques. We annotate 14,797 utterances from 734 chat conversations using 17 MI techniques and introduce four new interviewing codes such as chit-chat and inappropriate to account for the unique conversational patterns observed on online platforms. We automate the process of labeling peer-counselor responses to MI techniques by fine-tuning large domain-specific language models and then use these automated measures to investigate the behavior of the peer counselors via correlational studies. Specifically, we study the impact of MI techniques on the conversation ratings to investigate the techniques that predict clients' satisfaction with their counseling sessions. When counselors use techniques such as reflection and affirmation, clients are more satisfied. Examining volunteer counselors' change in usage of techniques suggest that counselors learn to use more introduction and open questions as they gain experience. This work provides a deeper understanding of the use of motivational interviewing techniques on peer-to-peer counselor platforms and sheds light on how to build better training programs for volunteer counselors on online platforms.

Purpose: Face detection is a needed component for the automatic analysis and assistance of human activities during surgical procedures. Efficient face detection algorithms can indeed help to detect and identify the persons present in the room, and also be used to automatically anonymize the data. However, current algorithms trained on natural images do not generalize well to the operating room (OR) images. In this work, we provide a comparison of state-of-the-art face detectors on OR data and also present an approach to train a face detector for the OR by exploiting non-annotated OR images. Methods: We propose a comparison of 6 state-of-the-art face detectors on clinical data using Multi-View Operating Room Faces (MVOR-Faces), a dataset of operating room images capturing real surgical activities. We then propose to use self-supervision, a domain adaptation method, for the task of face detection in the OR. The approach makes use of non-annotated images to fine-tune a state-of-the-art detector for the OR without using any human supervision. Results: The results show that the best model, namely the tiny face detector, yields an average precision of 0.536 at Intersection over Union (IoU) of 0.5. Our self-supervised model using non-annotated clinical data outperforms this result by 9.2%. Conclusion: We present the first comparison of state-of-the-art face detectors on operating room images and show that results can be significantly improved by using self-supervision on non-annotated data.

Building upon large language models (LLMs), recent large multimodal models (LMMs) unify cross-model understanding and generation into a single framework. However, LMMs still struggle to achieve accurate image-text alignment, prone to generating text responses contradicting the visual input or failing to follow the text-to-image prompts. Current solutions require external supervision (e.g., human feedback or reward models) and only address unidirectional tasks-either understanding or generation. In this work, based on the observation that understanding and generation are inverse dual tasks, we introduce a self-supervised dual reward mechanism to reinforce the understanding and generation capabilities of LMMs. Specifically, we sample multiple outputs for a given input in one task domain, then reverse the input-output pairs to compute the dual likelihood of the model as self-rewards for optimization. Extensive experimental results on visual understanding and generation benchmarks demonstrate that our method can effectively enhance the performance of the model without any external supervision, especially achieving remarkable improvements in text-to-image tasks.

Facial expression datasets remain limited in scale due to the subjectivity of annotations and the labor-intensive nature of data collection. This limitation poses a significant challenge for developing modern deep learning-based facial expression analysis models, particularly foundation models, that rely on large-scale data for optimal performance. To tackle the overarching and complex challenge, instead of introducing a new large-scale dataset, we introduce SynFER (Synthesis of Facial Expressions with Refined Control), a novel synthetic framework for synthesizing facial expression image data based on high-level textual descriptions as well as more fine-grained and precise control through facial action units. To ensure the quality and reliability of the synthetic data, we propose a semantic guidance technique to steer the generation process and a pseudo-label generator to help rectify the facial expression labels for the synthetic images. To demonstrate the generation fidelity and the effectiveness of the synthetic data from SynFER, we conduct extensive experiments on representation learning using both synthetic data and real-world data. Results validate the efficacy of our approach and the synthetic data. Notably, our approach achieves a 67.23% classification accuracy on AffectNet when training solely with synthetic data equivalent to the AffectNet training set size, which increases to 69.84% when scaling up to five times the original size. Code is available here.

Current AI alignment methodologies rely on human-provided demonstrations or judgments, and the learned capabilities of AI systems would be upper-bounded by human capabilities as a result. This raises a challenging research question: How can we keep improving the systems when their capabilities have surpassed the levels of humans? This paper answers this question in the context of tackling hard reasoning tasks (e.g., level 4-5 MATH problems) via learning from human annotations on easier tasks (e.g., level 1-3 MATH problems), which we term as easy-to-hard generalization. Our key insight is that an evaluator (reward model) trained on supervisions for easier tasks can be effectively used for scoring candidate solutions of harder tasks and hence facilitating easy-to-hard generalization over different levels of tasks. Based on this insight, we propose a novel approach to scalable alignment, which firstly trains the process-supervised reward models on easy problems (e.g., level 1-3), and then uses them to evaluate the performance of policy models on hard problems. We show that such easy-to-hard generalization from evaluators can enable easy-to-hard generalizations in generators either through re-ranking or reinforcement learning (RL). Notably, our process-supervised 7b RL model achieves an accuracy of 34.0\% on MATH500, despite only using human supervision on easy problems. Our approach suggests a promising path toward AI systems that advance beyond the frontier of human supervision.

Automated computational analysis of the vast chemical space is critical for numerous fields of research such as drug discovery and material science. Representation learning techniques have recently been employed with the primary objective of generating compact and informative numerical expressions of complex data. One approach to efficiently learn molecular representations is processing string-based notations of chemicals via natural language processing (NLP) algorithms. Majority of the methods proposed so far utilize SMILES notations for this purpose; however, SMILES is associated with numerous problems related to validity and robustness, which may prevent the model from effectively uncovering the knowledge hidden in the data. In this study, we propose SELFormer, a transformer architecture-based chemical language model that utilizes a 100% valid, compact and expressive notation, SELFIES, as input, in order to learn flexible and high-quality molecular representations. SELFormer is pre-trained on two million drug-like compounds and fine-tuned for diverse molecular property prediction tasks. Our performance evaluation has revealed that, SELFormer outperforms all competing methods, including graph learning-based approaches and SMILES-based chemical language models, on predicting aqueous solubility of molecules and adverse drug reactions. We also visualized molecular representations learned by SELFormer via dimensionality reduction, which indicated that even the pre-trained model can discriminate molecules with differing structural properties. We shared SELFormer as a programmatic tool, together with its datasets and pre-trained models. Overall, our research demonstrates the benefit of using the SELFIES notations in the context of chemical language modeling and opens up new possibilities for the design and discovery of novel drug candidates with desired features.

Navigating certain communication situations can be challenging due to individuals' lack of skills and the interference of strong emotions. However, effective learning opportunities are rarely accessible. In this work, we conduct a human-centered study that uses language models to simulate bespoke communication training and provide just-in-time feedback to support the practice and learning of interpersonal effectiveness skills. We apply the interpersonal effectiveness framework from Dialectical Behavioral Therapy (DBT), DEAR MAN, which focuses on both conversational and emotional skills. We present IMBUE, an interactive training system that provides feedback 25% more similar to experts' feedback, compared to that generated by GPT-4. IMBUE is the first to focus on communication skills and emotion management simultaneously, incorporate experts' domain knowledge in providing feedback, and be grounded in psychology theory. Through a randomized trial of 86 participants, we find that IMBUE's simulation-only variant significantly improves participants' self-efficacy (up to 17%) and reduces negative emotions (up to 25%). With IMBUE's additional just-in-time feedback, participants demonstrate 17% improvement in skill mastery, along with greater enhancements in self-efficacy (27% more) and reduction of negative emotions (16% more) compared to simulation-only. The improvement in skill mastery is the only measure that is transferred to new and more difficult situations; situation specific training is necessary for improving self-efficacy and emotion reduction.

