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Jan 8

Predictive auxiliary objectives in deep RL mimic learning in the brain

The ability to predict upcoming events has been hypothesized to comprise a key aspect of natural and machine cognition. This is supported by trends in deep reinforcement learning (RL), where self-supervised auxiliary objectives such as prediction are widely used to support representation learning and improve task performance. Here, we study the effects predictive auxiliary objectives have on representation learning across different modules of an RL system and how these mimic representational changes observed in the brain. We find that predictive objectives improve and stabilize learning particularly in resource-limited architectures, and we identify settings where longer predictive horizons better support representational transfer. Furthermore, we find that representational changes in this RL system bear a striking resemblance to changes in neural activity observed in the brain across various experiments. Specifically, we draw a connection between the auxiliary predictive model of the RL system and hippocampus, an area thought to learn a predictive model to support memory-guided behavior. We also connect the encoder network and the value learning network of the RL system to visual cortex and striatum in the brain, respectively. This work demonstrates how representation learning in deep RL systems can provide an interpretable framework for modeling multi-region interactions in the brain. The deep RL perspective taken here also suggests an additional role of the hippocampus in the brain -- that of an auxiliary learning system that benefits representation learning in other regions.

  • 2 authors
·
Oct 9, 2023

Region-Aware Text-to-Image Generation via Hard Binding and Soft Refinement

In this paper, we present RAG, a Regional-Aware text-to-image Generation method conditioned on regional descriptions for precise layout composition. Regional prompting, or compositional generation, which enables fine-grained spatial control, has gained increasing attention for its practicality in real-world applications. However, previous methods either introduce additional trainable modules, thus only applicable to specific models, or manipulate on score maps within cross-attention layers using attention masks, resulting in limited control strength when the number of regions increases. To handle these limitations, we decouple the multi-region generation into two sub-tasks, the construction of individual region (Regional Hard Binding) that ensures the regional prompt is properly executed, and the overall detail refinement (Regional Soft Refinement) over regions that dismiss the visual boundaries and enhance adjacent interactions. Furthermore, RAG novelly makes repainting feasible, where users can modify specific unsatisfied regions in the last generation while keeping all other regions unchanged, without relying on additional inpainting models. Our approach is tuning-free and applicable to other frameworks as an enhancement to the prompt following property. Quantitative and qualitative experiments demonstrate that RAG achieves superior performance over attribute binding and object relationship than previous tuning-free methods.

  • 9 authors
·
Nov 10, 2024 6

ART: Anonymous Region Transformer for Variable Multi-Layer Transparent Image Generation

Multi-layer image generation is a fundamental task that enables users to isolate, select, and edit specific image layers, thereby revolutionizing interactions with generative models. In this paper, we introduce the Anonymous Region Transformer (ART), which facilitates the direct generation of variable multi-layer transparent images based on a global text prompt and an anonymous region layout. Inspired by Schema theory suggests that knowledge is organized in frameworks (schemas) that enable people to interpret and learn from new information by linking it to prior knowledge.}, this anonymous region layout allows the generative model to autonomously determine which set of visual tokens should align with which text tokens, which is in contrast to the previously dominant semantic layout for the image generation task. In addition, the layer-wise region crop mechanism, which only selects the visual tokens belonging to each anonymous region, significantly reduces attention computation costs and enables the efficient generation of images with numerous distinct layers (e.g., 50+). When compared to the full attention approach, our method is over 12 times faster and exhibits fewer layer conflicts. Furthermore, we propose a high-quality multi-layer transparent image autoencoder that supports the direct encoding and decoding of the transparency of variable multi-layer images in a joint manner. By enabling precise control and scalable layer generation, ART establishes a new paradigm for interactive content creation.

  • 17 authors
·
Feb 25, 2025 4

HOComp: Interaction-Aware Human-Object Composition

While existing image-guided composition methods may help insert a foreground object onto a user-specified region of a background image, achieving natural blending inside the region with the rest of the image unchanged, we observe that these existing methods often struggle in synthesizing seamless interaction-aware compositions when the task involves human-object interactions. In this paper, we first propose HOComp, a novel approach for compositing a foreground object onto a human-centric background image, while ensuring harmonious interactions between the foreground object and the background person and their consistent appearances. Our approach includes two key designs: (1) MLLMs-driven Region-based Pose Guidance (MRPG), which utilizes MLLMs to identify the interaction region as well as the interaction type (e.g., holding and lefting) to provide coarse-to-fine constraints to the generated pose for the interaction while incorporating human pose landmarks to track action variations and enforcing fine-grained pose constraints; and (2) Detail-Consistent Appearance Preservation (DCAP), which unifies a shape-aware attention modulation mechanism, a multi-view appearance loss, and a background consistency loss to ensure consistent shapes/textures of the foreground and faithful reproduction of the background human. We then propose the first dataset, named Interaction-aware Human-Object Composition (IHOC), for the task. Experimental results on our dataset show that HOComp effectively generates harmonious human-object interactions with consistent appearances, and outperforms relevant methods qualitatively and quantitatively.

