Daily Papers

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.

Masked Language Models (MLMs) have achieved remarkable success in many self-supervised representation learning tasks. MLMs are trained by randomly masking portions of the input sequences with [MASK] tokens and learning to reconstruct the original content based on the remaining context. This paper explores the impact of [MASK] tokens on MLMs. Analytical studies show that masking tokens can introduce the corrupted semantics problem, wherein the corrupted context may convey multiple, ambiguous meanings. This problem is also a key factor affecting the performance of MLMs on downstream tasks. Based on these findings, we propose a novel enhanced-context MLM, ExLM. Our approach expands [MASK] tokens in the input context and models the dependencies between these expanded states. This enhancement increases context capacity and enables the model to capture richer semantic information, effectively mitigating the corrupted semantics problem during pre-training. Experimental results demonstrate that ExLM achieves significant performance improvements in both text modeling and SMILES modeling tasks. Further analysis confirms that ExLM enriches semantic representations through context enhancement, and effectively reduces the semantic multimodality commonly observed in MLMs.

Large-scale pre-training methodologies for chemical language models represent a breakthrough in cheminformatics. These methods excel in tasks such as property prediction and molecule generation by learning contextualized representations of input tokens through self-supervised learning on large unlabeled corpora. Typically, this involves pre-training on unlabeled data followed by fine-tuning on specific tasks, reducing dependence on annotated datasets and broadening chemical language representation understanding. This paper introduces a large encoder-decoder chemical foundation models pre-trained on a curated dataset of 91 million SMILES samples sourced from PubChem, which is equivalent to 4 billion of molecular tokens. The proposed foundation model supports different complex tasks, including quantum property prediction, and offer flexibility with two main variants (289M and 8times289M). Our experiments across multiple benchmark datasets validate the capacity of the proposed model in providing state-of-the-art results for different tasks. We also provide a preliminary assessment of the compositionality of the embedding space as a prerequisite for the reasoning tasks. We demonstrate that the produced latent space is separable compared to the state-of-the-art with few-shot learning capabilities.

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

3D facial reconstruction from a single in-the-wild image is a crucial task in human-centered computer vision tasks. While existing methods can recover accurate facial shapes, there remains significant space for improvement in fine-grained expression capture. Current approaches struggle with irregular mouth shapes, exaggerated expressions, and asymmetrical facial movements. We present TEASER (Token EnhAnced Spatial modeling for Expressions Reconstruction), which addresses these challenges and enhances 3D facial geometry performance. TEASER tackles two main limitations of existing methods: insufficient photometric loss for self-reconstruction and inaccurate localization of subtle expressions. We introduce a multi-scale tokenizer to extract facial appearance information. Combined with a neural renderer, these tokens provide precise geometric guidance for expression reconstruction. Furthermore, TEASER incorporates a pose-dependent landmark loss to further improve geometric performances. Our approach not only significantly enhances expression reconstruction quality but also offers interpretable tokens suitable for various downstream applications, such as photorealistic facial video driving, expression transfer, and identity swapping. Quantitative and qualitative experimental results across multiple datasets demonstrate that TEASER achieves state-of-the-art performance in precise expression reconstruction.

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

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

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

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

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

We study the ability of transformer-based language models (LMs) to understand social media language. Social media (SM) language is distinct from standard written language, yet existing benchmarks fall short of capturing LM performance in this socially, economically, and politically important domain. We quantify the degree to which social media language differs from conventional language and conclude that the difference is significant both in terms of token distribution and rate of linguistic shift. Next, we introduce a new benchmark for Social MedIa Language Evaluation (SMILE) that covers four SM platforms and eleven tasks. Finally, we show that learning a tokenizer and pretraining on a mix of social media and conventional language yields an LM that outperforms the best similar-sized alternative by 4.2 points on the overall SMILE score.

