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Jun 13

OCSU: Optical Chemical Structure Understanding for Molecule-centric Scientific Discovery

Understanding the chemical structure from a graphical representation of a molecule is a challenging image caption task that would greatly benefit molecule-centric scientific discovery. Variations in molecular images and caption subtasks pose a significant challenge in both image representation learning and task modeling. Yet, existing methods only focus on a specific caption task that translates a molecular image into its graph structure, i.e., OCSR. In this paper, we propose the Optical Chemical Structure Understanding (OCSU) task, which extends OCSR to molecular image caption from motif level to molecule level and abstract level. We present two approaches for that, including an OCSR-based method and an end-to-end OCSR-free method. The proposed Double-Check achieves SOTA OCSR performance on real-world patent and journal article scenarios via attentive feature enhancement for local ambiguous atoms. Cascading with SMILES-based molecule understanding methods, it can leverage the power of existing task-specific models for OCSU. While Mol-VL is an end-to-end optimized VLM-based model. An OCSU dataset, Vis-CheBI20, is built based on the widely used CheBI20 dataset for training and evaluation. Extensive experimental results on Vis-CheBI20 demonstrate the effectiveness of the proposed approaches. Improving OCSR capability can lead to a better OCSU performance for OCSR-based approach, and the SOTA performance of Mol-VL demonstrates the great potential of end-to-end approach.

GTR-CoT: Graph Traversal as Visual Chain of Thought for Molecular Structure Recognition

Optical Chemical Structure Recognition (OCSR) is crucial for digitizing chemical knowledge by converting molecular images into machine-readable formats. While recent vision-language models (VLMs) have shown potential in this task, their image-captioning approach often struggles with complex molecular structures and inconsistent annotations. To overcome these challenges, we introduce GTR-Mol-VLM, a novel framework featuring two key innovations: (1) the Graph Traversal as Visual Chain of Thought mechanism that emulates human reasoning by incrementally parsing molecular graphs through sequential atom-bond predictions, and (2) the data-centric principle of Faithfully Recognize What You've Seen, which addresses the mismatch between abbreviated structures in images and their expanded annotations. To support model development, we constructed GTR-CoT-1.3M, a large-scale instruction-tuning dataset with meticulously corrected annotations, and introduced MolRec-Bench, the first benchmark designed for a fine-grained evaluation of graph-parsing accuracy in OCSR. Comprehensive experiments demonstrate that GTR-Mol-VLM achieves superior results compared to specialist models, chemistry-domain VLMs, and commercial general-purpose VLMs. Notably, in scenarios involving molecular images with functional group abbreviations, GTR-Mol-VLM outperforms the second-best baseline by approximately 14 percentage points, both in SMILES-based and graph-based metrics. We hope that this work will drive OCSR technology to more effectively meet real-world needs, thereby advancing the fields of cheminformatics and AI for Science. We will release GTR-CoT at https://github.com/opendatalab/GTR-CoT.

SELFormer: Molecular Representation Learning via SELFIES Language Models

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.

Towards Explainable Anticancer Compound Sensitivity Prediction via Multimodal Attention-based Convolutional Encoders

In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our model is based on the three key pillars of drug sensitivity: compounds' structure in the form of a SMILES sequence, gene expression profiles of tumors and prior knowledge on intracellular interactions from protein-protein interaction networks. We demonstrate that our multiscale convolutional attention-based (MCA) encoder significantly outperforms a baseline model trained on Morgan fingerprints, a selection of encoders based on SMILES as well as previously reported state of the art for multimodal drug sensitivity prediction (R2 = 0.86 and RMSE = 0.89). Moreover, the explainability of our approach is demonstrated by a thorough analysis of the attention weights. We show that the attended genes significantly enrich apoptotic processes and that the drug attention is strongly correlated with a standard chemical structure similarity index. Finally, we report a case study of two receptor tyrosine kinase (RTK) inhibitors acting on a leukemia cell line, showcasing the ability of the model to focus on informative genes and submolecular regions of the two compounds. The demonstrated generalizability and the interpretability of our model testify its potential for in-silico prediction of anticancer compound efficacy on unseen cancer cells, positioning it as a valid solution for the development of personalized therapies as well as for the evaluation of candidate compounds in de novo drug design.

UAlign: Pushing the Limit of Template-free Retrosynthesis Prediction with Unsupervised SMILES Alignment

Retrosynthesis planning poses a formidable challenge in the organic chemical industry, particularly in pharmaceuticals. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to advancements in AI for science. Various deep learning-based methods have been proposed for this task in recent years, incorporating diverse levels of additional chemical knowledge dependency. This paper introduces UAlign, a template-free graph-to-sequence pipeline for retrosynthesis prediction. By combining graph neural networks and Transformers, our method can more effectively leverage the inherent graph structure of molecules. Based on the fact that the majority of molecule structures remain unchanged during a chemical reaction, we propose a simple yet effective SMILES alignment technique to facilitate the reuse of unchanged structures for reactant generation. Extensive experiments show that our method substantially outperforms state-of-the-art template-free and semi-template-based approaches. Importantly, Our template-free method achieves effectiveness comparable to, or even surpasses, established powerful template-based methods. Scientific contribution: We present a novel graph-to-sequence template-free retrosynthesis prediction pipeline that overcomes the limitations of Transformer-based methods in molecular representation learning and insufficient utilization of chemical information. We propose an unsupervised learning mechanism for establishing product-atom correspondence with reactant SMILES tokens, achieving even better results than supervised SMILES alignment methods. Extensive experiments demonstrate that UAlign significantly outperforms state-of-the-art template-free methods and rivals or surpasses template-based approaches, with up to 5\% (top-5) and 5.4\% (top-10) increased accuracy over the strongest baseline.

Making Flow-Matching-Based Zero-Shot Text-to-Speech Laugh as You Like

Laughter is one of the most expressive and natural aspects of human speech, conveying emotions, social cues, and humor. However, most text-to-speech (TTS) systems lack the ability to produce realistic and appropriate laughter sounds, limiting their applications and user experience. While there have been prior works to generate natural laughter, they fell short in terms of controlling the timing and variety of the laughter to be generated. In this work, we propose ELaTE, a zero-shot TTS that can generate natural laughing speech of any speaker based on a short audio prompt with precise control of laughter timing and expression. Specifically, ELaTE works on the audio prompt to mimic the voice characteristic, the text prompt to indicate the contents of the generated speech, and the input to control the laughter expression, which can be either the start and end times of laughter, or the additional audio prompt that contains laughter to be mimicked. We develop our model based on the foundation of conditional flow-matching-based zero-shot TTS, and fine-tune it with frame-level representation from a laughter detector as additional conditioning. With a simple scheme to mix small-scale laughter-conditioned data with large-scale pre-training data, we demonstrate that a pre-trained zero-shot TTS model can be readily fine-tuned to generate natural laughter with precise controllability, without losing any quality of the pre-trained zero-shot TTS model. Through the evaluations, we show that ELaTE can generate laughing speech with significantly higher quality and controllability compared to conventional models. See https://aka.ms/elate/ for demo samples.