The ability to imitate realistic facial expressions is essential for humanoid robots engaged in affective human-robot communication. However, the lack of datasets containing diverse humanoid facial expressions with proper annotations hinders progress in realistic humanoid facial expression imitation. To address these challenges, we introduce X2C (Anything to Control), a dataset featuring nuanced facial expressions for realistic humanoid imitation. With X2C, we contribute: 1) a high-quality, high-diversity, large-scale dataset comprising 100,000 (image, control value) pairs. Each image depicts a humanoid robot displaying a diverse range of facial expressions, annotated with 30 control values representing the ground-truth expression configuration; 2) X2CNet, a novel human-to-humanoid facial expression imitation framework that learns the correspondence between nuanced humanoid expressions and their underlying control values from X2C. It enables facial expression imitation in the wild for different human performers, providing a baseline for the imitation task, showcasing the potential value of our dataset; 3) real-world demonstrations on a physical humanoid robot, highlighting its capability to advance realistic humanoid facial expression imitation. Code and Data: https://lipzh5.github.io/X2CNet/

The notable success of large language models (LLMs) has sparked an upsurge in building language agents to complete various complex tasks. We present AMOR, an agent framework based on open-source LLMs, which reasons with external knowledge bases and adapts to specific domains through human supervision to the reasoning process. AMOR builds reasoning logic over a finite state machine (FSM) that solves problems through autonomous executions and transitions over disentangled modules. This allows humans to provide direct feedback to the individual modules, and thus naturally forms process supervision. Based on this reasoning and feedback framework, we develop AMOR through two-stage fine-tuning: warm-up and adaptation. The former fine-tunes the LLM with examples automatically constructed from various public datasets, enabling AMOR to generalize across different knowledge environments, while the latter tailors AMOR to specific domains using process feedback. Extensive experiments across multiple domains demonstrate the advantage of AMOR to strong baselines, thanks to its FSM-based reasoning and process feedback mechanism. The code and data are publicly available at https://github.com/JianGuanTHU/AMOR.

Large language models (LLMs) have demonstrated their remarkable capacity across a variety of tasks. However, reasoning remains a challenge for LLMs. To improve LLMs' reasoning ability, process supervision has proven to be better than outcome supervision. In this work, we study using Monte Carlo Tree Search (MCTS) to generate process supervision data with LLMs themselves for training them. We sample reasoning steps with an LLM and assign each step a score that captures its "relative correctness," and the LLM is then trained by minimizing weighted log-likelihood of generating the reasoning steps. This generate-then-train process is repeated iteratively until convergence.Our experimental results demonstrate that the proposed methods considerably improve the performance of LLMs on two mathematical reasoning datasets. Furthermore, models trained on one dataset also exhibit improved performance on the other, showing the transferability of the enhanced reasoning ability.

Multimodal large language models (MLLMs) have shown remarkable performance in vision-language tasks. However, existing MLLMs are primarily trained on generic datasets, limiting their ability to reason on domain-specific visual cues such as those in facial images. In particular, tasks that require detailed understanding of facial structure, expression, emotion, and demographic features remain underexplored by MLLMs due to the lack of large-scale annotated face image-text datasets. In this work, we introduce FaceLLM, a multimodal large language model trained specifically for facial image understanding. To construct the training data, we propose a novel weakly supervised pipeline that uses ChatGPT with attribute-aware prompts to generate high-quality question-answer pairs based on images from the FairFace dataset. The resulting corpus, called FairFaceGPT, covers a diverse set of attributes including expression, pose, skin texture, and forensic information. Our experiments demonstrate that FaceLLM improves the performance of MLLMs on various face-centric tasks and achieves state-of-the-art performance. This work highlights the potential of synthetic supervision via language models for building domain-specialized MLLMs, and sets a precedent for trustworthy, human-centric multimodal AI systems. FairFaceGPT dataset and pretrained FaceLLM models are publicly available in the project page.

Contrastive learning has shown promising potential for learning robust representations by utilizing unlabeled data. However, constructing effective positive-negative pairs for contrastive learning on facial behavior datasets remains challenging. This is because such pairs inevitably encode the subject-ID information, and the randomly constructed pairs may push similar facial images away due to the limited number of subjects in facial behavior datasets. To address this issue, we propose to utilize activity descriptions, coarse-grained information provided in some datasets, which can provide high-level semantic information about the image sequences but is often neglected in previous studies. More specifically, we introduce a two-stage Contrastive Learning with Text-Embeded framework for Facial behavior understanding (CLEF). The first stage is a weakly-supervised contrastive learning method that learns representations from positive-negative pairs constructed using coarse-grained activity information. The second stage aims to train the recognition of facial expressions or facial action units by maximizing the similarity between image and the corresponding text label names. The proposed CLEF achieves state-of-the-art performance on three in-the-lab datasets for AU recognition and three in-the-wild datasets for facial expression recognition.

This work investigates descriptive captions as an additional source of supervision for biological multimodal foundation models. Images and captions can be viewed as complementary samples from the latent morphospace of a species, each capturing certain biological traits. Incorporating captions during training encourages alignment with this shared latent structure, emphasizing potentially diagnostic characters while suppressing spurious correlations. The main challenge, however, lies in obtaining faithful, instance-specific captions at scale. This requirement has limited the utilization of natural language supervision in organismal biology compared with many other scientific domains. We complement this gap by generating synthetic captions with multimodal large language models (MLLMs), guided by Wikipedia-derived visual information and taxon-tailored format examples. These domain-specific contexts help reduce hallucination and yield accurate, instance-based descriptive captions. Using these captions, we train BIOCAP (i.e., BIOCLIP with Captions), a biological foundation model that captures rich semantics and achieves strong performance in species classification and text-image retrieval. These results demonstrate the value of descriptive captions beyond labels in bridging biological images with multimodal foundation models.

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.

In most real world scenarios, a policy trained by reinforcement learning in one environment needs to be deployed in another, potentially quite different environment. However, generalization across different environments is known to be hard. A natural solution would be to keep training after deployment in the new environment, but this cannot be done if the new environment offers no reward signal. Our work explores the use of self-supervision to allow the policy to continue training after deployment without using any rewards. While previous methods explicitly anticipate changes in the new environment, we assume no prior knowledge of those changes yet still obtain significant improvements. Empirical evaluations are performed on diverse simulation environments from DeepMind Control suite and ViZDoom, as well as real robotic manipulation tasks in continuously changing environments, taking observations from an uncalibrated camera. Our method improves generalization in 31 out of 36 environments across various tasks and outperforms domain randomization on a majority of environments.