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

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

We present Bloom Library, a linguistically diverse set of multimodal and multilingual datasets for language modeling, image captioning, visual storytelling, and speech synthesis/recognition. These datasets represent either the most, or among the most, multilingual datasets for each of the included downstream tasks. In total, the initial release of the Bloom Library datasets covers 363 languages across 32 language families. We train downstream task models for various languages represented in the data, showing the viability of the data for future work in low-resource, multimodal NLP and establishing the first known baselines for these downstream tasks in certain languages (e.g., Bisu [bzi], with an estimated population of 700 users). Some of these first-of-their-kind baselines are comparable to state-of-the-art performance for higher-resourced languages. The Bloom Library datasets are released under Creative Commons licenses on the Hugging Face datasets hub to catalyze more linguistically diverse research in the included downstream tasks.

Text-to-image diffusion models have demonstrated an unparalleled ability to generate high-quality, diverse images from a textual concept (e.g., "a doctor", "love"). However, the internal process of mapping text to a rich visual representation remains an enigma. In this work, we tackle the challenge of understanding concept representations in text-to-image models by decomposing an input text prompt into a small set of interpretable elements. This is achieved by learning a pseudo-token that is a sparse weighted combination of tokens from the model's vocabulary, with the objective of reconstructing the images generated for the given concept. Applied over the state-of-the-art Stable Diffusion model, this decomposition reveals non-trivial and surprising structures in the representations of concepts. For example, we find that some concepts such as "a president" or "a composer" are dominated by specific instances (e.g., "Obama", "Biden") and their interpolations. Other concepts, such as "happiness" combine associated terms that can be concrete ("family", "laughter") or abstract ("friendship", "emotion"). In addition to peering into the inner workings of Stable Diffusion, our method also enables applications such as single-image decomposition to tokens, bias detection and mitigation, and semantic image manipulation. Our code will be available at: https://hila-chefer.github.io/Conceptor/

Reinforcement learning from human feedback (RLHF) has been crucial in aligning large language models (LLMs) with human values. Traditionally, RLHF involves generating responses to a query and using a reward model to assign a reward to the entire response. However, this approach faces challenges due to its reliance on a single, sparse reward, which makes it challenging for the model to identify which parts of the sequence contribute most significantly to the final reward. Recent methods have attempted to address this limitation by introducing token-level rewards. However, these methods often rely on either a trained credit assignment model or AI annotators, raising concerns about the quality and reliability of the rewards. In this paper, we propose token-level reward regularization (T-REG), a novel approach that leverages both sequence-level and token-level rewards for preference optimization. Harnessing the self-refinement capabilities of LLMs, our method uses contrastive prompting to enable LLMs to self-generate token-level rewards. These self-generated rewards then act as reward regularization, guiding the model to more effectively distribute sequence-level rewards across tokens. This facilitates better token-level credit assignment and enhances alignment performance. Experiments on the instruction following benchmarks, including Alpaca Eval 2 and Arena-Hard, show that our method consistently outperforms baseline methods by up to 3.8% and 4.4%, respectively. We will release the code and models at https://github.com/wzhouad/T-REG.

Recent advancements in vision-language models (VLMs) have expanded their potential for real-world applications, enabling these models to perform complex reasoning on images. In the widely used fully autoregressive transformer-based models like LLaVA, projected visual tokens are prepended to textual tokens. Oftentimes, visual tokens are significantly more than prompt tokens, resulting in increased computational overhead during both training and inference. In this paper, we propose Visual Compact Token Registers (Victor), a method that reduces the number of visual tokens by summarizing them into a smaller set of register tokens. Victor adds a few learnable register tokens after the visual tokens and summarizes the visual information into these registers using the first few layers in the language tower of VLMs. After these few layers, all visual tokens are discarded, significantly improving computational efficiency for both training and inference. Notably, our method is easy to implement and requires a small number of new trainable parameters with minimal impact on model performance. In our experiment, with merely 8 visual registers--about 1% of the original tokens--Victor shows less than a 4% accuracy drop while reducing the total training time by 43% and boosting the inference throughput by 3.3X.