GSmoothFace: Generalized Smooth Talking Face Generation via Fine Grained 3D Face Guidance

Although existing speech-driven talking face generation methods achieve significant progress, they are far from real-world application due to the avatar-specific training demand and unstable lip movements. To address the above issues, we propose the GSmoothFace, a novel two-stage generalized talking face generation model guided by a fine-grained 3d face model, which can synthesize smooth lip dynamics while preserving the speaker's identity. Our proposed GSmoothFace model mainly consists of the Audio to Expression Prediction (A2EP) module and the Target Adaptive Face Translation (TAFT) module. Specifically, we first develop the A2EP module to predict expression parameters synchronized with the driven speech. It uses a transformer to capture the long-term audio context and learns the parameters from the fine-grained 3D facial vertices, resulting in accurate and smooth lip-synchronization performance. Afterward, the well-designed TAFT module, empowered by Morphology Augmented Face Blending (MAFB), takes the predicted expression parameters and target video as inputs to modify the facial region of the target video without distorting the background content. The TAFT effectively exploits the identity appearance and background context in the target video, which makes it possible to generalize to different speakers without retraining. Both quantitative and qualitative experiments confirm the superiority of our method in terms of realism, lip synchronization, and visual quality. See the project page for code, data, and request pre-trained models: https://zhanghm1995.github.io/GSmoothFace.

NegativePrompt: Leveraging Psychology for Large Language Models Enhancement via Negative Emotional Stimuli

Large Language Models (LLMs) have become integral to a wide spectrum of applications, ranging from traditional computing tasks to advanced artificial intelligence (AI) applications. This widespread adoption has spurred extensive research into LLMs across various disciplines, including the social sciences. Notably, studies have revealed that LLMs possess emotional intelligence, which can be further developed through positive emotional stimuli. This discovery raises an intriguing question: can negative emotions similarly influence LLMs, potentially enhancing their performance? In response to this question, we introduce NegativePrompt, a novel approach underpinned by psychological principles, involving ten specifically designed negative emotional stimuli. We embark on rigorous experimental evaluations of five LLMs including Flan-T5-Large, Vicuna, Llama 2, ChatGPT, and GPT-4, across a set of 45 tasks. The results are revealing: NegativePrompt markedly enhances the performance of LLMs, evidenced by relative improvements of 12.89% in Instruction Induction tasks and 46.25% in BIG-Bench tasks. Moreover, we conduct attention visualization experiments to decipher the underlying mechanisms of NegativePrompt's influence. Our research contributes significantly to the understanding of LLMs and emotion interaction, demonstrating the practical efficacy of NegativePrompt as an emotion-driven method and offering novel insights for the enhancement of LLMs in real-world applications. The code is available at https://github.com/wangxu0820/NegativePrompt.

POCE: Pose-Controllable Expression Editing

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.

Visual Speech-Aware Perceptual 3D Facial Expression Reconstruction from Videos

The recent state of the art on monocular 3D face reconstruction from image data has made some impressive advancements, thanks to the advent of Deep Learning. However, it has mostly focused on input coming from a single RGB image, overlooking the following important factors: a) Nowadays, the vast majority of facial image data of interest do not originate from single images but rather from videos, which contain rich dynamic information. b) Furthermore, these videos typically capture individuals in some form of verbal communication (public talks, teleconferences, audiovisual human-computer interactions, interviews, monologues/dialogues in movies, etc). When existing 3D face reconstruction methods are applied in such videos, the artifacts in the reconstruction of the shape and motion of the mouth area are often severe, since they do not match well with the speech audio. To overcome the aforementioned limitations, we present the first method for visual speech-aware perceptual reconstruction of 3D mouth expressions. We do this by proposing a "lipread" loss, which guides the fitting process so that the elicited perception from the 3D reconstructed talking head resembles that of the original video footage. We demonstrate that, interestingly, the lipread loss is better suited for 3D reconstruction of mouth movements compared to traditional landmark losses, and even direct 3D supervision. Furthermore, the devised method does not rely on any text transcriptions or corresponding audio, rendering it ideal for training in unlabeled datasets. We verify the efficiency of our method through exhaustive objective evaluations on three large-scale datasets, as well as subjective evaluation with two web-based user studies.

Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100\% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model's internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.

PreciseControl: Enhancing Text-To-Image Diffusion Models with Fine-Grained Attribute Control

Recently, we have seen a surge of personalization methods for text-to-image (T2I) diffusion models to learn a concept using a few images. Existing approaches, when used for face personalization, suffer to achieve convincing inversion with identity preservation and rely on semantic text-based editing of the generated face. However, a more fine-grained control is desired for facial attribute editing, which is challenging to achieve solely with text prompts. In contrast, StyleGAN models learn a rich face prior and enable smooth control towards fine-grained attribute editing by latent manipulation. This work uses the disentangled W+ space of StyleGANs to condition the T2I model. This approach allows us to precisely manipulate facial attributes, such as smoothly introducing a smile, while preserving the existing coarse text-based control inherent in T2I models. To enable conditioning of the T2I model on the W+ space, we train a latent mapper to translate latent codes from W+ to the token embedding space of the T2I model. The proposed approach excels in the precise inversion of face images with attribute preservation and facilitates continuous control for fine-grained attribute editing. Furthermore, our approach can be readily extended to generate compositions involving multiple individuals. We perform extensive experiments to validate our method for face personalization and fine-grained attribute editing.

Emotional Speech-Driven Animation with Content-Emotion Disentanglement

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.

DENTEX: An Abnormal Tooth Detection with Dental Enumeration and Diagnosis Benchmark for Panoramic X-rays

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 Language Models Using Follow-up Likelihood as Reward Signal

In natural human-to-human conversations, participants often receive feedback signals from one another based on their follow-up reactions. These reactions can include verbal responses, facial expressions, changes in emotional state, and other non-verbal cues. Similarly, in human-machine interactions, the machine can leverage the user's follow-up utterances as feedback signals to assess whether it has appropriately addressed the user's request. Therefore, we propose using the likelihood of follow-up utterances as rewards to differentiate preferred responses from less favored ones, without relying on human or commercial LLM-based preference annotations. Our proposed reward mechanism, ``Follow-up Likelihood as Reward" (FLR), matches the performance of strong reward models trained on large-scale human or GPT-4 annotated data on 8 pairwise-preference and 4 rating-based benchmarks. Building upon the FLR mechanism, we propose to automatically mine preference data from the online generations of a base policy model. The preference data are subsequently used to boost the helpfulness of the base model through direct alignment from preference (DAP) methods, such as direct preference optimization (DPO). Lastly, we demonstrate that fine-tuning the language model that provides follow-up likelihood with natural language feedback significantly enhances FLR's performance on reward modeling benchmarks and effectiveness in aligning the base policy model's helpfulness.

GeneFace++: Generalized and Stable Real-Time Audio-Driven 3D Talking Face Generation

Generating talking person portraits with arbitrary speech audio is a crucial problem in the field of digital human and metaverse. A modern talking face generation method is expected to achieve the goals of generalized audio-lip synchronization, good video quality, and high system efficiency. Recently, neural radiance field (NeRF) has become a popular rendering technique in this field since it could achieve high-fidelity and 3D-consistent talking face generation with a few-minute-long training video. However, there still exist several challenges for NeRF-based methods: 1) as for the lip synchronization, it is hard to generate a long facial motion sequence of high temporal consistency and audio-lip accuracy; 2) as for the video quality, due to the limited data used to train the renderer, it is vulnerable to out-of-domain input condition and produce bad rendering results occasionally; 3) as for the system efficiency, the slow training and inference speed of the vanilla NeRF severely obstruct its usage in real-world applications. In this paper, we propose GeneFace++ to handle these challenges by 1) utilizing the pitch contour as an auxiliary feature and introducing a temporal loss in the facial motion prediction process; 2) proposing a landmark locally linear embedding method to regulate the outliers in the predicted motion sequence to avoid robustness issues; 3) designing a computationally efficient NeRF-based motion-to-video renderer to achieves fast training and real-time inference. With these settings, GeneFace++ becomes the first NeRF-based method that achieves stable and real-time talking face generation with generalized audio-lip synchronization. Extensive experiments show that our method outperforms state-of-the-art baselines in terms of subjective and objective evaluation. Video samples are available at https://genefaceplusplus.github.io .

