Thao Nguyen

Samir Yitzhak Gadre, Gabriel Ilharco, Alex Fang et al. · allen-ai, stanford

Multimodal datasets are a critical component in recent breakthroughs such as Stable Diffusion and GPT-4, yet their design does not receive the same research attention as model architectures or training algorithms. To address this shortcoming in the ML ecosystem, we introduce DataComp, a testbed for dataset experiments centered around a new candidate pool of 12.8 billion image-text pairs from Common Crawl. Participants in our benchmark design new filtering techniques or curate new data sources and then evaluate their new dataset by running our standardized CLIP training code and testing the resulting model on 38 downstream test sets. Our benchmark consists of multiple compute scales spanning four orders of magnitude, which enables the study of scaling trends and makes the benchmark accessible to researchers with varying resources. Our baseline experiments show that the DataComp workflow leads to better training sets. In particular, our best baseline, DataComp-1B, enables training a CLIP ViT-L/14 from scratch to 79.2% zero-shot accuracy on ImageNet, outperforming OpenAI's CLIP ViT-L/14 by 3.7 percentage points while using the same training procedure and compute. We release DataComp and all accompanying code at www.datacomp.ai.

Thao Nguyen, Gabriel Ilharco, Mitchell Wortsman et al.

Web-crawled datasets have enabled remarkable generalization capabilities in recent image-text models such as CLIP (Contrastive Language-Image pre-training) or Flamingo, but little is known about the dataset creation processes. In this work, we introduce a testbed of six publicly available data sources - YFCC, LAION, Conceptual Captions, WIT, RedCaps, Shutterstock - to investigate how pre-training distributions induce robustness in CLIP. We find that the performance of the pre-training data varies substantially across distribution shifts, with no single data source dominating. Moreover, we systematically study the interactions between these data sources and find that combining multiple sources does not necessarily yield better models, but rather dilutes the robustness of the best individual data source. We complement our empirical findings with theoretical insights from a simple setting, where combining the training data also results in diluted robustness. In addition, our theoretical model provides a candidate explanation for the success of the CLIP-based data filtering technique recently employed in the LAION dataset. Overall our results demonstrate that simply gathering a large amount of data from the web is not the most effective way to build a pre-training dataset for robust generalization, necessitating further study into dataset design. Code is available at https://github.com/mlfoundations/clip_quality_not_quantity.

Thao Nguyen, Heng Ji

We present MolLingo, a multi-agent system that emulates the reasoning process of a chemist to automate molecular design. Existing LLM-based approaches either operate as standalone generative models without access to external tools or lack the multi-agent coordination and shared memory needed for iterative, evidence-driven reasoning across the molecular design pipeline. MolLingo addresses this by coordinating a Literature Agent, a Chemist Agent, and an Orchestrator through a shared memory module, with each agent equipped with domain-specific tools. To enable effective molecular reasoning, we introduce BRICS-based Fragment Enumeration (BFE), a synthesis-aware molecular fragmentation method that decomposes molecules into chemically meaningful building blocks represented as block-based SMILES paired with common chemical names. This representation bridges molecular structure and LLM semantic space, enabling block-level reasoning and editing that is difficult with raw SMILES alone. As a case study in early-stage therapeutic design, MolLingo further grounds the Chemist Agent's reasoning in binding site geometry and residue-level protein context derived from molecular docking to optimize molecules for stronger target binding. Across four benchmarks, MolLingo consistently outperforms frontier LLMs and specialized baselines, including a fourfold docking score improvement over GPT-5.4 despite using the same underlying model, consistent drug property optimization gains across multiple LLM backbones, and state-of-the-art results on TOMG-Bench, surpassing both frontier LLMs and the RL-based optimization method RePO. Our results suggest that LLMs are already capable molecular design assistants when guided through chemically meaningful representations and biologically grounded structural context. Code is available at: https://anonymous.4open.science/status/MolLingo-7450.

Thao Nguyen, Krishna Kumar Singh, Donghyun Kim et al.

We study the personal camera roll visual question answering setting. In this setting, a conversational AI assistant can access a user's personal camera roll and retrieve relevant photos to answer queries, ranging from simple factual questions (e.g., ``Name of the food I tried yesterday?'') to more open-ended ones (e.g., ``Recommend some dishes I have never eaten before''). Given the vast nature of the personal camera roll (i.e., multiple years, hundreds to thousands of photos), a successful AI assistant needs to understand a long-horizon, highly personalized visual content stream in order to navigate and locate the correct and/or relevant information. To support this, we collect and manually annotate questions that mimic real-world usage. The final dataset, camroll, contains 50 users, 31,476 images, and 2,500 QA pairs. We further design camroll-agent, a conversational AI agent equipped with hierarchical memory and a minimal set of tools for efficient navigation over large, personalized visual memory. Experimental results show that camroll-agent outperforms numerous baselines and methods for long-context understanding AI agents system. Together, the camroll dataset and camroll-agent highlight the gap in AI agents' long-context reasoning: personalized visual memory requires different approaches from standard long-context textual memory, especially when consistency, visual details, and user-specific context are present.

Thao Nguyen, Samir Yitzhak Gadre, Gabriel Ilharco et al.

Massive web datasets play a key role in the success of large vision-language models like CLIP and Flamingo. However, the raw web data is noisy, and existing filtering methods to reduce noise often come at the expense of data diversity. Our work focuses on caption quality as one major source of noise, and studies how generated captions can increase the utility of web-scraped datapoints with nondescript text. Through exploring different mixing strategies for raw and generated captions, we outperform the best filtering method proposed by the DataComp benchmark by 2% on ImageNet and 4% on average across 38 tasks, given a candidate pool of 128M image-text pairs. Our best approach is also 2x better at Flickr and MS-COCO retrieval. We then analyze what makes synthetic captions an effective source of text supervision. In experimenting with different image captioning models, we also demonstrate that the performance of a model on standard image captioning benchmarks (e.g., NoCaps CIDEr) is not a reliable indicator of the utility of the captions it generates for multimodal training. Finally, our experiments with using generated captions at DataComp's large scale (1.28B image-text pairs) offer insights into the limitations of synthetic text, as well as the importance of image curation with increasing training data quantity. The synthetic captions used in our experiments are now available on HuggingFace.