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

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

Existing visual parsers for molecule diagrams translate pixel-based raster images such as PNGs to chemical structure representations (e.g., SMILES). However, PDFs created by word processors including LaTeX and Word provide explicit locations and shapes for characters, lines, and polygons. We extract symbols from born-digital PDF molecule images and then apply simple graph transformations to capture both visual and chemical structure in editable ChemDraw files (CDXML). Our fast ( PDF rightarrow visual graph rightarrow chemical graph ) pipeline does not require GPUs, Optical Character Recognition (OCR) or vectorization. We evaluate on standard benchmarks using SMILES strings, along with a novel evaluation that provides graph-based metrics and error compilation using LgEval. The geometric information in born-digital PDFs produces a highly accurate parser, motivating generating training data for visual parsers that recognize from raster images, with extracted graphics, visual structure, and chemical structure as annotations. To do this we render SMILES strings in Indigo, parse molecule structure, and then validate recognized structure to select correct files.

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

Large Language Models (LLMs) are increasingly being integrated into services such as ChatGPT to provide responses to user queries. To mitigate potential harm and prevent misuse, there have been concerted efforts to align the LLMs with human values and legal compliance by incorporating various techniques, such as Reinforcement Learning from Human Feedback (RLHF), into the training of the LLMs. However, recent research has exposed that even aligned LLMs are susceptible to adversarial manipulations known as Jailbreak Attacks. To address this challenge, this paper proposes a method called Token Highlighter to inspect and mitigate the potential jailbreak threats in the user query. Token Highlighter introduced a concept called Affirmation Loss to measure the LLM's willingness to answer the user query. It then uses the gradient of Affirmation Loss for each token in the user query to locate the jailbreak-critical tokens. Further, Token Highlighter exploits our proposed Soft Removal technique to mitigate the jailbreak effects of critical tokens via shrinking their token embeddings. Experimental results on two aligned LLMs (LLaMA-2 and Vicuna-V1.5) demonstrate that the proposed method can effectively defend against a variety of Jailbreak Attacks while maintaining competent performance on benign questions of the AlpacaEval benchmark. In addition, Token Highlighter is a cost-effective and interpretable defense because it only needs to query the protected LLM once to compute the Affirmation Loss and can highlight the critical tokens upon refusal.

Numerous methods have been developed to monitor the spread of negativity in modern years by eliminating vulgar, offensive, and fierce comments from social media platforms. However, there are relatively lesser amounts of study that converges on embracing positivity, reinforcing supportive and reassuring content in online forums. Consequently, we propose creating an English-Kannada Hope speech dataset, KanHope and comparing several experiments to benchmark the dataset. The dataset consists of 6,176 user-generated comments in code mixed Kannada scraped from YouTube and manually annotated as bearing hope speech or Not-hope speech. In addition, we introduce DC-BERT4HOPE, a dual-channel model that uses the English translation of KanHope for additional training to promote hope speech detection. The approach achieves a weighted F1-score of 0.756, bettering other models. Henceforth, KanHope aims to instigate research in Kannada while broadly promoting researchers to take a pragmatic approach towards online content that encourages, positive, and supportive.

The disconnect between tokenizer creation and model training in language models has been known to allow for certain inputs, such as the infamous SolidGoldMagikarp token, to induce unwanted behaviour. Although such `glitch tokens' that are present in the tokenizer vocabulary, but are nearly or fully absent in training, have been observed across a variety of different models, a consistent way of identifying them has been missing. We present a comprehensive analysis of Large Language Model (LLM) tokenizers, specifically targeting this issue of detecting untrained and under-trained tokens. Through a combination of tokenizer analysis, model weight-based indicators, and prompting techniques, we develop effective methods for automatically detecting these problematic tokens. Our findings demonstrate the prevalence of such tokens across various models and provide insights into improving the efficiency and safety of language models.

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.