Model Cards for Model Reporting

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.

Interpretable Bangla Sarcasm Detection using BERT and Explainable AI

A positive phrase or a sentence with an underlying negative motive is usually defined as sarcasm that is widely used in today's social media platforms such as Facebook, Twitter, Reddit, etc. In recent times active users in social media platforms are increasing dramatically which raises the need for an automated NLP-based system that can be utilized in various tasks such as determining market demand, sentiment analysis, threat detection, etc. However, since sarcasm usually implies the opposite meaning and its detection is frequently a challenging issue, data meaning extraction through an NLP-based model becomes more complicated. As a result, there has been a lot of study on sarcasm detection in English over the past several years, and there's been a noticeable improvement and yet sarcasm detection in the Bangla language's state remains the same. In this article, we present a BERT-based system that can achieve 99.60\% while the utilized traditional machine learning algorithms are only capable of achieving 89.93\%. Additionally, we have employed Local Interpretable Model-Agnostic Explanations that introduce explainability to our system. Moreover, we have utilized a newly collected bangla sarcasm dataset, BanglaSarc that was constructed specifically for the evaluation of this study. This dataset consists of fresh records of sarcastic and non-sarcastic comments, the majority of which are acquired from Facebook and YouTube comment sections.

Learning to Stabilize Faces

Nowadays, it is possible to scan faces and automatically register them with high quality. However, the resulting face meshes often need further processing: we need to stabilize them to remove unwanted head movement. Stabilization is important for tasks like game development or movie making which require facial expressions to be cleanly separated from rigid head motion. Since manual stabilization is labor-intensive, there have been attempts to automate it. However, previous methods remain impractical: they either still require some manual input, produce imprecise alignments, rely on dubious heuristics and slow optimization, or assume a temporally ordered input. Instead, we present a new learning-based approach that is simple and fully automatic. We treat stabilization as a regression problem: given two face meshes, our network directly predicts the rigid transform between them that brings their skulls into alignment. We generate synthetic training data using a 3D Morphable Model (3DMM), exploiting the fact that 3DMM parameters separate skull motion from facial skin motion. Through extensive experiments we show that our approach outperforms the state-of-the-art both quantitatively and qualitatively on the tasks of stabilizing discrete sets of facial expressions as well as dynamic facial performances. Furthermore, we provide an ablation study detailing the design choices and best practices to help others adopt our approach for their own uses. Supplementary videos can be found on the project webpage syntec-research.github.io/FaceStab.

ExpLLM: Towards Chain of Thought for Facial Expression Recognition

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.

BAH Dataset for Ambivalence/Hesitancy Recognition in Videos for Behavioural Change

Recognizing complex emotions linked to ambivalence and hesitancy (A/H) can play a critical role in the personalization and effectiveness of digital behaviour change interventions. These subtle and conflicting emotions are manifested by a discord between multiple modalities, such as facial and vocal expressions, and body language. Although experts can be trained to identify A/H, integrating them into digital interventions is costly and less effective. Automatic learning systems provide a cost-effective alternative that can adapt to individual users, and operate seamlessly within real-time, and resource-limited environments. However, there are currently no datasets available for the design of ML models to recognize A/H. This paper introduces a first Behavioural Ambivalence/Hesitancy (BAH) dataset collected for subject-based multimodal recognition of A/H in videos. It contains videos from 224 participants captured across 9 provinces in Canada, with different age, and ethnicity. Through our web platform, we recruited participants to answer 7 questions, some of which were designed to elicit A/H while recording themselves via webcam with microphone. BAH amounts to 1,118 videos for a total duration of 8.26 hours with 1.5 hours of A/H. Our behavioural team annotated timestamp segments to indicate where A/H occurs, and provide frame- and video-level annotations with the A/H cues. Video transcripts and their timestamps are also included, along with cropped and aligned faces in each frame, and a variety of participants meta-data. We include results baselines for BAH at frame- and video-level recognition in multi-modal setups, in addition to zero-shot prediction, and for personalization using unsupervised domain adaptation. The limited performance of baseline models highlights the challenges of recognizing A/H in real-world videos. The data, code, and pretrained weights are available.

AVI-Talking: Learning Audio-Visual Instructions for Expressive 3D Talking Face Generation

While considerable progress has been made in achieving accurate lip synchronization for 3D speech-driven talking face generation, the task of incorporating expressive facial detail synthesis aligned with the speaker's speaking status remains challenging. Our goal is to directly leverage the inherent style information conveyed by human speech for generating an expressive talking face that aligns with the speaking status. In this paper, we propose AVI-Talking, an Audio-Visual Instruction system for expressive Talking face generation. This system harnesses the robust contextual reasoning and hallucination capability offered by Large Language Models (LLMs) to instruct the realistic synthesis of 3D talking faces. Instead of directly learning facial movements from human speech, our two-stage strategy involves the LLMs first comprehending audio information and generating instructions implying expressive facial details seamlessly corresponding to the speech. Subsequently, a diffusion-based generative network executes these instructions. This two-stage process, coupled with the incorporation of LLMs, enhances model interpretability and provides users with flexibility to comprehend instructions and specify desired operations or modifications. Extensive experiments showcase the effectiveness of our approach in producing vivid talking faces with expressive facial movements and consistent emotional status.

What indeed can GPT models do in chemistry? A comprehensive benchmark on eight tasks

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been rapidly applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to advance the field of chemistry remains unclear. In this paper,we establish a comprehensive benchmark containing 8 practical chemistry tasks, including 1) name prediction, 2) property prediction, 3) yield prediction, 4) reaction prediction, 5) retrosynthesis (prediction of reactants from products), 6)text-based molecule design, 7) molecule captioning, and 8) reagent selection. Our analysis draws on widely recognized datasets including BBBP, Tox21, PubChem, USPTO, and ChEBI, facilitating a broad exploration of the capacities of LLMs within the context of practical chemistry. Three GPT models (GPT-4, GPT-3.5,and Davinci-003) are evaluated for each chemistry task in zero-shot and few-shot in-context learning settings with carefully selected demonstration examples and specially crafted prompts. The key results of our investigation are 1) GPT-4 outperforms the other two models among the three evaluated; 2) GPT models exhibit less competitive performance in tasks demanding precise understanding of molecular SMILES representation, such as reaction prediction and retrosynthesis;3) GPT models demonstrate strong capabilities in text-related explanation tasks such as molecule captioning; and 4) GPT models exhibit comparable or better performance to classical machine learning models when applied to chemical problems that can be transformed into classification or ranking tasks, such as property prediction, and yield prediction.

FaceChain: A Playground for Human-centric Artificial Intelligence Generated Content

Recent advancement in personalized image generation have unveiled the intriguing capability of pre-trained text-to-image models on learning identity information from a collection of portrait images. However, existing solutions are vulnerable in producing truthful details, and usually suffer from several defects such as (i) The generated face exhibit its own unique characteristics, \ie facial shape and facial feature positioning may not resemble key characteristics of the input, and (ii) The synthesized face may contain warped, blurred or corrupted regions. In this paper, we present FaceChain, a personalized portrait generation framework that combines a series of customized image-generation model and a rich set of face-related perceptual understanding models (\eg, face detection, deep face embedding extraction, and facial attribute recognition), to tackle aforementioned challenges and to generate truthful personalized portraits, with only a handful of portrait images as input. Concretely, we inject several SOTA face models into the generation procedure, achieving a more efficient label-tagging, data-processing, and model post-processing compared to previous solutions, such as DreamBooth ~ruiz2023dreambooth , InstantBooth ~shi2023instantbooth , or other LoRA-only approaches ~hu2021lora . Besides, based on FaceChain, we further develop several applications to build a broader playground for better showing its value, including virtual try on and 2D talking head. We hope it can grow to serve the burgeoning needs from the communities. Note that this is an ongoing work that will be consistently refined and improved upon. FaceChain is open-sourced under Apache-2.0 license at https://github.com/modelscope/facechain.