Facial landmark detection is a vital step for numerous facial image analysis applications. Although some deep learning-based methods have achieved good performances in this task, they are often not suitable for running on mobile devices. Such methods rely on networks with many parameters, which makes the training and inference time-consuming. Training lightweight neural networks such as MobileNets are often challenging, and the models might have low accuracy. Inspired by knowledge distillation (KD), this paper presents a novel loss function to train a lightweight Student network (e.g., MobileNetV2) for facial landmark detection. We use two Teacher networks, a Tolerant-Teacher and a Tough-Teacher in conjunction with the Student network. The Tolerant-Teacher is trained using Soft-landmarks created by active shape models, while the Tough-Teacher is trained using the ground truth (aka Hard-landmarks) landmark points. To utilize the facial landmark points predicted by the Teacher networks, we define an Assistive Loss (ALoss) for each Teacher network. Moreover, we define a loss function called KD-Loss that utilizes the facial landmark points predicted by the two pre-trained Teacher networks (EfficientNet-b3) to guide the lightweight Student network towards predicting the Hard-landmarks. Our experimental results on three challenging facial datasets show that the proposed architecture will result in a better-trained Student network that can extract facial landmark points with high accuracy.

Diagnosing a whole-slide image is an interactive, multi-stage process involving changes in magnification and movement between fields. Although recent pathology foundation models are strong, practical agentic systems that decide what field to examine next, adjust magnification, and deliver explainable diagnoses are still lacking. The blocker is data: scalable, clinically aligned supervision of expert viewing behavior that is tacit and experience-based, not written in textbooks or online, and therefore absent from large language model training. We introduce the AI Session Recorder, which works with standard WSI viewers to unobtrusively record routine navigation and convert the viewer logs into standardized behavioral commands (inspect or peek at discrete magnifications) and bounding boxes. A lightweight human-in-the-loop review turns AI-drafted rationales into the Pathology-CoT dataset, a form of paired "where to look" and "why it matters" supervision produced at roughly six times lower labeling time. Using this behavioral data, we build Pathologist-o3, a two-stage agent that first proposes regions of interest and then performs behavior-guided reasoning. On gastrointestinal lymph-node metastasis detection, it achieved 84.5% precision, 100.0% recall, and 75.4% accuracy, exceeding the state-of-the-art OpenAI o3 model and generalizing across backbones. To our knowledge, this constitutes one of the first behavior-grounded agentic systems in pathology. Turning everyday viewer logs into scalable, expert-validated supervision, our framework makes agentic pathology practical and establishes a path to human-aligned, upgradeable clinical AI.

The reliability of large language models (LLMs) during test-time scaling is often assessed with external verifiers or reward models that distinguish correct reasoning from flawed logic. Prior work generally assumes that process reward models (PRMs), which score every intermediate reasoning step, outperform outcome reward models (ORMs) that assess only the final answer. This view is based mainly on evidence from narrow, math-adjacent domains. We present the first unified evaluation of four reward model variants, discriminative ORM and PRM (\DisORM, \DisPRM) and generative ORM and PRM (\GenORM, \GenPRM), across 14 diverse domains. Contrary to conventional wisdom, we find that (i) \DisORM performs on par with \DisPRM, (ii) \GenPRM is not competitive, and (iii) overall, \GenORM is the most robust, yielding significant and consistent gains across every tested domain. We attribute this to PRM-style stepwise scoring, which inherits label noise from LLM auto-labeling and has difficulty evaluating long reasoning trajectories, including those involving self-correcting reasoning. Our theoretical analysis shows that step-wise aggregation compounds errors as reasoning length grows, and our empirical observations confirm this effect. These findings challenge the prevailing assumption that fine-grained supervision is always better and support generative outcome verification for multi-domain deployment. We publicly release our code, datasets, and checkpoints at https://github.com/db-Lee/Multi-RM{\small\texttt{https://github.com/db-Lee/Multi-RM}} to facilitate future research in multi-domain settings.

Recent advances in test-time scaling have led to the emergence of thinking LLMs that exhibit self-reflective behaviors and multi-step reasoning. While RL drives this self-improvement paradigm, a recent study (Gandhi et al., 2025) shows that RL alone does not truly instill these new reasoning abilities - it merely draws out behaviors already present in the base models. This raises a question: How can we train the models that don't exhibit such thinking behavior to develop it in the first place? To this end, we propose ThinkTuning, a GRPO-based interactive training approach where we augment the rollouts of a student model with the guidance from a teacher model. A simple idea from classroom practice inspires our method: a teacher poses a problem, lets the student try an answer, then gives corrective feedback -- enough to point the mind in the right direction and then show the solution. Each piece of feedback reshapes the student's thoughts, leading them to arrive at the correct solution. Similarly, we find that this type of implicit supervision through feedback from a teacher model of the same size improves the reasoning capabilities of the student model. In particular, on average, our method shows a 3.85% improvement over zero-shot baselines across benchmarks, and on MATH-500, AIME and GPQA-Diamond it shows 2.08%, 2.23% and 3.99% improvements over the vanilla-GRPO baseline. Source code is available at https://github.com/3rdAT/ThinkTuning.

Process Reward Models (PRMs) aim to improve multi-step reasoning in Large Language Models (LLMs) by supervising intermediate steps and identifying errors. However, building effective PRMs remains challenging due to the lack of scalable, high-quality annotations. Existing approaches rely on costly human labeling, LLM-based self-evaluation that is prone to hallucination, or Monte Carlo (MC) estimation, which infers step quality solely from rollout outcomes and often introduces noisy, misaligned supervision due to credit misattribution. These issues result in three core limitations: noisy rewards, low factual fidelity, and misalignment with step-level reasoning objectives. To address these challenges, we introduce GroundedPRM, a tree-guided and fidelity-aware framework for automatic process supervision. To reduce reward noise and enable fine-grained credit assignment, we construct structured reasoning paths via Monte Carlo Tree Search (MCTS). To eliminate hallucinated supervision, we validate each intermediate step using an external tool, providing execution-grounded correctness signals. To combine both step-level validation and global outcome assessment, we design a hybrid reward aggregation mechanism that fuses tool-based verification with MCTS-derived feedback. Finally, we format the reward signal into a rationale-enhanced, generative structure to promote interpretability and compatibility with instruction-tuned LLMs. GroundedPRM is trained on only 40K automatically labeled samples, amounting to just 10% of the data used by the best-performing PRM trained with auto-labeled supervision. Nevertheless, it achieves up to a 26% relative improvement in average performance on ProcessBench. When used for reward-guided greedy search, GroundedPRM outperforms even PRMs trained with human-labeled supervision, offering a scalable and verifiable path toward high-quality process-level reasoning.

Distant and weak supervision allow to obtain large amounts of labeled training data quickly and cheaply, but these automatic annotations tend to contain a high amount of errors. A popular technique to overcome the negative effects of these noisy labels is noise modelling where the underlying noise process is modelled. In this work, we study the quality of these estimated noise models from the theoretical side by deriving the expected error of the noise model. Apart from evaluating the theoretical results on commonly used synthetic noise, we also publish NoisyNER, a new noisy label dataset from the NLP domain that was obtained through a realistic distant supervision technique. It provides seven sets of labels with differing noise patterns to evaluate different noise levels on the same instances. Parallel, clean labels are available making it possible to study scenarios where a small amount of gold-standard data can be leveraged. Our theoretical results and the corresponding experiments give insights into the factors that influence the noise model estimation like the noise distribution and the sampling technique.