Vivek Ramanujan, Thao Nguyen, Sewoong Oh et al.

Pre-training has been widely adopted in deep learning to improve model performance, especially when the training data for a target task is limited. In our work, we seek to understand the implications of this training strategy on the generalization properties of downstream models. More specifically, we ask the following question: how do properties of the pre-training distribution affect the robustness of a fine-tuned model? The properties we explore include the label space, label semantics, image diversity, data domains, and data quantity of the pre-training distribution. We find that the primary factor influencing downstream effective robustness (Taori et al., 2020) is data quantity, while other factors have limited significance. For example, reducing the number of ImageNet pre-training classes by 4x while increasing the number of images per class by 4x (that is, keeping total data quantity fixed) does not impact the robustness of fine-tuned models. We demonstrate our findings on pre-training distributions drawn from various natural and synthetic data sources, primarily using the iWildCam-WILDS distribution shift as a test for downstream robustness.

Simon Kornblith, Lala Li, Zirui Wang et al. · cmu

Image captioning is conventionally formulated as the task of generating captions for images that match the distribution of reference image-caption pairs. However, reference captions in standard captioning datasets are short and may not uniquely identify the images they describe. These problems are further exacerbated when models are trained directly on image-alt text pairs collected from the internet. In this work, we show that it is possible to generate more specific captions with minimal changes to the training process. We implement classifier-free guidance for an autoregressive captioning model by fine-tuning it to estimate both conditional and unconditional distributions over captions. The guidance scale applied at decoding controls a trade-off between maximizing $p(\mathrm{caption}|\mathrm{image})$ and $p(\mathrm{image}|\mathrm{caption})$. Compared to standard greedy decoding, decoding with a guidance scale of 2 substantially improves reference-free metrics such as CLIPScore (0.808 vs. 0.775) and caption$\to$image retrieval performance in the CLIP embedding space (recall@1 44.6% vs. 26.5%), but worsens standard reference-based captioning metrics (e.g., CIDEr 78.6 vs 126.1). We further explore the use of language models to guide the decoding process, obtaining small improvements over the Pareto frontier of reference-free vs. reference-based captioning metrics that arises from classifier-free guidance, and substantially improving the quality of captions generated from a model trained only on minimally curated web data.

Thao Nguyen, Yuheng Li, Utkarsh Ojha et al.

Text-conditioned image editing has emerged as a powerful tool for editing images. However, in many situations, language can be ambiguous and ineffective in describing specific image edits. When faced with such challenges, visual prompts can be a more informative and intuitive way to convey ideas. We present a method for image editing via visual prompting. Given pairs of example that represent the "before" and "after" images of an edit, our goal is to learn a text-based editing direction that can be used to perform the same edit on new images. We leverage the rich, pretrained editing capabilities of text-to-image diffusion models by inverting visual prompts into editing instructions. Our results show that with just one example pair, we can achieve competitive results compared to state-of-the-art text-conditioned image editing frameworks.

Kaiping Zheng, Thao Nguyen, Jesslyn Hwei Sing Chong et al.

Singapore has been striving to improve the provision of healthcare services to her people. In this course, the government has taken note of the deficiency in regulating and supervising people's nutrient intake, which is identified as a contributing factor to the development of chronic diseases. Consequently, this issue has garnered significant attention. In this paper, we share our experience in addressing this issue and attaining medical-grade nutrient intake information to benefit Singaporeans in different aspects. To this end, we develop the FoodSG platform to incubate diverse healthcare-oriented applications as a service in Singapore, taking into account their shared requirements. We further identify the profound meaning of localized food datasets and systematically clean and curate a localized Singaporean food dataset FoodSG-233. To overcome the hurdle in recognition performance brought by Singaporean multifarious food dishes, we propose to integrate supervised contrastive learning into our food recognition model FoodSG-SCL for the intrinsic capability to mine hard positive/negative samples and therefore boost the accuracy. Through a comprehensive evaluation, we present performance results of the proposed model and insights on food-related healthcare applications. The FoodSG-233 dataset has been released in https://foodlg.comp.nus.edu.sg/.

Thao Nguyen, Vladislav Hrosinkov, Eric Rosen et al.

Object search is a challenging task because when given complex language descriptions (e.g., "find the white cup on the table"), the robot must move its camera through the environment and recognize the described object. Previous works map language descriptions to a set of fixed object detectors with predetermined noise models, but these approaches are challenging to scale because new detectors need to be made for each object. In this work, we bridge the gap in realistic object search by posing the search problem as a partially observable Markov decision process (POMDP) where the object detector and visual sensor noise in the observation model is determined by a single Deep Neural Network conditioned on complex language descriptions. We incorporate the neural network's outputs into our language-conditioned observation model (LCOM) to represent dynamically changing sensor noise. With an LCOM, any language description of an object can be used to generate an appropriate object detector and noise model, and training an LCOM only requires readily available supervised image-caption datasets. We empirically evaluate our method by comparing against a state-of-the-art object search algorithm in simulation, and demonstrate that planning with our observation model yields a significantly higher average task completion rate (from 0.46 to 0.66) and more efficient and quicker object search than with a fixed-noise model. We demonstrate our method on a Boston Dynamics Spot robot, enabling it to handle complex natural language object descriptions and efficiently find objects in a room-scale environment.

Viet Nguyen, Thao Nguyen, Vishal M. Patel et al.

Long-term memory is increasingly important for personalized AI agents, yet existing benchmarks and methods remain largely text-centric. Even when images are included, the user-specific information needed for later questions is typically recoverable from text alone, and most memory systems reduce image turns to generic captions. Yet images often carry personal information that text rarely states -- both explicit evidence, such as recurring user-associated entities, and implicit evidence, such as latent user facts inferred from visual or multimodal cues. We introduce a benchmark for personal visual memory that targets both forms of evidence, and propose VisualMem, a hybrid visual--text architecture that augments a text-memory backend with a structured personal visual memory module. Rather than collapsing images into captions, VisualMem uses conversational context to resolve identity, ownership, and durable user facts. Experiments show that VisualMem substantially outperforms prior memory systems on our benchmark while remaining competitive on standard text-memory benchmarks, indicating that personal visual memory is a distinct and important component of long-term memory for personalized AI agents.