Emotional Conversation: Empowering Talking Faces with Cohesive Expression, Gaze and Pose Generation

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

EmoFace: Audio-driven Emotional 3D Face Animation

Audio-driven emotional 3D face animation aims to generate emotionally expressive talking heads with synchronized lip movements. However, previous research has often overlooked the influence of diverse emotions on facial expressions or proved unsuitable for driving MetaHuman models. In response to this deficiency, we introduce EmoFace, a novel audio-driven methodology for creating facial animations with vivid emotional dynamics. Our approach can generate facial expressions with multiple emotions, and has the ability to generate random yet natural blinks and eye movements, while maintaining accurate lip synchronization. We propose independent speech encoders and emotion encoders to learn the relationship between audio, emotion and corresponding facial controller rigs, and finally map into the sequence of controller values. Additionally, we introduce two post-processing techniques dedicated to enhancing the authenticity of the animation, particularly in blinks and eye movements. Furthermore, recognizing the scarcity of emotional audio-visual data suitable for MetaHuman model manipulation, we contribute an emotional audio-visual dataset and derive control parameters for each frames. Our proposed methodology can be applied in producing dialogues animations of non-playable characters (NPCs) in video games, and driving avatars in virtual reality environments. Our further quantitative and qualitative experiments, as well as an user study comparing with existing researches show that our approach demonstrates superior results in driving 3D facial models. The code and sample data are available at https://github.com/SJTU-Lucy/EmoFace.

Exploring Vision Language Models for Facial Attribute Recognition: Emotion, Race, Gender, and Age

Technologies for recognizing facial attributes like race, gender, age, and emotion have several applications, such as surveillance, advertising content, sentiment analysis, and the study of demographic trends and social behaviors. Analyzing demographic characteristics based on images and analyzing facial expressions have several challenges due to the complexity of humans' facial attributes. Traditional approaches have employed CNNs and various other deep learning techniques, trained on extensive collections of labeled images. While these methods demonstrated effective performance, there remains potential for further enhancements. In this paper, we propose to utilize vision language models (VLMs) such as generative pre-trained transformer (GPT), GEMINI, large language and vision assistant (LLAVA), PaliGemma, and Microsoft Florence2 to recognize facial attributes such as race, gender, age, and emotion from images with human faces. Various datasets like FairFace, AffectNet, and UTKFace have been utilized to evaluate the solutions. The results show that VLMs are competitive if not superior to traditional techniques. Additionally, we propose "FaceScanPaliGemma"--a fine-tuned PaliGemma model--for race, gender, age, and emotion recognition. The results show an accuracy of 81.1%, 95.8%, 80%, and 59.4% for race, gender, age group, and emotion classification, respectively, outperforming pre-trained version of PaliGemma, other VLMs, and SotA methods. Finally, we propose "FaceScanGPT", which is a GPT-4o model to recognize the above attributes when several individuals are present in the image using a prompt engineered for a person with specific facial and/or physical attributes. The results underscore the superior multitasking capability of FaceScanGPT to detect the individual's attributes like hair cut, clothing color, postures, etc., using only a prompt to drive the detection and recognition tasks.

Chemical classification program synthesis using generative artificial intelligence

Accurately classifying chemical structures is essential for cheminformatics and bioinformatics, including tasks such as identifying bioactive compounds of interest, screening molecules for toxicity to humans, finding non-organic compounds with desirable material properties, or organizing large chemical libraries for drug discovery or environmental monitoring. However, manual classification is labor-intensive and difficult to scale to large chemical databases. Existing automated approaches either rely on manually constructed classification rules, or the use of deep learning methods that lack explainability. This work presents an approach that uses generative artificial intelligence to automatically write chemical classifier programs for classes in the Chemical Entities of Biological Interest (ChEBI) database. These programs can be used for efficient deterministic run-time classification of SMILES structures, with natural language explanations. The programs themselves constitute an explainable computable ontological model of chemical class nomenclature, which we call the ChEBI Chemical Class Program Ontology (C3PO). We validated our approach against the ChEBI database, and compared our results against state of the art deep learning models. We also demonstrate the use of C3PO to classify out-of-distribution examples taken from metabolomics repositories and natural product databases. We also demonstrate the potential use of our approach to find systematic classification errors in existing chemical databases, and show how an ensemble artificial intelligence approach combining generated ontologies, automated literature search, and multimodal vision models can be used to pinpoint potential errors requiring expert validation

MVPortrait: Text-Guided Motion and Emotion Control for Multi-view Vivid Portrait Animation

Recent portrait animation methods have made significant strides in generating realistic lip synchronization. However, they often lack explicit control over head movements and facial expressions, and cannot produce videos from multiple viewpoints, resulting in less controllable and expressive animations. Moreover, text-guided portrait animation remains underexplored, despite its user-friendly nature. We present a novel two-stage text-guided framework, MVPortrait (Multi-view Vivid Portrait), to generate expressive multi-view portrait animations that faithfully capture the described motion and emotion. MVPortrait is the first to introduce FLAME as an intermediate representation, effectively embedding facial movements, expressions, and view transformations within its parameter space. In the first stage, we separately train the FLAME motion and emotion diffusion models based on text input. In the second stage, we train a multi-view video generation model conditioned on a reference portrait image and multi-view FLAME rendering sequences from the first stage. Experimental results exhibit that MVPortrait outperforms existing methods in terms of motion and emotion control, as well as view consistency. Furthermore, by leveraging FLAME as a bridge, MVPortrait becomes the first controllable portrait animation framework that is compatible with text, speech, and video as driving signals.

MM-RLHF: The Next Step Forward in Multimodal LLM Alignment

Despite notable advancements in Multimodal Large Language Models (MLLMs), most state-of-the-art models have not undergone thorough alignment with human preferences. This gap exists because current alignment research has primarily achieved progress in specific areas (e.g., hallucination reduction), while the broader question of whether aligning models with human preferences can systematically enhance MLLM capability remains largely unexplored. To this end, we introduce MM-RLHF, a dataset containing 120k fine-grained, human-annotated preference comparison pairs. This dataset represents a substantial advancement over existing resources, offering superior size, diversity, annotation granularity, and quality. Leveraging this dataset, we propose several key innovations to improve both the quality of reward models and the efficiency of alignment algorithms. Notably, we introduce a Critique-Based Reward Model, which generates critiques of model outputs before assigning scores, offering enhanced interpretability and more informative feedback compared to traditional scalar reward mechanisms. Additionally, we propose Dynamic Reward Scaling, a method that adjusts the loss weight of each sample according to the reward signal, thereby optimizing the use of high-quality comparison pairs. Our approach is rigorously evaluated across 10 distinct dimensions and 27 benchmarks, with results demonstrating significant and consistent improvements in model performance. Specifically, fine-tuning LLaVA-ov-7B with MM-RLHF and our alignment algorithm leads to a 19.5% increase in conversational abilities and a 60% improvement in safety. We have open-sourced the preference dataset, reward model, training and evaluation code, as well as reward modeling and safety benchmarks. For more details, please visit our project page: https://mm-rlhf.github.io.