We introduce Functional Group-Aware Representations for Small Molecules (FARM), a novel foundation model designed to bridge the gap between SMILES, natural language, and molecular graphs. The key innovation of FARM lies in its functional group-aware tokenization, which incorporates functional group information directly into the representations. This strategic reduction in tokenization granularity in a way that is intentionally interfaced with key drivers of functional properties (i.e., functional groups) enhances the model's understanding of chemical language, expands the chemical lexicon, more effectively bridging SMILES and natural language, and ultimately advances the model's capacity to predict molecular properties. FARM also represents molecules from two perspectives: by using masked language modeling to capture atom-level features and by employing graph neural networks to encode the whole molecule topology. By leveraging contrastive learning, FARM aligns these two views of representations into a unified molecular embedding. We rigorously evaluate FARM on the MoleculeNet dataset, where it achieves state-of-the-art performance on 10 out of 12 tasks. These results highlight FARM's potential to improve molecular representation learning, with promising applications in drug discovery and pharmaceutical research.

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

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.

Self-supervised learning (SSL) proficiency in speech-related tasks has driven research into utilizing discrete tokens for speech tasks like recognition and translation, which offer lower storage requirements and great potential to employ natural language processing techniques. However, these studies, mainly single-task focused, faced challenges like overfitting and performance degradation in speech recognition tasks, often at the cost of sacrificing performance in multi-task scenarios. This study presents a comprehensive comparison and optimization of discrete tokens generated by various leading SSL models in speech recognition and synthesis tasks. We aim to explore the universality of speech discrete tokens across multiple speech tasks. Experimental results demonstrate that discrete tokens achieve comparable results against systems trained on FBank features in speech recognition tasks and outperform mel-spectrogram features in speech synthesis in subjective and objective metrics. These findings suggest that universal discrete tokens have enormous potential in various speech-related tasks. Our work is open-source and publicly available at https://github.com/k2-fsa/icefall.

This paper presents Att-HACK, the first large database of acted speech with social attitudes. Available databases of expressive speech are rare and very often restricted to the primary emotions: anger, joy, sadness, fear. This greatly limits the scope of the research on expressive speech. Besides, a fundamental aspect of speech prosody is always ignored and missing from such databases: its variety, i.e. the possibility to repeat an utterance while varying its prosody. This paper represents a first attempt to widen the scope of expressivity in speech, by providing a database of acted speech with social attitudes: friendly, seductive, dominant, and distant. The proposed database comprises 25 speakers interpreting 100 utterances in 4 social attitudes, with 3-5 repetitions each per attitude for a total of around 30 hours of speech. The Att-HACK is freely available for academic research under a Creative Commons Licence.

Large Language Models (LLMs) have demonstrated impressive problem-solving capabilities in mathematics through step-by-step reasoning chains. However, they are susceptible to reasoning errors that impact the quality of subsequent reasoning chains and the final answer due to language models' autoregressive token-by-token generating nature. Recent works have proposed adopting external verifiers to guide the generation of reasoning paths, but existing works utilize models that have been trained with step-by-step labels to assess the correctness of token-by-token reasoning chains. Consequently, they struggle to recognize discriminative details of tokens within a reasoning path and lack the ability to evaluate whether an intermediate reasoning path is on a promising track toward the correct final answer. To amend the lack of sound and token-grained math-verification signals, we devise a novel training scheme for verifiers that apply token-level supervision with the expected cumulative reward (i.e., value). Furthermore, we propose a practical formulation of the cumulative reward by reducing it to finding the probability of future correctness of the final answer and thereby enabling the empirical estimation of the value. Experimental results on mathematical reasoning benchmarks show that Token-Supervised Value Model (TVM) can outperform step-by-step verifiers on GSM8K and MATH with Mistral and Llama.