Reliable facial expression learning (FEL) involves the effective learning of distinctive facial expression characteristics for more reliable, unbiased and accurate predictions in real-life settings. However, current systems struggle with FEL tasks because of the variance in people's facial expressions due to their unique facial structures, movements, tones, and demographics. Biased and imbalanced datasets compound this challenge, leading to wrong and biased prediction labels. To tackle these, we introduce GReFEL, leveraging Vision Transformers and a facial geometry-aware anchor-based reliability balancing module to combat imbalanced data distributions, bias, and uncertainty in facial expression learning. Integrating local and global data with anchors that learn different facial data points and structural features, our approach adjusts biased and mislabeled emotions caused by intra-class disparity, inter-class similarity, and scale sensitivity, resulting in comprehensive, accurate, and reliable facial expression predictions. Our model outperforms current state-of-the-art methodologies, as demonstrated by extensive experiments on various datasets.

Recent talking avatar generation models have made strides in achieving realistic and accurate lip synchronization with the audio, but often fall short in controlling and conveying detailed expressions and emotions of the avatar, making the generated video less vivid and controllable. In this paper, we propose a novel text-guided approach for generating emotionally expressive 2D avatars, offering fine-grained control, improved interactivity, and generalizability to the resulting video. Our framework, named InstructAvatar, leverages a natural language interface to control the emotion as well as the facial motion of avatars. Technically, we design an automatic annotation pipeline to construct an instruction-video paired training dataset, equipped with a novel two-branch diffusion-based generator to predict avatars with audio and text instructions at the same time. Experimental results demonstrate that InstructAvatar produces results that align well with both conditions, and outperforms existing methods in fine-grained emotion control, lip-sync quality, and naturalness. Our project page is https://wangyuchi369.github.io/InstructAvatar/.

Self-supervision can dramatically cut back the amount of manually-labelled data required to train deep neural networks. While self-supervision has usually been considered for tasks such as image classification, in this paper we aim at extending it to geometry-oriented tasks such as semantic matching and part detection. We do so by building on several recent ideas in unsupervised landmark detection. Our approach learns dense distinctive visual descriptors from an unlabelled dataset of images using synthetic image transformations. It does so by means of a robust probabilistic formulation that can introspectively determine which image regions are likely to result in stable image matching. We show empirically that a network pre-trained in this manner requires significantly less supervision to learn semantic object parts compared to numerous pre-training alternatives. We also show that the pre-trained representation is excellent for semantic object matching.

The rapid advancement in deep learning over the past decade has transformed Facial Expression Recognition (FER) systems, as newer methods have been proposed that outperform the existing traditional handcrafted techniques. However, such a supervised learning approach requires a sufficiently large training dataset covering all the possible scenarios. And since most people exhibit facial expressions based upon their age group, gender, and ethnicity, a diverse facial expression dataset is needed. This becomes even more crucial while developing a FER system for the Indian subcontinent, which comprises of a diverse multi-ethnic population. In this work, we present InFER, a real-world multi-ethnic Indian Facial Expression Recognition dataset consisting of 10,200 images and 4,200 short videos of seven basic facial expressions. The dataset has posed expressions of 600 human subjects, and spontaneous/acted expressions of 6000 images crowd-sourced from the internet. To the best of our knowledge InFER is the first of its kind consisting of images from 600 subjects from very diverse ethnicity of the Indian Subcontinent. We also present the experimental results of baseline & deep FER methods on our dataset to substantiate its usability in real-world practical applications.

Facial expressions are a form of non-verbal communication that humans perform seamlessly for meaningful transfer of information. Most of the literature addresses the facial expression recognition aspect however, with the advent of Generative Models, it has become possible to explore the affect space in addition to mere classification of a set of expressions. In this article, we propose a generative model architecture which robustly generates a set of facial expressions for multiple character identities and explores the possibilities of generating complex expressions by combining the simple ones.

Speech-driven animation has gained significant traction in recent years, with current methods achieving near-photorealistic results. However, the field remains underexplored regarding non-verbal communication despite evidence demonstrating its importance in human interaction. In particular, generating laughter sequences presents a unique challenge due to the intricacy and nuances of this behaviour. This paper aims to bridge this gap by proposing a novel model capable of generating realistic laughter sequences, given a still portrait and an audio clip containing laughter. We highlight the failure cases of traditional facial animation methods and leverage recent advances in diffusion models to produce convincing laughter videos. We train our model on a diverse set of laughter datasets and introduce an evaluation metric specifically designed for laughter. When compared with previous speech-driven approaches, our model achieves state-of-the-art performance across all metrics, even when these are re-trained for laughter generation.

Virtual counselors powered by large language models (LLMs) aim to create interactive support systems that effectively assist clients struggling with mental health challenges. To replicate counselor-client conversations, researchers have built an online mental health platform that allows professional counselors to provide clients with text-based counseling services for about an hour per session. Notwithstanding its effectiveness, challenges exist as human annotation is time-consuming, cost-intensive, privacy-protected, and not scalable. To address this issue and investigate the applicability of LLMs in psychological counseling conversation simulation, we propose a framework that employs two LLMs via role-playing for simulating counselor-client interactions. Our framework involves two LLMs, one acting as a client equipped with a specific and real-life user profile and the other playing the role of an experienced counselor, generating professional responses using integrative therapy techniques. We implement both the counselor and the client by zero-shot prompting the GPT-4 model. In order to assess the effectiveness of LLMs in simulating counselor-client interactions and understand the disparities between LLM- and human-generated conversations, we evaluate the synthetic data from various perspectives. We begin by assessing the client's performance through automatic evaluations. Next, we analyze and compare the disparities between dialogues generated by the LLM and those generated by professional counselors. Furthermore, we conduct extensive experiments to thoroughly examine the performance of our LLM-based counselor trained with synthetic interactive dialogues by benchmarking against state-of-the-art models for mental health.

A significant body of recent research in the field of Learning Analytics has focused on leveraging machine learning approaches for predicting at-risk students in order to initiate timely interventions and thereby elevate retention and completion rates. The overarching feature of the majority of these research studies has been on the science of prediction only. The component of predictive analytics concerned with interpreting the internals of the models and explaining their predictions for individual cases to stakeholders has largely been neglected. Additionally, works that attempt to employ data-driven prescriptive analytics to automatically generate evidence-based remedial advice for at-risk learners are in their infancy. eXplainable AI is a field that has recently emerged providing cutting-edge tools which support transparent predictive analytics and techniques for generating tailored advice for at-risk students. This study proposes a novel framework that unifies both transparent machine learning as well as techniques for enabling prescriptive analytics, while integrating the latest advances in large language models. This work practically demonstrates the proposed framework using predictive models for identifying at-risk learners of programme non-completion. The study then further demonstrates how predictive modelling can be augmented with prescriptive analytics on two case studies in order to generate human-readable prescriptive feedback for those who are at risk using ChatGPT.

Multimodal large language models (MLLMs) are designed to process and integrate information from multiple sources, such as text, speech, images, and videos. Despite its success in language understanding, it is critical to evaluate the performance of downstream tasks for better human-centric applications. This paper assesses the application of MLLMs with 5 crucial abilities for affective computing, spanning from visual affective tasks and reasoning tasks. The results show that \gpt has high accuracy in facial action unit recognition and micro-expression detection while its general facial expression recognition performance is not accurate. We also highlight the challenges of achieving fine-grained micro-expression recognition and the potential for further study and demonstrate the versatility and potential of \gpt for handling advanced tasks in emotion recognition and related fields by integrating with task-related agents for more complex tasks, such as heart rate estimation through signal processing. In conclusion, this paper provides valuable insights into the potential applications and challenges of MLLMs in human-centric computing. Our interesting examples are at https://github.com/EnVision-Research/GPT4Affectivity.