DAWN: Dynamic Frame Avatar with Non-autoregressive Diffusion Framework for Talking Head Video Generation

Talking head generation intends to produce vivid and realistic talking head videos from a single portrait and speech audio clip. Although significant progress has been made in diffusion-based talking head generation, almost all methods rely on autoregressive strategies, which suffer from limited context utilization beyond the current generation step, error accumulation, and slower generation speed. To address these challenges, we present DAWN (Dynamic frame Avatar With Non-autoregressive diffusion), a framework that enables all-at-once generation of dynamic-length video sequences. Specifically, it consists of two main components: (1) audio-driven holistic facial dynamics generation in the latent motion space, and (2) audio-driven head pose and blink generation. Extensive experiments demonstrate that our method generates authentic and vivid videos with precise lip motions, and natural pose/blink movements. Additionally, with a high generation speed, DAWN possesses strong extrapolation capabilities, ensuring the stable production of high-quality long videos. These results highlight the considerable promise and potential impact of DAWN in the field of talking head video generation. Furthermore, we hope that DAWN sparks further exploration of non-autoregressive approaches in diffusion models. Our code will be publicly at https://github.com/Hanbo-Cheng/DAWN-pytorch.

Primary and Secondary Factor Consistency as Domain Knowledge to Guide Happiness Computing in Online Assessment

Happiness computing based on large-scale online web data and machine learning methods is an emerging research topic that underpins a range of issues, from personal growth to social stability. Many advanced Machine Learning (ML) models with explanations are used to compute the happiness online assessment while maintaining high accuracy of results. However, domain knowledge constraints, such as the primary and secondary relations of happiness factors, are absent from these models, which limits the association between computing results and the right reasons for why they occurred. This article attempts to provide new insights into the explanation consistency from an empirical study perspective. Then we study how to represent and introduce domain knowledge constraints to make ML models more trustworthy. We achieve this through: (1) proving that multiple prediction models with additive factor attributions will have the desirable property of primary and secondary relations consistency, and (2) showing that factor relations with quantity can be represented as an importance distribution for encoding domain knowledge. Factor explanation difference is penalized by the Kullback-Leibler divergence-based loss among computing models. Experimental results using two online web datasets show that domain knowledge of stable factor relations exists. Using this knowledge not only improves happiness computing accuracy but also reveals more significative happiness factors for assisting decisions well.

Talk-to-Edit: Fine-Grained Facial Editing via Dialog

Facial editing is an important task in vision and graphics with numerous applications. However, existing works are incapable to deliver a continuous and fine-grained editing mode (e.g., editing a slightly smiling face to a big laughing one) with natural interactions with users. In this work, we propose Talk-to-Edit, an interactive facial editing framework that performs fine-grained attribute manipulation through dialog between the user and the system. Our key insight is to model a continual "semantic field" in the GAN latent space. 1) Unlike previous works that regard the editing as traversing straight lines in the latent space, here the fine-grained editing is formulated as finding a curving trajectory that respects fine-grained attribute landscape on the semantic field. 2) The curvature at each step is location-specific and determined by the input image as well as the users' language requests. 3) To engage the users in a meaningful dialog, our system generates language feedback by considering both the user request and the current state of the semantic field. We also contribute CelebA-Dialog, a visual-language facial editing dataset to facilitate large-scale study. Specifically, each image has manually annotated fine-grained attribute annotations as well as template-based textual descriptions in natural language. Extensive quantitative and qualitative experiments demonstrate the superiority of our framework in terms of 1) the smoothness of fine-grained editing, 2) the identity/attribute preservation, and 3) the visual photorealism and dialog fluency. Notably, user study validates that our overall system is consistently favored by around 80% of the participants. Our project page is https://www.mmlab-ntu.com/project/talkedit/.

IMBUE: Improving Interpersonal Effectiveness through Simulation and Just-in-time Feedback with Human-Language Model Interaction

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.

SEWA DB: A Rich Database for Audio-Visual Emotion and Sentiment Research in the Wild

Natural human-computer interaction and audio-visual human behaviour sensing systems, which would achieve robust performance in-the-wild are more needed than ever as digital devices are increasingly becoming an indispensable part of our life. Accurately annotated real-world data are the crux in devising such systems. However, existing databases usually consider controlled settings, low demographic variability, and a single task. In this paper, we introduce the SEWA database of more than 2000 minutes of audio-visual data of 398 people coming from six cultures, 50% female, and uniformly spanning the age range of 18 to 65 years old. Subjects were recorded in two different contexts: while watching adverts and while discussing adverts in a video chat. The database includes rich annotations of the recordings in terms of facial landmarks, facial action units (FAU), various vocalisations, mirroring, and continuously valued valence, arousal, liking, agreement, and prototypic examples of (dis)liking. This database aims to be an extremely valuable resource for researchers in affective computing and automatic human sensing and is expected to push forward the research in human behaviour analysis, including cultural studies. Along with the database, we provide extensive baseline experiments for automatic FAU detection and automatic valence, arousal and (dis)liking intensity estimation.

Investigating Subtler Biases in LLMs: Ageism, Beauty, Institutional, and Nationality Bias in Generative Models

LLMs are increasingly powerful and widely used to assist users in a variety of tasks. This use risks the introduction of LLM biases to consequential decisions such as job hiring, human performance evaluation, and criminal sentencing. Bias in NLP systems along the lines of gender and ethnicity has been widely studied, especially for specific stereotypes (e.g., Asians are good at math). In this paper, we investigate bias along less-studied but still consequential, dimensions, such as age and beauty, measuring subtler correlated decisions that LLMs make between social groups and unrelated positive and negative attributes. We ask whether LLMs hold wide-reaching biases of positive or negative sentiment for specific social groups similar to the ``what is beautiful is good'' bias found in people in experimental psychology. We introduce a template-generated dataset of sentence completion tasks that asks the model to select the most appropriate attribute to complete an evaluative statement about a person described as a member of a specific social group. We also reverse the completion task to select the social group based on an attribute. We report the correlations that we find for 4 cutting-edge LLMs. This dataset can be used as a benchmark to evaluate progress in more generalized biases and the templating technique can be used to expand the benchmark with minimal additional human annotation.

One-shot Talking Face Generation from Single-speaker Audio-Visual Correlation Learning

Audio-driven one-shot talking face generation methods are usually trained on video resources of various persons. However, their created videos often suffer unnatural mouth shapes and asynchronous lips because those methods struggle to learn a consistent speech style from different speakers. We observe that it would be much easier to learn a consistent speech style from a specific speaker, which leads to authentic mouth movements. Hence, we propose a novel one-shot talking face generation framework by exploring consistent correlations between audio and visual motions from a specific speaker and then transferring audio-driven motion fields to a reference image. Specifically, we develop an Audio-Visual Correlation Transformer (AVCT) that aims to infer talking motions represented by keypoint based dense motion fields from an input audio. In particular, considering audio may come from different identities in deployment, we incorporate phonemes to represent audio signals. In this manner, our AVCT can inherently generalize to audio spoken by other identities. Moreover, as face keypoints are used to represent speakers, AVCT is agnostic against appearances of the training speaker, and thus allows us to manipulate face images of different identities readily. Considering different face shapes lead to different motions, a motion field transfer module is exploited to reduce the audio-driven dense motion field gap between the training identity and the one-shot reference. Once we obtained the dense motion field of the reference image, we employ an image renderer to generate its talking face videos from an audio clip. Thanks to our learned consistent speaking style, our method generates authentic mouth shapes and vivid movements. Extensive experiments demonstrate that our synthesized videos outperform the state-of-the-art in terms of visual quality and lip-sync.