Vinh Luong, Sang Dinh, Shruti Raghavan et al.

Large Language Models (LLMs) have shown remarkable capabilities, but their inherent probabilistic nature often leads to inconsistency and inaccuracy in complex problem-solving tasks. This paper introduces DANA (Domain-Aware Neurosymbolic Agent), an architecture that addresses these issues by integrating domain-specific knowledge with neurosymbolic approaches. We begin by analyzing current AI architectures, including AutoGPT, LangChain ReAct and OpenAI's ChatGPT, through a neurosymbolic lens, highlighting how their reliance on probabilistic inference contributes to inconsistent outputs. In response, DANA captures and applies domain expertise in both natural-language and symbolic forms, enabling more deterministic and reliable problem-solving behaviors. We implement a variant of DANA using Hierarchical Task Plans (HTPs) in the open-source OpenSSA framework. This implementation achieves over 90\% accuracy on the FinanceBench financial-analysis benchmark, significantly outperforming current LLM-based systems in both consistency and accuracy. Application of DANA in physical industries such as semiconductor shows that its flexible architecture for incorporating knowledge is effective in mitigating the probabilistic limitations of LLMs and has potential in tackling complex, real-world problems that require reliability and precision.

Thao Nguyen, Kuan-Hao Huang, Ge Liu et al.

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 idea behind FARM is the incorporation of functional group (FG) annotations at the atomic level, enabling both FG-enhanced SMILES and FG graphs. In this representation, SMILES strings are enriched with functional group information that identifies the group membership of each atom, while the FG graph captures molecular structure by representing how functional groups are connected. This tokenization injects chemical knowledge into SMILES and expands the effective molecular vocabulary, making the representation more suitable for Transformer-based models and more aligned with natural language structure. FARM learns molecular representations from two complementary perspectives to jointly encode functional and structural information. Masked language modeling on FG-enhanced SMILES captures atom-level features enriched with functional context, while graph neural networks model higher-level molecular topology through functional group connectivity. Contrastive learning is then used to align these two views into a unified embedding space, ensuring that both atom-level detail and functional group structure are jointly represented. We evaluate FARM on the MoleculeNet benchmark and achieve state-of-the-art performance on 8 out of 13 tasks. We further validate its generalization ability on a photostability dataset for quantum mechanical properties. These results demonstrate that FARM improves molecular representation learning, supports strong transfer learning across drug discovery and materials science, and enables broad applications in pharmaceutical research and functional material design.

Thao Nguyen, Hieu H. Pham, Huy Khiem Le et al.

The COVID-19 pandemic has exposed the vulnerability of healthcare services worldwide, raising the need to develop novel tools to provide rapid and cost-effective screening and diagnosis. Clinical reports indicated that COVID-19 infection may cause cardiac injury, and electrocardiograms (ECG) may serve as a diagnostic biomarker for COVID-19. This study aims to utilize ECG signals to detect COVID-19 automatically. We propose a novel method to extract ECG signals from ECG paper records, which are then fed into a one-dimensional convolution neural network (1D-CNN) to learn and diagnose the disease. To evaluate the quality of digitized signals, R peaks in the paper-based ECG images are labeled. Afterward, RR intervals calculated from each image are compared to RR intervals of the corresponding digitized signal. Experiments on the COVID-19 ECG images dataset demonstrate that the proposed digitization method is able to capture correctly the original signals, with a mean absolute error of 28.11 ms. Our proposed 1D-CNN model, which is trained on the digitized ECG signals, allows identifying individuals with COVID-19 and other subjects accurately, with classification accuracies of 98.42%, 95.63%, and 98.50% for classifying COVID-19 vs. Normal, COVID-19 vs. Abnormal Heartbeats, and COVID-19 vs. other classes, respectively. Furthermore, the proposed method also achieves a high-level of performance for the multi-classification task. Our findings indicate that a deep learning system trained on digitized ECG signals can serve as a potential tool for diagnosing COVID-19.

Anh-Tu Nguyen, Thao Nguyen, Huy-Khiem Le et al.

Sleep apnea (SA) is a type of sleep disorder characterized by snoring and chronic sleeplessness, which can lead to serious conditions such as high blood pressure, heart failure, and cardiomyopathy (enlargement of the muscle tissue of the heart). The electrocardiogram (ECG) plays a critical role in identifying SA since it might reveal abnormal cardiac activity. Recent research on ECG-based SA detection has focused on feature engineering techniques that extract specific characteristics from multiple-lead ECG signals and use them as classification model inputs. In this study, a novel method of feature extraction based on the detection of S peaks is proposed to enhance the detection of adjacent SA segments using a single-lead ECG. In particular, ECG features collected from a single lead (V2) are used to identify SA episodes. On the extracted features, a CNN model is trained to detect SA. Experimental results demonstrate that the proposed method detects SA from single-lead ECG data is more accurate than existing state-of-the-art methods, with 91.13% classification accuracy, 92.58% sensitivity, and 88.75% specificity. Moreover, the further usage of features associated with the S peaks enhances the classification accuracy by 0.85%. Our findings indicate that the proposed machine learning system has the potential to be an effective method for detecting SA episodes.

Thao Nguyen, Jeffrey Li, Sewoong Oh et al.

We propose a new method, instruction back-and-forth translation, to construct high-quality synthetic data grounded in world knowledge for aligning large language models (LLMs). Given documents from a web corpus, we generate and curate synthetic instructions using the backtranslation approach proposed by Li et al.(2023a), and rewrite the responses to improve their quality further based on the initial documents. Fine-tuning with the resulting (backtranslated instruction, rewritten response) pairs yields higher win rates on AlpacaEval than using other common instruction datasets such as Humpback, ShareGPT, Open Orca, Alpaca-GPT4 and Self-instruct. We also demonstrate that rewriting the responses with an LLM outperforms direct distillation, and the two generated text distributions exhibit significant distinction in embedding space. Further analysis shows that our backtranslated instructions are of higher quality than other sources of synthetic instructions, while our responses are more diverse and complex than those obtained from distillation. Overall we find that instruction back-and-forth translation combines the best of both worlds -- making use of the information diversity and quantity found on the web, while ensuring the quality of the responses which is necessary for effective alignment.