Generative models have demonstrated substantial promise in Natural Language Processing (NLP) and have found application in designing molecules, as seen in General Pretrained Transformer (GPT) models. In our efforts to develop such a tool for exploring the organic chemical space in search of potentially electro-active compounds, we present "LLamol", a single novel generative transformer model based on the LLama 2 architecture, which was trained on a 13M superset of organic compounds drawn from diverse public sources. To allow for a maximum flexibility in usage and robustness in view of potentially incomplete data, we introduce "Stochastic Context Learning" as a new training procedure. We demonstrate that the resulting model adeptly handles single- and multi-conditional organic molecule generation with up to four conditions, yet more are possible. The model generates valid molecular structures in SMILES notation while flexibly incorporating three numerical and/or one token sequence into the generative process, just as requested. The generated compounds are very satisfactory in all scenarios tested. In detail, we showcase the model's capability to utilize token sequences for conditioning, either individually or in combination with numerical properties, making LLamol a potent tool for de novo molecule design, easily expandable with new properties.

We present a novel approach for the prediction of anticancer compound sensitivity by means of multi-modal attention-based neural networks (PaccMann). In our approach, we integrate three key pillars of drug sensitivity, namely, the molecular structure of compounds, transcriptomic profiles of cancer cells as well as prior knowledge about interactions among proteins within cells. Our models ingest a drug-cell pair consisting of SMILES encoding of a compound and the gene expression profile of a cancer cell and predicts an IC50 sensitivity value. Gene expression profiles are encoded using an attention-based encoding mechanism that assigns high weights to the most informative genes. We present and study three encoders for SMILES string of compounds: 1) bidirectional recurrent 2) convolutional 3) attention-based encoders. We compare our devised models against a baseline model that ingests engineered fingerprints to represent the molecular structure. We demonstrate that using our attention-based encoders, we can surpass the baseline model. The use of attention-based encoders enhance interpretability and enable us to identify genes, bonds and atoms that were used by the network to make a prediction.

During surgical training, real-time feedback from trainers to trainees is important for preventing errors and enhancing long-term skill acquisition. Accurately predicting the effectiveness of this feedback, specifically whether it leads to a change in trainee behavior, is crucial for developing methods for improving surgical training and education. However, relying on human annotations to assess feedback effectiveness is laborious and prone to biases, underscoring the need for an automated, scalable, and objective method. Creating such an automated system poses challenges, as it requires an understanding of both the verbal feedback delivered by the trainer and the visual context of the real-time surgical scene. To address this, we propose a method that integrates information from transcribed verbal feedback and corresponding surgical video to predict feedback effectiveness. Our findings show that both transcribed feedback and surgical video are individually predictive of trainee behavior changes, and their combination achieves an AUROC of 0.70+/-0.02, improving prediction accuracy by up to 6.6%. Additionally, we introduce self-supervised fine-tuning as a strategy for enhancing surgical video representation learning, which is scalable and further enhances prediction performance. Our results demonstrate the potential of multi-modal learning to advance the automated assessment of surgical feedback.

Although state-of-the-art classifiers for facial expression recognition (FER) can achieve a high level of accuracy, they lack interpretability, an important feature for end-users. Experts typically associate spatial action units (\aus) from a codebook to facial regions for the visual interpretation of expressions. In this paper, the same expert steps are followed. A new learning strategy is proposed to explicitly incorporate \au cues into classifier training, allowing to train deep interpretable models. During training, this \au codebook is used, along with the input image expression label, and facial landmarks, to construct a \au heatmap that indicates the most discriminative image regions of interest w.r.t the facial expression. This valuable spatial cue is leveraged to train a deep interpretable classifier for FER. This is achieved by constraining the spatial layer features of a classifier to be correlated with \au heatmaps. Using a composite loss, the classifier is trained to correctly classify an image while yielding interpretable visual layer-wise attention correlated with \au maps, simulating the expert decision process. Our strategy only relies on image class expression for supervision, without additional manual annotations. Our new strategy is generic, and can be applied to any deep CNN- or transformer-based classifier without requiring any architectural change or significant additional training time. Our extensive evaluation on two public benchmarks \rafdb, and \affectnet datasets shows that our proposed strategy can improve layer-wise interpretability without degrading classification performance. In addition, we explore a common type of interpretable classifiers that rely on class activation mapping (CAM) methods, and show that our approach can also improve CAM interpretability.

In mental health counseling, a variety of earlier studies have focused on dialogue modeling. However, most of these studies give limited to no emphasis on the quality of interaction between a patient and a therapist. The therapeutic bond between a patient and a therapist directly correlates with effective mental health counseling. It involves developing the patient's trust on the therapist over the course of counseling. To assess the therapeutic bond in counseling, we introduce trust as a therapist-assistive metric. Our definition of trust involves patients' willingness and openness to express themselves and, consequently, receive better care. We conceptualize it as a dynamic trajectory observable through textual interactions during the counseling. To facilitate trust modeling, we present MENTAL-TRUST, a novel counseling dataset comprising manual annotation of 212 counseling sessions with first-of-its-kind seven expert-verified ordinal trust levels. We project our problem statement as an ordinal classification task for trust quantification and propose a new benchmark, TrustBench, comprising a suite of classical and state-of-the-art language models on MENTAL-TRUST. We evaluate the performance across a suite of metrics and lay out an exhaustive set of findings. Our study aims to unfold how trust evolves in therapeutic interactions.

Animating portraits using speech has received growing attention in recent years, with various creative and practical use cases. An ideal generated video should have good lip sync with the audio, natural facial expressions and head motions, and high frame quality. In this work, we present SPACE, which uses speech and a single image to generate high-resolution, and expressive videos with realistic head pose, without requiring a driving video. It uses a multi-stage approach, combining the controllability of facial landmarks with the high-quality synthesis power of a pretrained face generator. SPACE also allows for the control of emotions and their intensities. Our method outperforms prior methods in objective metrics for image quality and facial motions and is strongly preferred by users in pair-wise comparisons. The project website is available at https://deepimagination.cc/SPACE/

Large audio-language models (LALMs) extend text-based LLMs with auditory understanding, offering new opportunities for multimodal applications. While their perception, reasoning, and task performance have been widely studied, their safety alignment under paralinguistic variation remains underexplored. This work systematically investigates the role of speaker emotion. We construct a dataset of malicious speech instructions expressed across multiple emotions and intensities, and evaluate several state-of-the-art LALMs. Our results reveal substantial safety inconsistencies: different emotions elicit varying levels of unsafe responses, and the effect of intensity is non-monotonic, with medium expressions often posing the greatest risk. These findings highlight an overlooked vulnerability in LALMs and call for alignment strategies explicitly designed to ensure robustness under emotional variation, a prerequisite for trustworthy deployment in real-world settings.