EmojiDiff: Advanced Facial Expression Control with High Identity Preservation in Portrait Generation

This paper aims to bring fine-grained expression control to identity-preserving portrait generation. Existing methods tend to synthesize portraits with either neutral or stereotypical expressions. Even when supplemented with control signals like facial landmarks, these models struggle to generate accurate and vivid expressions following user instructions. To solve this, we introduce EmojiDiff, an end-to-end solution to facilitate simultaneous dual control of fine expression and identity. Unlike the conventional methods using coarse control signals, our method directly accepts RGB expression images as input templates to provide extremely accurate and fine-grained expression control in the diffusion process. As its core, an innovative decoupled scheme is proposed to disentangle expression features in the expression template from other extraneous information, such as identity, skin, and style. On one hand, we introduce ID-irrelevant Data Iteration (IDI) to synthesize extremely high-quality cross-identity expression pairs for decoupled training, which is the crucial foundation to filter out identity information hidden in the expressions. On the other hand, we meticulously investigate network layer function and select expression-sensitive layers to inject reference expression features, effectively preventing style leakage from expression signals. To further improve identity fidelity, we propose a novel fine-tuning strategy named ID-enhanced Contrast Alignment (ICA), which eliminates the negative impact of expression control on original identity preservation. Experimental results demonstrate that our method remarkably outperforms counterparts, achieves precise expression control with highly maintained identity, and generalizes well to various diffusion models.

PMMTalk: Speech-Driven 3D Facial Animation from Complementary Pseudo Multi-modal Features

Speech-driven 3D facial animation has improved a lot recently while most related works only utilize acoustic modality and neglect the influence of visual and textual cues, leading to unsatisfactory results in terms of precision and coherence. We argue that visual and textual cues are not trivial information. Therefore, we present a novel framework, namely PMMTalk, using complementary Pseudo Multi-Modal features for improving the accuracy of facial animation. The framework entails three modules: PMMTalk encoder, cross-modal alignment module, and PMMTalk decoder. Specifically, the PMMTalk encoder employs the off-the-shelf talking head generation architecture and speech recognition technology to extract visual and textual information from speech, respectively. Subsequently, the cross-modal alignment module aligns the audio-image-text features at temporal and semantic levels. Then PMMTalk decoder is employed to predict lip-syncing facial blendshape coefficients. Contrary to prior methods, PMMTalk only requires an additional random reference face image but yields more accurate results. Additionally, it is artist-friendly as it seamlessly integrates into standard animation production workflows by introducing facial blendshape coefficients. Finally, given the scarcity of 3D talking face datasets, we introduce a large-scale 3D Chinese Audio-Visual Facial Animation (3D-CAVFA) dataset. Extensive experiments and user studies show that our approach outperforms the state of the art. We recommend watching the supplementary video.

Sentiment-enhanced Graph-based Sarcasm Explanation in Dialogue

Sarcasm Explanation in Dialogue (SED) is a new yet challenging task, which aims to generate a natural language explanation for the given sarcastic dialogue that involves multiple modalities (\ie utterance, video, and audio). Although existing studies have achieved great success based on the generative pretrained language model BART, they overlook exploiting the sentiments residing in the utterance, video and audio, which play important roles in reflecting sarcasm that essentially involves subtle sentiment contrasts. Nevertheless, it is non-trivial to incorporate sentiments for boosting SED performance, due to three main challenges: 1) diverse effects of utterance tokens on sentiments; 2) gap between video-audio sentiment signals and the embedding space of BART; and 3) various relations among utterances, utterance sentiments, and video-audio sentiments. To tackle these challenges, we propose a novel sEntiment-enhanceD Graph-based multimodal sarcasm Explanation framework, named EDGE. In particular, we first propose a lexicon-guided utterance sentiment inference module, where a heuristic utterance sentiment refinement strategy is devised. We then develop a module named Joint Cross Attention-based Sentiment Inference (JCA-SI) by extending the multimodal sentiment analysis model JCA to derive the joint sentiment label for each video-audio clip. Thereafter, we devise a context-sentiment graph to comprehensively model the semantic relations among the utterances, utterance sentiments, and video-audio sentiments, to facilitate sarcasm explanation generation. Extensive experiments on the publicly released dataset WITS verify the superiority of our model over cutting-edge methods.

Crossing the Linguistic Causeway: A Binational Approach for Translating Soundscape Attributes to Bahasa Melayu

Translation of perceptual descriptors such as the perceived affective quality attributes in the soundscape standard (ISO/TS 12913-2:2018) is an inherently intricate task, especially if the target language is used in multiple countries. Despite geographical proximity and a shared language of Bahasa Melayu (Standard Malay), differences in culture and language education policies between Singapore and Malaysia could invoke peculiarities in the affective appraisal of sounds. To generate provisional translations of the eight perceived affective attributes -- eventful, vibrant, pleasant, calm, uneventful, monotonous, annoying, and chaotic -- into Bahasa Melayu that is applicable in both Singapore and Malaysia, a binational expert-led approach supplemented by a quantitative evaluation framework was adopted. A set of preliminary translation candidates were developed via a four-stage process, firstly by a qualified translator, which was then vetted by linguistics experts, followed by examination via an experiential evaluation, and finally reviewed by the core research team. A total of 66 participants were then recruited cross-nationally to quantitatively evaluate the preliminary translation candidates. Of the eight attributes, cross-national differences were observed only in the translation of annoying. For instance, "menjengkelkan" was found to be significantly less understood in Singapore than in Malaysia, as well as less understandable than "membingitkan" within Singapore. Results of the quantitative evaluation also revealed the imperfect nature of foreign language translations for perceptual descriptors, which suggests a possibility for exploring corrective measures.

RealTalk: Real-time and Realistic Audio-driven Face Generation with 3D Facial Prior-guided Identity Alignment Network

Person-generic audio-driven face generation is a challenging task in computer vision. Previous methods have achieved remarkable progress in audio-visual synchronization, but there is still a significant gap between current results and practical applications. The challenges are two-fold: 1) Preserving unique individual traits for achieving high-precision lip synchronization. 2) Generating high-quality facial renderings in real-time performance. In this paper, we propose a novel generalized audio-driven framework RealTalk, which consists of an audio-to-expression transformer and a high-fidelity expression-to-face renderer. In the first component, we consider both identity and intra-personal variation features related to speaking lip movements. By incorporating cross-modal attention on the enriched facial priors, we can effectively align lip movements with audio, thus attaining greater precision in expression prediction. In the second component, we design a lightweight facial identity alignment (FIA) module which includes a lip-shape control structure and a face texture reference structure. This novel design allows us to generate fine details in real-time, without depending on sophisticated and inefficient feature alignment modules. Our experimental results, both quantitative and qualitative, on public datasets demonstrate the clear advantages of our method in terms of lip-speech synchronization and generation quality. Furthermore, our method is efficient and requires fewer computational resources, making it well-suited to meet the needs of practical applications.

Identity-Preserving Talking Face Generation with Landmark and Appearance Priors

Generating talking face videos from audio attracts lots of research interest. A few person-specific methods can generate vivid videos but require the target speaker's videos for training or fine-tuning. Existing person-generic methods have difficulty in generating realistic and lip-synced videos while preserving identity information. To tackle this problem, we propose a two-stage framework consisting of audio-to-landmark generation and landmark-to-video rendering procedures. First, we devise a novel Transformer-based landmark generator to infer lip and jaw landmarks from the audio. Prior landmark characteristics of the speaker's face are employed to make the generated landmarks coincide with the facial outline of the speaker. Then, a video rendering model is built to translate the generated landmarks into face images. During this stage, prior appearance information is extracted from the lower-half occluded target face and static reference images, which helps generate realistic and identity-preserving visual content. For effectively exploring the prior information of static reference images, we align static reference images with the target face's pose and expression based on motion fields. Moreover, auditory features are reused to guarantee that the generated face images are well synchronized with the audio. Extensive experiments demonstrate that our method can produce more realistic, lip-synced, and identity-preserving videos than existing person-generic talking face generation methods.