Swagat Padhan, Lakshya Jain, Bhavya Minesh Shah et al.

Robots collaborating with humans must convert natural language goals into actionable, physically grounded decisions. For example, executing a command such as "go two meters to the right of the fridge" requires grounding semantic references, spatial relations, and metric constraints within a 3D scene. While recent vision language models (VLMs) demonstrate strong semantic grounding capabilities, they are not explicitly designed to reason about metric constraints in physically defined spaces. In this work, we empirically demonstrate that state-of-the-art VLM-based grounding approaches struggle with complex metric-semantic language queries. To address this limitation, we propose MAPG (Multi-Agent Probabilistic Grounding), an agentic framework that decomposes language queries into structured subcomponents and queries a VLM to ground each component. MAPG then probabilistically composes these grounded outputs to produce metrically consistent, actionable decisions in 3D space. We evaluate MAPG on the HM-EQA benchmark and show consistent performance improvements over strong baselines. Furthermore, we introduce a new benchmark, MAPG-Bench, specifically designed to evaluate metric-semantic goal grounding, addressing a gap in existing language grounding evaluations. We also present a real-world robot demonstration showing that MAPG transfers beyond simulation when a structured scene representation is available.

Thao Nguyen, Yang Li, Olga Golovneva et al.

Scaling laws predict that the performance of large language models improves with increasing model size and data size. In practice, pre-training has been relying on massive web crawls, using almost all data sources publicly available on the internet so far. However, this pool of natural data does not grow at the same rate as the compute supply. Furthermore, the availability of high-quality texts is even more limited: data filtering pipelines often remove up to 99% of the initial web scrapes to achieve state-of-the-art. To address the "data wall" of pre-training scaling, our work explores ways to transform and recycle data discarded in existing filtering processes. We propose REWIRE, REcycling the Web with guIded REwrite, a method to enrich low-quality documents so that they could become useful for training. This in turn allows us to increase the representation of synthetic data in the final pre-training set. Experiments at 1B, 3B and 7B scales of the DCLM benchmark show that mixing high-quality raw texts and our rewritten texts lead to 1.0, 1.3 and 2.5 percentage points improvement respectively across 22 diverse tasks, compared to training on only filtered web data. Training on the raw-synthetic data mix is also more effective than having access to 2x web data. Through further analysis, we demonstrate that about 82% of the mixed in texts come from transforming lower-quality documents that would otherwise be discarded. REWIRE also outperforms related approaches of generating synthetic data, including Wikipedia-style paraphrasing, question-answer synthesizing and knowledge extraction. These results suggest that recycling web texts holds the potential for being a simple and effective approach for scaling pre-training data. We make our high-quality synthetic data publicly available at https://huggingface.co/datasets/facebook/recycling_the_web.

Thao Nguyen, Simon Kornblith

Neural network representations contain structure beyond what was present in the training labels. For instance, representations of images that are visually or semantically similar tend to lie closer to each other than to dissimilar images, regardless of their labels. Clustering these representations can thus provide insights into dataset properties as well as the network internals. In this work, we study how the many design choices involved in neural network training affect the clusters formed in the hidden representations. To do so, we establish an evaluation setup based on the BREEDS hierarchy, for the task of subclass clustering after training models with only superclass information. We isolate the training dataset and architecture as important factors affecting clusterability. Datasets with labeled classes consisting of unrelated subclasses yield much better clusterability than those following a natural hierarchy. When using pretrained models to cluster representations on downstream datasets, models pretrained on subclass labels provide better clusterability than models pretrained on superclass labels, but only when there is a high degree of domain overlap between the pretraining and downstream data. Architecturally, we find that normalization strategies affect which layers yield the best clustering performance, and, surprisingly, Vision Transformers attain lower subclass clusterability than ResNets.

Sicheng Mo, Thao Nguyen, Richard Zhang et al.

In this work, we explore an untapped signal in diffusion model inference. While all previous methods generate images independently at inference, we instead ask if samples can be generated collaboratively. We propose Group Diffusion, unlocking the attention mechanism to be shared across images, rather than limited to just the patches within an image. This enables images to be jointly denoised at inference time, learning both intra and inter-image correspondence. We observe a clear scaling effect - larger group sizes yield stronger cross-sample attention and better generation quality. Furthermore, we introduce a qualitative measure to capture this behavior and show that its strength closely correlates with FID. Built on standard diffusion transformers, our GroupDiff achieves up to 32.2% FID improvement on ImageNet-256x256. Our work reveals cross-sample inference as an effective, previously unexplored mechanism for generative modeling.

Adhiraj Ghosh, Vishaal Udandarao, Thao Nguyen et al.

What data should a vision-language model be trained on? To answer this question, many data curation efforts center on the quality of a dataset. However, most of these existing methods are (i) offline, i.e. they produce a static dataset from a set of predetermined filtering criteria, and (ii) concept-agnostic, i.e. they use model-based filters which induce additional data biases. In this work, we go beyond such offline, concept-agnostic methods and advocate for more flexible, task-adaptive online concept-based curation. Our first contribution is DataConcept, a collection of 128M web-crawled image-text pairs annotated with fine-grained details about their concept composition. Building on DataConcept, we introduce Concept-Aware Batch Sampling (CABS), a simple yet effective batch sampling framework that flexibly constructs batches on-the-fly based on specific target distributions. We propose two variants: (i) Diversity Maximization (CABS-DM) to curate batches with a broad coverage of available concepts, and (ii) Frequency Maximization (CABS-FM) to curate batches with high object multiplicity. Through extensive evaluations across 28 benchmarks, we demonstrate that our CABS method significantly benefits CLIP/SigLIP model classes and yields highly performant models. Overall, CABS represents a strong open-source alternative to proprietary online data curation algorithms, enabling practitioners to define custom concept distributions that optimize for specific downstream tasks.