Small language models (SLMs) are more efficient, cost-effective, and customizable than large language models (LLMs), though they often underperform in specific areas like reasoning. Past methods for enhancing SLMs' reasoning, such as supervised fine-tuning and distillation, often depend on costly external signals, resulting in SLMs being overly confident with limited supervision signals, thus limiting their abilities. Therefore, this study enables SLMs to learn to reason from self-iterative feedback. By combining odds ratio preference optimization (ORPO), we fine-tune and align SLMs using positive and negative signals generated by themselves. Additionally, we introduce process supervision for rewards in preference alignment by sampling-based inference simulation and process reward models. Compared to Supervised Fine-Tuning (SFT), our method improves the performance of Gemma-2B by 12.43 (Acc) on GSM8K and 3.95 (Pass@1) on MBPP. Furthermore, the proposed method also demonstrated superior out-of-domain generalization capabilities on MMLU_Math and HumanEval.

Large language models (LLMs) have a tendency to generate plausible-sounding yet factually incorrect responses, especially when queried on unfamiliar concepts. In this work, we explore the underlying mechanisms that govern how finetuned LLMs hallucinate. Our investigation reveals an interesting pattern: as inputs become more unfamiliar, LLM outputs tend to default towards a ``hedged'' prediction, whose form is determined by how the unfamiliar examples in the finetuning data are supervised. Thus, by strategically modifying these examples' supervision, we can control LLM predictions for unfamiliar inputs (e.g., teach them to say ``I don't know''). Based on these principles, we develop an RL approach that more reliably mitigates hallucinations for long-form generation tasks, by tackling the challenges presented by reward model hallucinations. We validate our findings with a series of controlled experiments in multiple-choice QA on MMLU, as well as long-form biography and book/movie plot generation tasks.

Dialogue systems have been used as conversation partners in English learning, but few have studied whether these systems improve learning outcomes. Student passion and perseverance, or grit, has been associated with language learning success. Recent work establishes that as students perceive their English teachers to be more supportive, their grit improves. Hypothesizing that the same pattern applies to English-teaching chatbots, we create EDEN, a robust open-domain chatbot for spoken conversation practice that provides empathetic feedback. To construct EDEN, we first train a specialized spoken utterance grammar correction model and a high-quality social chit-chat conversation model. We then conduct a preliminary user study with a variety of strategies for empathetic feedback. Our experiment suggests that using adaptive empathetic feedback leads to higher perceived affective support. Furthermore, elements of perceived affective support positively correlate with student grit.

Large Language Models (LLMs) have revolutionized natural language processing and hold immense potential for advancing Artificial Intelligence. However, the core architecture of most mainstream LLMs -- the Transformer -- has inherent limitations in computational depth, rendering them theoretically incapable of solving many reasoning tasks that demand increasingly deep computations. Chain of Thought (CoT) prompting has emerged as a technique to address these architectural limitations, as evidenced by several theoretical studies. It offers a promising approach to solving complex reasoning tasks that were previously beyond the capabilities of these models. Despite its successes, CoT and its variants (such as Tree of Thought, Graph of Thought, etc.) rely on a "one-prompt-for-all" approach, using a single prompt structure (e.g., "think step by step") for a wide range of tasks -- from counting and sorting to solving mathematical and algorithmic problems. This approach poses significant challenges for models to generate the correct reasoning steps, as the model must navigate through a vast prompt template space to find the appropriate template for each task. In this work, we build upon previous theoretical analyses of CoT to demonstrate how the one-prompt-for-all approach can negatively affect the computability of LLMs. We partition the solution search space into two: the prompt space and the answer space. Our findings show that task-specific supervision is essential for navigating the prompt space accurately and achieving optimal performance. Through experiments with state-of-the-art LLMs, we reveal a gap in reasoning performance when supervision is applied versus when it is not.

Improving the multi-step reasoning ability of Large Language Models (LLMs) is a critical yet challenging task. The dominant paradigm, outcome-supervised reinforcement learning (RLVR), rewards only correct final answers, often propagating flawed reasoning and suffering from sparse reward signals. While process-level reward models (PRMs) provide denser, step-by-step feedback, they lack generalizability and interpretability, requiring task-specific segmentation of the reasoning process. To this end, we propose the Dimension-level Reward Model (DRM), a new supervision framework that bridges the gap between these two approaches. DRM evaluates the quality of a reasoning process along three fundamental, complementary, and interpretable dimensions: Confidence for uncertainty calibration, Relevance for semantic alignment, and Coherence for logical consistency. Together, these dimensions capture aspects beyond final answer correctness and enable interpretable assessment without requiring ground truth answers. Experimental results show that DRM provides effective supervision signals, guides the optimization of LLMs and enhances their reasoning ability. In particular, DRM-supervised training achieves consistent gains on both in-distribution and out-of-distribution open-domain tasks, including mathematics, question answering, code execution, and puzzles. Our findings demonstrate that multidimensional supervision of the reasoning process can improve the generalized reasoning ability of LLMs beyond the training distribution.

Current methods for content safety in Large Language Models (LLMs), such as Supervised Fine-Tuning (SFT) and Reinforcement Learning from Human Feedback (RLHF), often rely on multi-stage training pipelines and lack fine-grained, post-deployment controllability. To address these limitations, we propose a unified co-training framework that efficiently integrates multiple safety behaviors: positive (lawful/prosocial), negative (unfiltered/risk-prone) and rejective (refusal-oriented/conservative) within a single SFT stage. Notably, each behavior is dynamically activated via a simple system-level instruction, or magic token, enabling stealthy and efficient behavioral switching at inference time. This flexibility supports diverse deployment scenarios, such as positive for safe user interaction, negative for internal red-teaming, and rejective for context-aware refusals triggered by upstream moderation signals. This co-training strategy induces a distinct Safety Alignment Margin in the output space, characterized by well-separated response distributions corresponding to each safety mode. The existence of this margin provides empirical evidence for the model's safety robustness and enables unprecedented fine-grained control. Experiments show that our method matches the safety alignment quality of SFT+DPO, with our 8B model notably surpassing DeepSeek-R1 (671B) in safety performance, while significantly reducing both training complexity and deployment costs. This work presents a scalable, efficient, and highly controllable solution for LLM content safety.

ELECTRA, the generator-discriminator pre-training framework, has achieved impressive semantic construction capability among various downstream tasks. Despite the convincing performance, ELECTRA still faces the challenges of monotonous training and deficient interaction. Generator with only masked language modeling (MLM) leads to biased learning and label imbalance for discriminator, decreasing learning efficiency; no explicit feedback loop from discriminator to generator results in the chasm between these two components, underutilizing the course learning. In this study, a multi-perspective course learning (MCL) method is proposed to fetch a many degrees and visual angles for sample-efficient pre-training, and to fully leverage the relationship between generator and discriminator. Concretely, three self-supervision courses are designed to alleviate inherent flaws of MLM and balance the label in a multi-perspective way. Besides, two self-correction courses are proposed to bridge the chasm between the two encoders by creating a "correction notebook" for secondary-supervision. Moreover, a course soups trial is conducted to solve the "tug-of-war" dynamics problem of MCL, evolving a stronger pre-trained model. Experimental results show that our method significantly improves ELECTRA's average performance by 2.8% and 3.2% absolute points respectively on GLUE and SQuAD 2.0 benchmarks, and overshadows recent advanced ELECTRA-style models under the same settings. The pre-trained MCL model is available at https://huggingface.co/McmanusChen/MCL-base.