Fine-Tuning Discrete Diffusion Models via Reward Optimization with Applications to DNA and Protein Design

Recent studies have demonstrated the strong empirical performance of diffusion models on discrete sequences across domains from natural language to biological sequence generation. For example, in the protein inverse folding task, conditional diffusion models have achieved impressive results in generating natural-like sequences that fold back into the original structure. However, practical design tasks often require not only modeling a conditional distribution but also optimizing specific task objectives. For instance, we may prefer protein sequences with high stability. To address this, we consider the scenario where we have pre-trained discrete diffusion models that can generate natural-like sequences, as well as reward models that map sequences to task objectives. We then formulate the reward maximization problem within discrete diffusion models, analogous to reinforcement learning (RL), while minimizing the KL divergence against pretrained diffusion models to preserve naturalness. To solve this RL problem, we propose a novel algorithm, DRAKES, that enables direct backpropagation of rewards through entire trajectories generated by diffusion models, by making the originally non-differentiable trajectories differentiable using the Gumbel-Softmax trick. Our theoretical analysis indicates that our approach can generate sequences that are both natural-like and yield high rewards. While similar tasks have been recently explored in diffusion models for continuous domains, our work addresses unique algorithmic and theoretical challenges specific to discrete diffusion models, which arise from their foundation in continuous-time Markov chains rather than Brownian motion. Finally, we demonstrate the effectiveness of DRAKES in generating DNA and protein sequences that optimize enhancer activity and protein stability, respectively, important tasks for gene therapies and protein-based therapeutics.

ConsistentID: Portrait Generation with Multimodal Fine-Grained Identity Preserving

Diffusion-based technologies have made significant strides, particularly in personalized and customized facialgeneration. However, existing methods face challenges in achieving high-fidelity and detailed identity (ID)consistency, primarily due to insufficient fine-grained control over facial areas and the lack of a comprehensive strategy for ID preservation by fully considering intricate facial details and the overall face. To address these limitations, we introduce ConsistentID, an innovative method crafted for diverseidentity-preserving portrait generation under fine-grained multimodal facial prompts, utilizing only a single reference image. ConsistentID comprises two key components: a multimodal facial prompt generator that combines facial features, corresponding facial descriptions and the overall facial context to enhance precision in facial details, and an ID-preservation network optimized through the facial attention localization strategy, aimed at preserving ID consistency in facial regions. Together, these components significantly enhance the accuracy of ID preservation by introducing fine-grained multimodal ID information from facial regions. To facilitate training of ConsistentID, we present a fine-grained portrait dataset, FGID, with over 500,000 facial images, offering greater diversity and comprehensiveness than existing public facial datasets. % such as LAION-Face, CelebA, FFHQ, and SFHQ. Experimental results substantiate that our ConsistentID achieves exceptional precision and diversity in personalized facial generation, surpassing existing methods in the MyStyle dataset. Furthermore, while ConsistentID introduces more multimodal ID information, it maintains a fast inference speed during generation.

ChatAnything: Facetime Chat with LLM-Enhanced Personas

In this technical report, we target generating anthropomorphized personas for LLM-based characters in an online manner, including visual appearance, personality and tones, with only text descriptions. To achieve this, we first leverage the in-context learning capability of LLMs for personality generation by carefully designing a set of system prompts. We then propose two novel concepts: the mixture of voices (MoV) and the mixture of diffusers (MoD) for diverse voice and appearance generation. For MoV, we utilize the text-to-speech (TTS) algorithms with a variety of pre-defined tones and select the most matching one based on the user-provided text description automatically. For MoD, we combine the recent popular text-to-image generation techniques and talking head algorithms to streamline the process of generating talking objects. We termed the whole framework as ChatAnything. With it, users could be able to animate anything with any personas that are anthropomorphic using just a few text inputs. However, we have observed that the anthropomorphic objects produced by current generative models are often undetectable by pre-trained face landmark detectors, leading to failure of the face motion generation, even if these faces possess human-like appearances because those images are nearly seen during the training (e.g., OOD samples). To address this issue, we incorporate pixel-level guidance to infuse human face landmarks during the image generation phase. To benchmark these metrics, we have built an evaluation dataset. Based on it, we verify that the detection rate of the face landmark is significantly increased from 57.0% to 92.5% thus allowing automatic face animation based on generated speech content. The code and more results can be found at https://chatanything.github.io/.

Super(ficial)-alignment: Strong Models May Deceive Weak Models in Weak-to-Strong Generalization

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.

Dr-LLaVA: Visual Instruction Tuning with Symbolic Clinical Grounding

Vision-Language Models (VLM) can support clinicians by analyzing medical images and engaging in natural language interactions to assist in diagnostic and treatment tasks. However, VLMs often exhibit "hallucinogenic" behavior, generating textual outputs not grounded in contextual multimodal information. This challenge is particularly pronounced in the medical domain, where we do not only require VLM outputs to be accurate in single interactions but also to be consistent with clinical reasoning and diagnostic pathways throughout multi-turn conversations. For this purpose, we propose a new alignment algorithm that uses symbolic representations of clinical reasoning to ground VLMs in medical knowledge. These representations are utilized to (i) generate GPT-4-guided visual instruction tuning data at scale, simulating clinician-VLM conversations with demonstrations of clinical reasoning, and (ii) create an automatic reward function that evaluates the clinical validity of VLM generations throughout clinician-VLM interactions. Our algorithm eliminates the need for human involvement in training data generation or reward model construction, reducing costs compared to standard reinforcement learning with human feedback (RLHF). We apply our alignment algorithm to develop Dr-LLaVA, a conversational VLM finetuned for analyzing bone marrow pathology slides, demonstrating strong performance in multi-turn medical conversations.

M^{3}-20M: A Large-Scale Multi-Modal Molecule Dataset for AI-driven Drug Design and Discovery

This paper introduces M^{3}-20M, a large-scale Multi-Modal Molecular dataset that contains over 20 million molecules. Designed to support AI-driven drug design and discovery, M^{3}-20M is 71 times more in the number of molecules than the largest existing dataset, providing an unprecedented scale that can highly benefit training or fine-tuning large (language) models with superior performance for drug design and discovery. This dataset integrates one-dimensional SMILES, two-dimensional molecular graphs, three-dimensional molecular structures, physicochemical properties, and textual descriptions collected through web crawling and generated by using GPT-3.5, offering a comprehensive view of each molecule. To demonstrate the power of M^{3}-20M in drug design and discovery, we conduct extensive experiments on two key tasks: molecule generation and molecular property prediction, using large language models including GLM4, GPT-3.5, and GPT-4. Our experimental results show that M^{3}-20M can significantly boost model performance in both tasks. Specifically, it enables the models to generate more diverse and valid molecular structures and achieve higher property prediction accuracy than the existing single-modal datasets, which validates the value and potential of M^{3}-20M in supporting AI-driven drug design and discovery. The dataset is available at https://github.com/bz99bz/M-3.