Thao Nguyen, Sicheng Mo, Krishna Kumar Singh et al.

Humans do not just see attribute similarity -- we also see relational similarity. An apple is like a peach because both are reddish fruit, but the Earth is also like a peach: its crust, mantle, and core correspond to the peach's skin, flesh, and pit. This ability to perceive and recognize relational similarity, is arguable by cognitive scientist to be what distinguishes humans from other species. Yet, all widely used visual similarity metrics today (e.g., LPIPS, CLIP, DINO) focus solely on perceptual attribute similarity and fail to capture the rich, often surprising relational similarities that humans perceive. How can we go beyond the visible content of an image to capture its relational properties? How can we bring images with the same relational logic closer together in representation space? To answer these questions, we first formulate relational image similarity as a measurable problem: two images are relationally similar when their internal relations or functions among visual elements correspond, even if their visual attributes differ. We then curate 114k image-caption dataset in which the captions are anonymized -- describing the underlying relational logic of the scene rather than its surface content. Using this dataset, we finetune a Vision-Language model to measure the relational similarity between images. This model serves as the first step toward connecting images by their underlying relational structure rather than their visible appearance. Our study shows that while relational similarity has a lot of real-world applications, existing image similarity models fail to capture it -- revealing a critical gap in visual computing.

Thao Nguyen, Anh Tran, Minh Hoai

Makeup transfer is the task of applying on a source face the makeup style from a reference image. Real-life makeups are diverse and wild, which cover not only color-changing but also patterns, such as stickers, blushes, and jewelries. However, existing works overlooked the latter components and confined makeup transfer to color manipulation, focusing only on light makeup styles. In this work, we propose a holistic makeup transfer framework that can handle all the mentioned makeup components. It consists of an improved color transfer branch and a novel pattern transfer branch to learn all makeup properties, including color, shape, texture, and location. To train and evaluate such a system, we also introduce new makeup datasets for real and synthetic extreme makeup. Experimental results show that our framework achieves the state of the art performance on both light and extreme makeup styles. Code is available at https://github.com/VinAIResearch/CPM.

Ashmal Vayani, Dinura Dissanayake, Hasindri Watawana et al. · mila

Existing Large Multimodal Models (LMMs) generally focus on only a few regions and languages. As LMMs continue to improve, it is increasingly important to ensure they understand cultural contexts, respect local sensitivities, and support low-resource languages, all while effectively integrating corresponding visual cues. In pursuit of culturally diverse global multimodal models, our proposed All Languages Matter Benchmark (ALM-bench) represents the largest and most comprehensive effort to date for evaluating LMMs across 100 languages. ALM-bench challenges existing models by testing their ability to understand and reason about culturally diverse images paired with text in various languages, including many low-resource languages traditionally underrepresented in LMM research. The benchmark offers a robust and nuanced evaluation framework featuring various question formats, including true/false, multiple choice, and open-ended questions, which are further divided into short and long-answer categories. ALM-bench design ensures a comprehensive assessment of a model's ability to handle varied levels of difficulty in visual and linguistic reasoning. To capture the rich tapestry of global cultures, ALM-bench carefully curates content from 13 distinct cultural aspects, ranging from traditions and rituals to famous personalities and celebrations. Through this, ALM-bench not only provides a rigorous testing ground for state-of-the-art open and closed-source LMMs but also highlights the importance of cultural and linguistic inclusivity, encouraging the development of models that can serve diverse global populations effectively. Our benchmark is publicly available.

Yang Li, Youssef Emad, Karthik Padthe et al. · meta-ai

Recent work has shown that distilling reasoning traces from a larger teacher model via supervised finetuning outperforms reinforcement learning with the smaller student model alone (Guo et al. 2025). However, there has not been a systematic study of what kind of reasoning demonstrations from the teacher are most effective in improving the student model's reasoning capabilities. In this work we curate high-quality "NaturalThoughts" by selecting reasoning traces from a strong teacher model based on a large pool of questions from NaturalReasoning (Yuan et al. 2025). We first conduct a systematic analysis of factors that affect distilling reasoning capabilities, in terms of sample efficiency and scalability for general reasoning tasks. We observe that simply scaling up data size with random sampling is a strong baseline with steady performance gains. Further, we find that selecting difficult examples that require more diverse reasoning strategies is more sample-efficient to transfer the teacher model's reasoning skills. Evaluated on both Llama and Qwen models, training with NaturalThoughts outperforms existing reasoning datasets such as OpenThoughts, LIMO, etc. on general STEM reasoning benchmarks including GPQA-Diamond, MMLU-Pro and SuperGPQA.

Thao Nguyen, Krishna Kumar Singh, Jing Shi et al.

Large Multimodal Models (e.g., GPT-4, Gemini, Chameleon) have evolved into powerful tools with millions of users. However, they remain generic models and lack personalized knowledge of specific user concepts. Previous work has explored personalization for text generation, yet it remains unclear how these methods can be adapted to new modalities, such as image generation. In this paper, we introduce Yo'Chameleon, the first attempt to study personalization for large multimodal models. Given 3-5 images of a particular concept, Yo'Chameleon leverages soft-prompt tuning to embed subject-specific information to (i) answer questions about the subject and (ii) recreate pixel-level details to produce images of the subject in new contexts. Yo'Chameleon is trained with (i) a self-prompting optimization mechanism to balance performance across multiple modalities, and (ii) a ``soft-positive" image generation approach to enhance image quality in a few-shot setting.

Ziwen Wang, Jiajun Fan, Ruihan Guo et al.