Spotting facial micro-expression from videos finds various potential applications in fields including clinical diagnosis and interrogation, meanwhile this task is still difficult due to the limited scale of training data. To solve this problem, this paper tries to formulate a new task called micro-expression generation and then presents a strong baseline which combines the first order motion model with facial prior knowledge. Given a target face, we intend to drive the face to generate micro-expression videos according to the motion patterns of source videos. Specifically, our new model involves three modules. First, we extract facial prior features from a region focusing module. Second, we estimate facial motion using key points and local affine transformations with a motion prediction module. Third, expression generation module is used to drive the target face to generate videos. We train our model on public CASME II, SAMM and SMIC datasets and then use the model to generate new micro-expression videos for evaluation. Our model achieves the first place in the Facial Micro-Expression Challenge 2021 (MEGC2021), where our superior performance is verified by three experts with Facial Action Coding System certification. Source code is provided in https://github.com/Necolizer/Facial-Prior-Based-FOMM.

Facial expression editing has attracted increasing attention with the advance of deep neural networks in recent years. However, most existing methods suffer from compromised editing fidelity and limited usability as they either ignore pose variations (unrealistic editing) or require paired training data (not easy to collect) for pose controls. This paper presents POCE, an innovative pose-controllable expression editing network that can generate realistic facial expressions and head poses simultaneously with just unpaired training images. POCE achieves the more accessible and realistic pose-controllable expression editing by mapping face images into UV space, where facial expressions and head poses can be disentangled and edited separately. POCE has two novel designs. The first is self-supervised UV completion that allows to complete UV maps sampled under different head poses, which often suffer from self-occlusions and missing facial texture. The second is weakly-supervised UV editing that allows to generate new facial expressions with minimal modification of facial identity, where the synthesized expression could be controlled by either an expression label or directly transplanted from a reference UV map via feature transfer. Extensive experiments show that POCE can learn from unpaired face images effectively, and the learned model can generate realistic and high-fidelity facial expressions under various new poses.

Molecule discovery is a pivotal research field, impacting everything from the medicines we take to the materials we use. Recently, Large Language Models (LLMs) have been widely adopted in molecule understanding and generation, yet the alignments between molecules and their corresponding captions remain a significant challenge. Previous endeavours often treat the molecule as a general SMILES string or molecular graph, neglecting the fine-grained alignments between the molecular sub-structures and the descriptive textual phrases, which are crucial for accurate and explainable predictions. In this case, we introduce MolReFlect, a novel teacher-student framework designed to contextually perform the molecule-caption alignments in a fine-grained way. Our approach initially leverages a larger teacher LLM to label the detailed alignments by directly extracting critical phrases from molecule captions or SMILES strings and implying them to corresponding sub-structures or characteristics. To refine these alignments, we propose In-Context Selective Reflection, which retrieves previous extraction results as context examples for teacher LLM to reflect and lets a smaller student LLM select from in-context reflection and previous extraction results. Finally, we enhance the learning process of the student LLM through Chain-of-Thought In-Context Molecule Tuning, integrating the fine-grained alignments and the reasoning processes within the Chain-of-Thought format. Our experimental results demonstrate that MolReFlect enables LLMs like Mistral-7B to significantly outperform the previous baselines, achieving SOTA performance on the ChEBI-20 dataset. This advancement not only enhances the generative capabilities of LLMs in the molecule-caption translation task, but also contributes to a more explainable framework.

Superalignment, where humans are weak supervisors of superhuman models, has become an important and widely discussed issue in the current era of rapid development of Large Language Models (LLMs). The recent work preliminarily studies this problem by using weak models to supervise strong models. It discovers that weakly supervised strong students can consistently outperform weak teachers towards the alignment target, leading to a weak-to-strong generalization phenomenon. However, we are concerned that behind such a promising phenomenon, whether there exists an issue of weak-to-strong deception, where strong models may deceive weak models by exhibiting well-aligned in areas known to weak models but producing misaligned behaviors in cases weak models do not know. We then take an initial step towards exploring this security issue in a specific but realistic multi-objective alignment case, where there may be some alignment targets conflicting with each other (e.g., helpfulness v.s. harmlessness). Such a conflict is likely to cause strong models to deceive weak models in one alignment dimension to gain high reward in other alignment dimension. Our experiments on both the reward modeling task and the preference optimization scenario indicate: (1) the weak-to-strong deception exists; (2) the deception phenomenon may intensify as the capability gap between weak and strong models increases. We also discuss potential solutions and find bootstrapping with an intermediate model can mitigate the deception to some extent. Our work highlights the urgent need to pay more attention to the true reliability of superalignment.

Natural language could play an important role in developing generalist surgical models by providing a broad source of supervision from raw texts. This flexible form of supervision can enable the model's transferability across datasets and tasks as natural language can be used to reference learned visual concepts or describe new ones. In this work, we present HecVL, a novel hierarchical video-language pretraining approach for building a generalist surgical model. Specifically, we construct a hierarchical video-text paired dataset by pairing the surgical lecture video with three hierarchical levels of texts: at clip-level, atomic actions using transcribed audio texts; at phase-level, conceptual text summaries; and at video-level, overall abstract text of the surgical procedure. Then, we propose a novel fine-to-coarse contrastive learning framework that learns separate embedding spaces for the three video-text hierarchies using a single model. By disentangling embedding spaces of different hierarchical levels, the learned multi-modal representations encode short-term and long-term surgical concepts in the same model. Thanks to the injected textual semantics, we demonstrate that the HecVL approach can enable zero-shot surgical phase recognition without any human annotation. Furthermore, we show that the same HecVL model for surgical phase recognition can be transferred across different surgical procedures and medical centers. The code is available at https://github.com/CAMMA-public/SurgVLP

Knowledge probing evaluates the extent to which a language model (LM) has acquired relational knowledge during its pre-training phase. It provides a cost-effective means of comparing LMs of different sizes and training setups and is useful for monitoring knowledge gained or lost during continual learning (CL). In prior work, we presented an improved knowledge probe called BEAR (Wiland et al., 2024), which enables the comparison of LMs trained with different pre-training objectives (causal and masked LMs) and addresses issues of skewed distributions in previous probes to deliver a more unbiased reading of LM knowledge. With this paper, we present LM-PUB- QUIZ, a Python framework and leaderboard built around the BEAR probing mechanism that enables researchers and practitioners to apply it in their work. It provides options for standalone evaluation and direct integration into the widely-used training pipeline of the Hugging Face TRANSFORMERS library. Further, it provides a fine-grained analysis of different knowledge types to assist users in better understanding the knowledge in each evaluated LM. We publicly release LM-PUB-QUIZ as an open-source project.

We study the capabilities of speech processing systems trained simply to predict large amounts of transcripts of audio on the internet. When scaled to 680,000 hours of multilingual and multitask supervision, the resulting models generalize well to standard benchmarks and are often competitive with prior fully supervised results but in a zero-shot transfer setting without the need for any fine-tuning. When compared to humans, the models approach their accuracy and robustness. We are releasing models and inference code to serve as a foundation for further work on robust speech processing.