We Care: Multimodal Depression Detection and Knowledge Infused Mental Health Therapeutic Response Generation

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%

FaceTalk: Audio-Driven Motion Diffusion for Neural Parametric Head Models

We introduce FaceTalk, a novel generative approach designed for synthesizing high-fidelity 3D motion sequences of talking human heads from input audio signal. To capture the expressive, detailed nature of human heads, including hair, ears, and finer-scale eye movements, we propose to couple speech signal with the latent space of neural parametric head models to create high-fidelity, temporally coherent motion sequences. We propose a new latent diffusion model for this task, operating in the expression space of neural parametric head models, to synthesize audio-driven realistic head sequences. In the absence of a dataset with corresponding NPHM expressions to audio, we optimize for these correspondences to produce a dataset of temporally-optimized NPHM expressions fit to audio-video recordings of people talking. To the best of our knowledge, this is the first work to propose a generative approach for realistic and high-quality motion synthesis of volumetric human heads, representing a significant advancement in the field of audio-driven 3D animation. Notably, our approach stands out in its ability to generate plausible motion sequences that can produce high-fidelity head animation coupled with the NPHM shape space. Our experimental results substantiate the effectiveness of FaceTalk, consistently achieving superior and visually natural motion, encompassing diverse facial expressions and styles, outperforming existing methods by 75% in perceptual user study evaluation.

MemeTector: Enforcing deep focus for meme detection

Image memes and specifically their widely-known variation image macros, is a special new media type that combines text with images and is used in social media to playfully or subtly express humour, irony, sarcasm and even hate. It is important to accurately retrieve image memes from social media to better capture the cultural and social aspects of online phenomena and detect potential issues (hate-speech, disinformation). Essentially, the background image of an image macro is a regular image easily recognized as such by humans but cumbersome for the machine to do so due to feature map similarity with the complete image macro. Hence, accumulating suitable feature maps in such cases can lead to deep understanding of the notion of image memes. To this end, we propose a methodology, called Visual Part Utilization, that utilizes the visual part of image memes as instances of the regular image class and the initial image memes as instances of the image meme class to force the model to concentrate on the critical parts that characterize an image meme. Additionally, we employ a trainable attention mechanism on top of a standard ViT architecture to enhance the model's ability to focus on these critical parts and make the predictions interpretable. Several training and test scenarios involving web-scraped regular images of controlled text presence are considered for evaluating the model in terms of robustness and accuracy. The findings indicate that light visual part utilization combined with sufficient text presence during training provides the best and most robust model, surpassing state of the art. Source code and dataset are available at https://github.com/mever-team/memetector.

PepTune: De Novo Generation of Therapeutic Peptides with Multi-Objective-Guided Discrete Diffusion

Peptide therapeutics, a major class of medicines, have achieved remarkable success across diseases such as diabetes and cancer, with landmark examples such as GLP-1 receptor agonists revolutionizing the treatment of type-2 diabetes and obesity. Despite their success, designing peptides that satisfy multiple conflicting objectives, such as target binding affinity, solubility, and membrane permeability, remains a major challenge. Classical drug development and structure-based design are ineffective for such tasks, as they fail to optimize global functional properties critical for therapeutic efficacy. Existing generative frameworks are largely limited to continuous spaces, unconditioned outputs, or single-objective guidance, making them unsuitable for discrete sequence optimization across multiple properties. To address this, we present PepTune, a multi-objective discrete diffusion model for the simultaneous generation and optimization of therapeutic peptide SMILES. Built on the Masked Discrete Language Model (MDLM) framework, PepTune ensures valid peptide structures with state-dependent masking schedules and penalty-based objectives. To guide the diffusion process, we propose a Monte Carlo Tree Search (MCTS)-based strategy that balances exploration and exploitation to iteratively refine Pareto-optimal sequences. MCTS integrates classifier-based rewards with search-tree expansion, overcoming gradient estimation challenges and data sparsity inherent to discrete spaces. Using PepTune, we generate diverse, chemically-modified peptides optimized for multiple therapeutic properties, including target binding affinity, membrane permeability, solubility, hemolysis, and non-fouling characteristics on various disease-relevant targets. In total, our results demonstrate that MCTS-guided discrete diffusion is a powerful and modular approach for multi-objective sequence design in discrete state spaces.

EasyPortrait -- Face Parsing and Portrait Segmentation Dataset

Recently, due to COVID-19 and the growing demand for remote work, video conferencing apps have become especially widespread. The most valuable features of video chats are real-time background removal and face beautification. While solving these tasks, computer vision researchers face the problem of having relevant data for the training stage. There is no large dataset with high-quality labeled and diverse images of people in front of a laptop or smartphone camera to train a lightweight model without additional approaches. To boost the progress in this area, we provide a new image dataset, EasyPortrait, for portrait segmentation and face parsing tasks. It contains 20,000 primarily indoor photos of 8,377 unique users, and fine-grained segmentation masks separated into 9 classes. Images are collected and labeled from crowdsourcing platforms. Unlike most face parsing datasets, in EasyPortrait, the beard is not considered part of the skin mask, and the inside area of the mouth is separated from the teeth. These features allow using EasyPortrait for skin enhancement and teeth whitening tasks. This paper describes the pipeline for creating a large-scale and clean image segmentation dataset using crowdsourcing platforms without additional synthetic data. Moreover, we trained several models on EasyPortrait and showed experimental results. Proposed dataset and trained models are publicly available.

NatureLM: Deciphering the Language of Nature for Scientific Discovery

Foundation models have revolutionized natural language processing and artificial intelligence, significantly enhancing how machines comprehend and generate human languages. Inspired by the success of these foundation models, researchers have developed foundation models for individual scientific domains, including small molecules, materials, proteins, DNA, and RNA. However, these models are typically trained in isolation, lacking the ability to integrate across different scientific domains. Recognizing that entities within these domains can all be represented as sequences, which together form the "language of nature", we introduce Nature Language Model (briefly, NatureLM), a sequence-based science foundation model designed for scientific discovery. Pre-trained with data from multiple scientific domains, NatureLM offers a unified, versatile model that enables various applications including: (i) generating and optimizing small molecules, proteins, RNA, and materials using text instructions; (ii) cross-domain generation/design, such as protein-to-molecule and protein-to-RNA generation; and (iii) achieving state-of-the-art performance in tasks like SMILES-to-IUPAC translation and retrosynthesis on USPTO-50k. NatureLM offers a promising generalist approach for various scientific tasks, including drug discovery (hit generation/optimization, ADMET optimization, synthesis), novel material design, and the development of therapeutic proteins or nucleotides. We have developed NatureLM models in different sizes (1 billion, 8 billion, and 46.7 billion parameters) and observed a clear improvement in performance as the model size increases.

ColBERT: Using BERT Sentence Embedding in Parallel Neural Networks for Computational Humor

Automation of humor detection and rating has interesting use cases in modern technologies, such as humanoid robots, chatbots, and virtual assistants. In this paper, we propose a novel approach for detecting and rating humor in short texts based on a popular linguistic theory of humor. The proposed technical method initiates by separating sentences of the given text and utilizing the BERT model to generate embeddings for each one. The embeddings are fed to separate lines of hidden layers in a neural network (one line for each sentence) to extract latent features. At last, the parallel lines are concatenated to determine the congruity and other relationships between the sentences and predict the target value. We accompany the paper with a novel dataset for humor detection consisting of 200,000 formal short texts. In addition to evaluating our work on the novel dataset, we participated in a live machine learning competition focused on rating humor in Spanish tweets. The proposed model obtained F1 scores of 0.982 and 0.869 in the humor detection experiments which outperform general and state-of-the-art models. The evaluation performed on two contrasting settings confirm the strength and robustness of the model and suggests two important factors in achieving high accuracy in the current task: 1) usage of sentence embeddings and 2) utilizing the linguistic structure of humor in designing the proposed model.