Protein generative models have shown remarkable promise in protein design but still face limitations in success rate, due to the scarcity of high-quality protein datasets for supervised pretraining. We present ProteinZero, a novel framework that enables scalable, automated, and continuous self-improvement of the inverse folding model through online reinforcement learning. To achieve computationally tractable online feedback, we introduce efficient proxy reward models based on ESM-fold and a novel rapid ddG predictor that significantly accelerates evaluation speed. ProteinZero employs a general RL framework balancing multi-reward maximization, KL-divergence from a reference model, and a novel protein-embedding level diversity regularization that prevents mode collapse while promoting higher sequence diversity. Through extensive experiments, we demonstrate that ProteinZero substantially outperforms existing methods across every key metric in protein design, achieving significant improvements in structural accuracy, designability, thermodynamic stability, and sequence diversity. Most impressively, ProteinZero reduces design failure rates by approximately 36% - 48% compared to widely-used methods like ProteinMPNN, ESM-IF and InstructPLM, consistently achieving success rates exceeding 90% across diverse and complex protein folds. Notably, the entire RL run on CATH-4.3 can be done with a single 8 X GPU node in under 3 days, including reward computation. Our work establishes a new paradigm for protein design where models evolve continuously from their own generated outputs, opening new possibilities for exploring the vast protein design space.

Sicheng Mo, Thao Nguyen, Xun Huang et al.

We propose X-Fusion, a framework that extends pretrained Large Language Models (LLMs) for multimodal tasks while preserving their language capabilities. X-Fusion employs a dual-tower design with modality-specific weights, keeping the LLM's parameters frozen while integrating vision-specific information for both understanding and generation. Our experiments demonstrate that X-Fusion consistently outperforms alternative architectures on both image-to-text and text-to-image tasks. We find that incorporating understanding-focused data improves generation quality, reducing image data noise enhances overall performance, and feature alignment accelerates convergence for smaller models but has minimal impact on larger ones. Our findings provide valuable insights into building efficient unified multimodal models.

Ziwen Wang, Jiajun Fan, Thao Nguyen et al.

Contrastive learning has proven to be highly efficient and adaptable in shaping representation spaces across diverse modalities by pulling similar samples together and pushing dissimilar ones apart. However, two key limitations persist: (1) Without explicit regulation of the embedding distribution, semantically related instances can inadvertently be pushed apart unless complementary signals guide pair selection, and (2) excessive reliance on large in-batch negatives and tailored augmentations hinders generalization. To address these limitations, we propose Variational Supervised Contrastive Learning (VarCon), which reformulates supervised contrastive learning as variational inference over latent class variables and maximizes a posterior-weighted evidence lower bound (ELBO) that replaces exhaustive pair-wise comparisons for efficient class-aware matching and grants fine-grained control over intra-class dispersion in the embedding space. Trained exclusively on image data, our experiments on CIFAR-10, CIFAR-100, ImageNet-100, and ImageNet-1K show that VarCon (1) achieves state-of-the-art performance for contrastive learning frameworks, reaching 79.36% Top-1 accuracy on ImageNet-1K and 78.29% on CIFAR-100 with a ResNet-50 encoder while converging in just 200 epochs; (2) yields substantially clearer decision boundaries and semantic organization in the embedding space, as evidenced by KNN classification, hierarchical clustering results, and transfer-learning assessments; and (3) demonstrates superior performance in few-shot learning than supervised baseline and superior robustness across various augmentation strategies.

Carl Edwards, Chi Han, Gawon Lee et al.

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. mCLM, with only 3B parameters, achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials ("fallen angels").

Thao Nguyen, Tiara Torres-Flores, Changhyun Hwang et al.

This paper presents a novel approach for predicting Power Conversion Efficiency (PCE) of Organic Photovoltaic (OPV) devices, called GLaD: synergizing molecular Graphs and Language Descriptors for enhanced PCE prediction. Due to the lack of high-quality experimental data, we collect a dataset consisting of 500 pairs of OPV donor and acceptor molecules along with their corresponding PCE values, which we utilize as the training data for our predictive model. In this low-data regime, GLaD leverages properties learned from large language models (LLMs) pretrained on extensive scientific literature to enrich molecular structural representations, allowing for a multimodal representation of molecules. GLaD achieves precise predictions of PCE, thereby facilitating the synthesis of new OPV molecules with improved efficiency. Furthermore, GLaD showcases versatility, as it applies to a range of molecular property prediction tasks (BBBP, BACE, ClinTox, and SIDER), not limited to those concerning OPV materials. Especially, GLaD proves valuable for tasks in low-data regimes within the chemical space, as it enriches molecular representations by incorporating molecular property descriptions learned from large-scale pretraining. This capability is significant in real-world scientific endeavors like drug and material discovery, where access to comprehensive data is crucial for informed decision-making and efficient exploration of the chemical space.

Thao Nguyen, Jiaqi Ma, Fahad Shahbaz Khan et al.

Precipitation nowcasting, predicting future radar echo sequences from current observations, is a critical yet challenging task due to the inherently chaotic and tightly coupled spatio-temporal dynamics of the atmosphere. While recent advances in diffusion-based models attempt to capture both large-scale motion and fine-grained stochastic variability, they often suffer from scalability issues: latent-space approaches require a separately trained autoencoder, adding complexity and limiting generalization, while pixel-space approaches are computationally intensive and often omit attention mechanisms, reducing their ability to model long-range spatio-temporal dependencies. To address these limitations, we propose a Token-wise Attention integrated into not only the U-Net diffusion model but also the spatio-temporal encoder that dynamically captures multi-scale spatial interactions and temporal evolution. Unlike prior approaches, our method natively integrates attention into the architecture without incurring the high resource cost typical of pixel-space diffusion, thereby eliminating the need for separate latent modules. Our extensive experiments and visual evaluations across diverse datasets demonstrate that the proposed method significantly outperforms state-of-the-art approaches, yielding superior local fidelity, generalization, and robustness in complex precipitation forecasting scenarios.

Jeffrey Li, Alex Fang, Georgios Smyrnis et al.

We introduce DataComp for Language Models (DCLM), a testbed for controlled dataset experiments with the goal of improving language models. As part of DCLM, we provide a standardized corpus of 240T tokens extracted from Common Crawl, effective pretraining recipes based on the OpenLM framework, and a broad suite of 53 downstream evaluations. Participants in the DCLM benchmark can experiment with data curation strategies such as deduplication, filtering, and data mixing at model scales ranging from 412M to 7B parameters. As a baseline for DCLM, we conduct extensive experiments and find that model-based filtering is key to assembling a high-quality training set. The resulting dataset, DCLM-Baseline enables training a 7B parameter language model from scratch to 64% 5-shot accuracy on MMLU with 2.6T training tokens. Compared to MAP-Neo, the previous state-of-the-art in open-data language models, DCLM-Baseline represents a 6.6 percentage point improvement on MMLU while being trained with 40% less compute. Our baseline model is also comparable to Mistral-7B-v0.3 and Llama 3 8B on MMLU (63% & 66%), and performs similarly on an average of 53 natural language understanding tasks while being trained with 6.6x less compute than Llama 3 8B. Our results highlight the importance of dataset design for training language models and offer a starting point for further research on data curation.