Instant messaging has become a predominant form of communication, with texts and emoticons enabling users to express emotions and ideas efficiently. Emoticons, in particular, have gained significant traction as a medium for conveying sentiments and information, leading to the growing importance of emoticon retrieval and recommendation systems. However, one of the key challenges in this area has been the absence of datasets that capture both the temporal dynamics and user-specific interactions with emoticons, limiting the progress of personalized user modeling and recommendation approaches. To address this, we introduce the emoticon dataset, a comprehensive resource that includes time-based data along with anonymous user identifiers across different conversations. As the largest publicly accessible emoticon dataset to date, it comprises 22K unique users, 370K emoticons, and 8.3M messages. The data was collected from a widely-used messaging platform across 67 conversations and 720 hours of crawling. Strict privacy and safety checks were applied to ensure the integrity of both text and image data. Spanning across 10 distinct domains, the emoticon dataset provides rich insights into temporal, multilingual, and cross-domain behaviors, which were previously unavailable in other emoticon-based datasets. Our in-depth experiments, both quantitative and qualitative, demonstrate the dataset's potential in modeling user behavior and personalized recommendation systems, opening up new possibilities for research in personalized retrieval and conversational AI. The dataset is freely accessible.

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

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.

Recent advancements in vision-language models have enhanced performance by increasing the length of visual tokens, making them much longer than text tokens and significantly raising computational costs. However, we observe that the visual tokens generated by popular vision encoders, such as CLIP and SigLIP, contain significant redundancy. To address this, we introduce VisionZip, a simple yet effective method that selects a set of informative tokens for input to the language model, reducing visual token redundancy and improving efficiency while maintaining model performance. The proposed VisionZip can be widely applied to image and video understanding tasks and is well-suited for multi-turn dialogues in real-world scenarios, where previous methods tend to underperform. Experimental results show that VisionZip outperforms the previous state-of-the-art method by at least 5% performance gains across nearly all settings. Moreover, our method significantly enhances model inference speed, improving the prefilling time by 8x and enabling the LLaVA-Next 13B model to infer faster than the LLaVA-Next 7B model while achieving better results. Furthermore, we analyze the causes of this redundancy and encourage the community to focus on extracting better visual features rather than merely increasing token length. Our code is available at https://github.com/dvlab-research/VisionZip .

The visual projector serves as an essential bridge between the visual encoder and the Large Language Model (LLM) in a Multimodal LLM (MLLM). Typically, MLLMs adopt a simple MLP to preserve all visual contexts via one-to-one transformation. However, the visual tokens are redundant and can be considerably increased when dealing with high-resolution images, impairing the efficiency of MLLMs significantly. Some recent works have introduced resampler or abstractor to reduce the number of resulting visual tokens. Unfortunately, they fail to capture finer details and undermine the visual reasoning capabilities of MLLMs. In this work, we propose a novel visual projector, which adopts a coarse-to-fine scheme to inject the enriched characteristics to generate the condensed visual tokens. In specific, we first interpolate the visual features as a low-resolution point query, providing the overall visual representation as the foundation. Then, we introduce a region-to-point injection module that utilizes high-resolution, multi-level region-based cues as fine-grained reference keys and values, allowing them to be fully absorbed within the corresponding local context region. This step effectively updates the coarse point query, transforming it into an enriched one for the subsequent LLM reasoning. Extensive experiments demonstrate that our approach compresses the visual tokens by 75%~89%, while achieves comparable or even better performance across diverse benchmarks with significantly higher efficiency. The source codes can be found at https://github.com/CircleRadon/TokenPacker.

Generative models, widely utilized in various applications, can often struggle with prompts corresponding to partial tokens. This struggle stems from tokenization, where partial tokens fall out of distribution during inference, leading to incorrect or nonsensical outputs. This paper examines a technique to alleviate the tokenization artifact on text completion in generative models, maintaining performance even in regular non-subword cases. The method, termed token alignment, involves backtracking to the last complete tokens and ensuring the model's generation aligns with the prompt. This approach showcases marked improvement across many partial token scenarios, including nuanced cases like space-prefix and partial indentation, with only a minor time increase. The technique and analysis detailed in this paper contribute to the continuous advancement of generative models in handling partial inputs, bearing relevance for applications like code completion and text autocompletion.

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