Recent research in representation learning utilizes large databases of proteins or molecules to acquire knowledge of drug and protein structures through unsupervised learning techniques. These pre-trained representations have proven to significantly enhance the accuracy of subsequent tasks, such as predicting the affinity between drugs and target proteins. In this study, we demonstrate that by incorporating knowledge graphs from diverse sources and modalities into the sequences or SMILES representation, we can further enrich the representation and achieve state-of-the-art results on established benchmark datasets. We provide preprocessed and integrated data obtained from 7 public sources, which encompass over 30M triples. Additionally, we make available the pre-trained models based on this data, along with the reported outcomes of their performance on three widely-used benchmark datasets for drug-target binding affinity prediction found in the Therapeutic Data Commons (TDC) benchmarks. Additionally, we make the source code for training models on benchmark datasets publicly available. Our objective in releasing these pre-trained models, accompanied by clean data for model pretraining and benchmark results, is to encourage research in knowledge-enhanced representation learning.

LLMs are often trained with RL from human or AI feedback, yet such methods typically compress nuanced feedback into scalar rewards, discarding much of their richness and inducing scale imbalance. We propose treating verbal feedback as a conditioning signal. Inspired by language priors in text-to-image generation, which enable novel outputs from unseen prompts, we introduce the feedback-conditional policy (FCP). FCP learns directly from response-feedback pairs, approximating the feedback-conditional posterior through maximum likelihood training on offline data. We further develop an online bootstrapping stage where the policy generates under positive conditions and receives fresh feedback to refine itself. This reframes feedback-driven learning as conditional generation rather than reward optimization, offering a more expressive way for LLMs to directly learn from verbal feedback. Our code is available at https://github.com/sail-sg/feedback-conditional-policy.

Concerns about hallucinations in Large Language Models (LLMs) have been raised by researchers, yet their potential in areas where creativity is vital, such as drug discovery, merits exploration. In this paper, we come up with the hypothesis that hallucinations can improve LLMs in drug discovery. To verify this hypothesis, we use LLMs to describe the SMILES string of molecules in natural language and then incorporate these descriptions as part of the prompt to address specific tasks in drug discovery. Evaluated on seven LLMs and five classification tasks, our findings confirm the hypothesis: LLMs can achieve better performance with text containing hallucinations. Notably, Llama-3.1-8B achieves an 18.35% gain in ROC-AUC compared to the baseline without hallucination. Furthermore, hallucinations generated by GPT-4o provide the most consistent improvements across models. Additionally, we conduct empirical analyses and a case study to investigate key factors affecting performance and the underlying reasons. Our research sheds light on the potential use of hallucinations for LLMs and offers new perspectives for future research leveraging LLMs in drug discovery.

Depression, a prevalent mental health disorder impacting millions globally, demands reliable assessment systems. Unlike previous studies that focus solely on either detecting depression or predicting its severity, our work identifies individual symptoms of depression while also predicting its severity using speech input. We leverage self-supervised learning (SSL)-based speech models to better utilize the small-sized datasets that are frequently encountered in this task. Our study demonstrates notable performance improvements by utilizing SSL embeddings compared to conventional speech features. We compare various types of SSL pretrained models to elucidate the type of speech information (semantic, speaker, or prosodic) that contributes the most in identifying different symptoms. Additionally, we evaluate the impact of combining multiple SSL embeddings on performance. Furthermore, we show the significance of multi-task learning for identifying depressive symptoms effectively.

Instruction-following agents must ground language into their observation and action spaces. Learning to ground language is challenging, typically requiring domain-specific engineering or large quantities of human interaction data. To address this challenge, we propose using pretrained vision-language models (VLMs) to supervise embodied agents. We combine ideas from model distillation and hindsight experience replay (HER), using a VLM to retroactively generate language describing the agent's behavior. Simple prompting allows us to control the supervision signal, teaching an agent to interact with novel objects based on their names (e.g., planes) or their features (e.g., colors) in a 3D rendered environment. Fewshot prompting lets us teach abstract category membership, including pre-existing categories (food vs toys) and ad-hoc ones (arbitrary preferences over objects). Our work outlines a new and effective way to use internet-scale VLMs, repurposing the generic language grounding acquired by such models to teach task-relevant groundings to embodied agents.

In recent decades, chemistry publications and patents have increased rapidly. A significant portion of key information is embedded in molecular structure figures, complicating large-scale literature searches and limiting the application of large language models in fields such as biology, chemistry, and pharmaceuticals. The automatic extraction of precise chemical structures is of critical importance. However, the presence of numerous Markush structures in real-world documents, along with variations in molecular image quality, drawing styles, and noise, significantly limits the performance of existing optical chemical structure recognition (OCSR) methods. We present MolParser, a novel end-to-end OCSR method that efficiently and accurately recognizes chemical structures from real-world documents, including difficult Markush structure. We use a extended SMILES encoding rule to annotate our training dataset. Under this rule, we build MolParser-7M, the largest annotated molecular image dataset to our knowledge. While utilizing a large amount of synthetic data, we employed active learning methods to incorporate substantial in-the-wild data, specifically samples cropped from real patents and scientific literature, into the training process. We trained an end-to-end molecular image captioning model, MolParser, using a curriculum learning approach. MolParser significantly outperforms classical and learning-based methods across most scenarios, with potential for broader downstream applications. The dataset is publicly available.

We introduce a novel method for joint expression and audio-guided talking face generation. Recent approaches either struggle to preserve the speaker identity or fail to produce faithful facial expressions. To address these challenges, we propose a NeRF-based network. Since we train our network on monocular videos without any ground truth, it is essential to learn disentangled representations for audio and expression. We first learn audio features in a self-supervised manner, given utterances from multiple subjects. By incorporating a contrastive learning technique, we ensure that the learned audio features are aligned to the lip motion and disentangled from the muscle motion of the rest of the face. We then devise a transformer-based architecture that learns expression features, capturing long-range facial expressions and disentangling them from the speech-specific mouth movements. Through quantitative and qualitative evaluation, we demonstrate that our method can synthesize high-fidelity talking face videos, achieving state-of-the-art facial expression transfer along with lip synchronization to unseen audio.

Large language models (LLMs) often struggle with maintaining accuracy across a sequence of intermediate reasoning steps in mathematical reasoning, leading to error propagation that undermines the final result. The current methodology to mitigate this issue primarily involves using a verifier model to assess the correctness of generated solution candidates, focusing either on the overall reasoning path or on an incomplete reasoning path. By rethinking this approach, we argue that assessing potentials of incomplete reasoning paths could be more advantageous as it guides towards correct final answers, transforming the task into a planning problem. Our proposed verifier, the Outcome-supervision Value Model (OVM), employs outcome supervision for training, offering an efficient and intuitive method for planning by prioritizing steps that lead to accurate conclusions over mere per-step correctness. Furthermore, the OVM eschews the need for labor-intensive annotations on step-level correctness, enhancing its scalability. Our experiments on two multi-step mathematical reasoning datasets, GSM8K and Game of 24, demonstrate the superior performance of the OVM model. Notably, in GSM8K, our OVM-7B model achieves state-of-the-art results among LLMs up to 13B parameters; especially it does not utilize GPT-4 or code execution. These findings offer a novel perspective on the role of outcome supervision in training verifiers for multi-step reasoning tasks and provide theoretical justification for its advantage in value estimation for planning.