Thao Nguyen, Haotian Liu, Yuheng Li et al.

Large Multimodal Models (LMMs) have shown remarkable capabilities across a variety of tasks (e.g., image captioning, visual question answering). While broad, their knowledge remains generic (e.g., recognizing a dog), and they are unable to handle personalized subjects (e.g., recognizing a user's pet dog). Human reasoning, in contrast, typically operates within the context of specific subjects in our surroundings. For example, one might ask, "What should I buy for my dog's birthday?"; as opposed to a generic inquiry about "What should I buy for a dog's birthday?". Similarly, when looking at a friend's image, the interest lies in seeing their activities (e.g., "my friend is holding a cat"), rather than merely observing generic human actions (e.g., "a man is holding a cat"). In this paper, we introduce the novel task of personalizing LMMs, so that they can have conversations about a specific subject. We propose Yo'LLaVA, which learns to embed a personalized subject into a set of latent tokens given a handful of example images of the subject. Our qualitative and quantitative analyses reveal that Yo'LLaVA can learn the concept more efficiently using fewer tokens and more effectively encode the visual attributes compared to strong prompting baselines (e.g., LLaVA).

Thao Nguyen, Utkarsh Ojha, Yuheng Li et al.

In recent years, image editing has advanced remarkably. With increased human control, it is now possible to edit an image in a plethora of ways; from specifying in text what we want to change, to straight up dragging the contents of the image in an interactive point-based manner. However, most of the focus has remained on editing single images at a time. Whether and how we can simultaneously edit large batches of images has remained understudied. With the goal of minimizing human supervision in the editing process, this paper presents a novel method for interactive batch image editing using StyleGAN as the medium. Given an edit specified by users in an example image (e.g., make the face frontal), our method can automatically transfer that edit to other test images, so that regardless of their initial state (pose), they all arrive at the same final state (e.g., all facing front). Extensive experiments demonstrate that edits performed using our method have similar visual quality to existing single-image-editing methods, while having more visual consistency and saving significant time and human effort.

Thao Nguyen, Maithra Raghu, Simon Kornblith

Recent work has uncovered a striking phenomenon in large-capacity neural networks: they contain blocks of contiguous hidden layers with highly similar representations. This block structure has two seemingly contradictory properties: on the one hand, its constituent layers exhibit highly similar dominant first principal components (PCs), but on the other hand, their representations, and their common first PC, are highly dissimilar across different random seeds. Our work seeks to reconcile these discrepant properties by investigating the origin of the block structure in relation to the data and training methods. By analyzing properties of the dominant PCs, we find that the block structure arises from dominant datapoints - a small group of examples that share similar image statistics (e.g. background color). However, the set of dominant datapoints, and the precise shared image statistic, can vary across random seeds. Thus, the block structure reflects meaningful dataset statistics, but is simultaneously unique to each model. Through studying hidden layer activations and creating synthetic datapoints, we demonstrate that these simple image statistics dominate the representational geometry of the layers inside the block structure. We explore how the phenomenon evolves through training, finding that the block structure takes shape early in training, but the underlying representations and the corresponding dominant datapoints continue to change substantially. Finally, we study the interplay between the block structure and different training mechanisms, introducing a targeted intervention to eliminate the block structure, as well as examining the effects of pretraining and Shake-Shake regularization.

Phong Tran, Anh Tran, Thao Nguyen et al.

The objective of this work is to deblur face videos. We propose a method that tackles this problem from two directions: (1) enhancing the blurry frames, and (2) treating the blurry frames as missing values and estimate them by interpolation. These approaches are complementary to each other, and their combination outperforms individual ones. We also introduce a novel module that leverages the structure of faces for finding positional offsets between video frames. This module can be integrated into the processing pipelines of both approaches, improving the quality of the final outcome. Experiments on three real and synthetically generated blurry video datasets show that our method outperforms the previous state-of-the-art methods by a large margin in terms of both quantitative and qualitative results.

Badih Ghazi, Ravi Kumar, Pasin Manurangsi et al.

In this work, we study the trade-off between differential privacy and adversarial robustness under L2-perturbations in the context of learning halfspaces. We prove nearly tight bounds on the sample complexity of robust private learning of halfspaces for a large regime of parameters. A highlight of our results is that robust and private learning is harder than robust or private learning alone. We complement our theoretical analysis with experimental results on the MNIST and USPS datasets, for a learning algorithm that is both differentially private and adversarially robust.

Thao Nguyen, Maithra Raghu, Simon Kornblith

A key factor in the success of deep neural networks is the ability to scale models to improve performance by varying the architecture depth and width. This simple property of neural network design has resulted in highly effective architectures for a variety of tasks. Nevertheless, there is limited understanding of effects of depth and width on the learned representations. In this paper, we study this fundamental question. We begin by investigating how varying depth and width affects model hidden representations, finding a characteristic block structure in the hidden representations of larger capacity (wider or deeper) models. We demonstrate that this block structure arises when model capacity is large relative to the size of the training set, and is indicative of the underlying layers preserving and propagating the dominant principal component of their representations. This discovery has important ramifications for features learned by different models, namely, representations outside the block structure are often similar across architectures with varying widths and depths, but the block structure is unique to each model. We analyze the output predictions of different model architectures, finding that even when the overall accuracy is similar, wide and deep models exhibit distinctive error patterns and variations across classes.

Pang Wei Koh, Thao Nguyen, Yew Siang Tang et al.

We seek to learn models that we can interact with using high-level concepts: if the model did not think there was a bone spur in the x-ray, would it still predict severe arthritis? State-of-the-art models today do not typically support the manipulation of concepts like "the existence of bone spurs", as they are trained end-to-end to go directly from raw input (e.g., pixels) to output (e.g., arthritis severity). We revisit the classic idea of first predicting concepts that are provided at training time, and then using these concepts to predict the label. By construction, we can intervene on these concept bottleneck models by editing their predicted concept values and propagating these changes to the final prediction. On x-ray grading and bird identification, concept bottleneck models achieve competitive accuracy with standard end-to-end models, while enabling interpretation in terms of high-level clinical concepts ("bone spurs") or bird attributes ("wing color"). These models also allow for richer human-model interaction: accuracy improves significantly if we can correct model mistakes on concepts at test time.

Thao Nguyen, Nakul Gopalan, Roma Patel et al.

Natural language object retrieval is a highly useful yet challenging task for robots in human-centric environments. Previous work has primarily focused on commands specifying the desired object's type such as "scissors" and/or visual attributes such as "red," thus limiting the robot to only known object classes. We develop a model to retrieve objects based on descriptions of their usage. The model takes in a language command containing a verb, for example "Hand me something to cut," and RGB images of candidate objects and selects the object that best satisfies the task specified by the verb. Our model directly predicts an object's appearance from the object's use specified by a verb phrase. We do not need to explicitly specify an object's class label. Our approach allows us to predict high level concepts like an object's utility based on the language query. Based on contextual information present in the language commands, our model can generalize to unseen object classes and unknown nouns in the commands. Our model correctly selects objects out of sets of five candidates to fulfill natural language commands, and achieves an average accuracy of 62.3% on a held-out test set of unseen ImageNet object classes and 53.0% on unseen object classes and unknown nouns. Our model also achieves an average accuracy of 54.7% on unseen YCB object classes, which have a different image distribution from ImageNet objects. We demonstrate our model on a KUKA LBR iiwa robot arm, enabling the robot to retrieve objects based on natural language descriptions of their usage. We also present a new dataset of 655 verb-object pairs denoting object usage over 50 verbs and 216 object classes.

Thuat Do, Thao Nguyen, Hung Pham

Consensus mechanism is the heart of any blockchain network. Many projects have proposed alternative protocols to improve restricted scalability of Proof of Work originated since Bitcoin. As an improvement of Delegated Proof of Stake, in this paper, we introduce a novel consensus, namely, Delegated Proof of Reputation, which is scalable, secure with an acceptable decentralization. Our innovative idea is replacing pure coinstaking by a reputation ranking system essentially based on ranking theories (PageRank, NCDawareRank and HodgeRank).

Vanya Cohen, Benjamin Burchfiel, Thao Nguyen et al.

We develop a system to disambiguate object instances within the same class based on simple physical descriptions. The system takes as input a natural language phrase and a depth image containing a segmented object and predicts how similar the observed object is to the object described by the phrase. Our system is designed to learn from only a small amount of human-labeled language data and generalize to viewpoints not represented in the language-annotated depth image training set. By decoupling 3D shape representation from language representation, this method is able to ground language to novel objects using a small amount of language-annotated depth-data and a larger corpus of unlabeled 3D object meshes, even when these objects are partially observed from unusual viewpoints. Our system is able to disambiguate between novel objects, observed via depth images, based on natural language descriptions. Our method also enables view-point transfer; trained on human-annotated data on a small set of depth images captured from frontal viewpoints, our system successfully predicted object attributes from rear views despite having no such depth images in its training set. Finally, we demonstrate our approach on a Baxter robot, enabling it to pick specific objects based on human-provided natural language descriptions.

Yoonseon Oh, Roma Patel, Thao Nguyen et al.

Often times, we specify tasks for a robot using temporal language that can also span different levels of abstraction. The example command ``go to the kitchen before going to the second floor'' contains spatial abstraction, given that ``floor'' consists of individual rooms that can also be referred to in isolation ("kitchen", for example). There is also a temporal ordering of events, defined by the word "before". Previous works have used Linear Temporal Logic (LTL) to interpret temporal language (such as "before"), and Abstract Markov Decision Processes (AMDPs) to interpret hierarchical abstractions (such as "kitchen" and "second floor"), separately. To handle both types of commands at once, we introduce the Abstract Product Markov Decision Process (AP-MDP), a novel approach capable of representing non-Markovian reward functions at different levels of abstractions. The AP-MDP framework translates LTL into its corresponding automata, creates a product Markov Decision Process (MDP) of the LTL specification and the environment MDP, and decomposes the problem into subproblems to enable efficient planning with abstractions. AP-MDP performs faster than a non-hierarchical method of solving LTL problems in over 95% of tasks, and this number only increases as the size of the environment domain increases. We also present a neural sequence-to-sequence model trained to translate language commands into LTL expression, and a new corpus of non-Markovian language commands spanning different levels of abstraction. We test our framework with the collected language commands on a drone, demonstrating that our approach enables a robot to efficiently solve temporal commands at different levels of abstraction.

Anand Avati, Stephen Pfohl, Chris Lin et al.

Identifying patients who will be discharged within 24 hours can improve hospital resource management and quality of care. We studied this problem using eight years of Electronic Health Records (EHR) data from Stanford Hospital. We fit models to predict 24 hour discharge across the entire inpatient population. The best performing models achieved an area under the receiver-operator characteristic curve (AUROC) of 0.85 and an AUPRC of 0.53 on a held out test set. This model was also well calibrated. Finally, we analyzed the utility of this model in a decision theoretic framework to identify regions of ROC space in which using the model increases expected utility compared to the trivial always negative or always positive classifiers.

Edward Chou, Thao Nguyen, Josh Beal et al.

We introduce an end-to-end private deep learning framework, applied to the task of predicting 30-day readmission from electronic health records. By using differential privacy during training and homomorphic encryption during inference, we demonstrate that our proposed pipeline could maintain high performance while providing robust privacy guarantees against information leak from data transmission or attacks against the model. We also explore several techniques to address the privacy-utility trade-off in deploying neural networks with privacy mechanisms, improving the accuracy of differentially-private training and the computation cost of encrypted operations using ideas from both machine learning and cryptography.