  • 4 authors
·
Jul 22, 2025 3

InterBERT: Vision-and-Language Interaction for Multi-modal Pretraining

Multi-modal pretraining for learning high-level multi-modal representation is a further step towards deep learning and artificial intelligence. In this work, we propose a novel model, namely InterBERT (BERT for Interaction), which is the first model of our series of multimodal pretraining methods M6 (MultiModality-to-MultiModality Multitask Mega-transformer). The model owns strong capability of modeling interaction between the information flows of different modalities. The single-stream interaction module is capable of effectively processing information of multiple modalilties, and the two-stream module on top preserves the independence of each modality to avoid performance downgrade in single-modal tasks. We pretrain the model with three pretraining tasks, including masked segment modeling (MSM), masked region modeling (MRM) and image-text matching (ITM); and finetune the model on a series of vision-and-language downstream tasks. Experimental results demonstrate that InterBERT outperforms a series of strong baselines, including the most recent multi-modal pretraining methods, and the analysis shows that MSM and MRM are effective for pretraining and our method can achieve performances comparable to BERT in single-modal tasks. Besides, we propose a large-scale dataset for multi-modal pretraining in Chinese, and we develop the Chinese InterBERT which is the first Chinese multi-modal pretrained model. We pretrain the Chinese InterBERT on our proposed dataset of 3.1M image-text pairs from the mobile Taobao, the largest Chinese e-commerce platform. We finetune the model for text-based image retrieval, and recently we deployed the model online for topic-based recommendation.

  • 6 authors
·
Mar 29, 2020

Serpent: Scalable and Efficient Image Restoration via Multi-scale Structured State Space Models

The landscape of computational building blocks of efficient image restoration architectures is dominated by a combination of convolutional processing and various attention mechanisms. However, convolutional filters, while efficient, are inherently local and therefore struggle with modeling long-range dependencies in images. In contrast, attention excels at capturing global interactions between arbitrary image regions, but suffers from a quadratic cost in image dimension. In this work, we propose Serpent, an efficient architecture for high-resolution image restoration that combines recent advances in state space models (SSMs) with multi-scale signal processing in its core computational block. SSMs, originally introduced for sequence modeling, can maintain a global receptive field with a favorable linear scaling in input size. We propose a novel hierarchical architecture inspired by traditional signal processing principles, that converts the input image into a collection of sequences and processes them in a multi-scale fashion. Our experimental results demonstrate that Serpent can achieve reconstruction quality on par with state-of-the-art techniques, while requiring orders of magnitude less compute (up to 150 fold reduction in FLOPS) and a factor of up to 5times less GPU memory while maintaining a compact model size. The efficiency gains achieved by Serpent are especially notable at high image resolutions.

  • 3 authors
·
Mar 26, 2024

Life-Code: Central Dogma Modeling with Multi-Omics Sequence Unification

The interactions between DNA, RNA, and proteins are fundamental to biological processes, as illustrated by the central dogma of molecular biology. Although modern biological pre-trained models have achieved great success in analyzing these macromolecules individually, their interconnected nature remains underexplored. This paper follows the guidance of the central dogma to redesign both the data and model pipeline and offers a comprehensive framework, Life-Code, that spans different biological functions. As for data flow, we propose a unified pipeline to integrate multi-omics data by reverse-transcribing RNA and reverse-translating amino acids into nucleotide-based sequences. As for the model, we design a codon tokenizer and a hybrid long-sequence architecture to encode the interactions between coding and non-coding regions through masked modeling pre-training. To model the translation and folding process with coding sequences, Life-Code learns protein structures of the corresponding amino acids by knowledge distillation from off-the-shelf protein language models. Such designs enable Life-Code to capture complex interactions within genetic sequences, providing a more comprehensive understanding of multi-omics with the central dogma. Extensive experiments show that Life-Code achieves state-of-the-art results on various tasks across three omics, highlighting its potential for advancing multi-omics analysis and interpretation.

  • 10 authors
·
Feb 11, 2025

Multimodal Learning Without Labeled Multimodal Data: Guarantees and Applications

In many machine learning systems that jointly learn from multiple modalities, a core research question is to understand the nature of multimodal interactions: the emergence of new task-relevant information during learning from both modalities that was not present in either alone. We study this challenge of interaction quantification in a semi-supervised setting with only labeled unimodal data and naturally co-occurring multimodal data (e.g., unlabeled images and captions, video and corresponding audio) but when labeling them is time-consuming. Using a precise information-theoretic definition of interactions, our key contributions are the derivations of lower and upper bounds to quantify the amount of multimodal interactions in this semi-supervised setting. We propose two lower bounds based on the amount of shared information between modalities and the disagreement between separately trained unimodal classifiers, and derive an upper bound through connections to approximate algorithms for min-entropy couplings. We validate these estimated bounds and show how they accurately track true interactions. Finally, two semi-supervised multimodal applications are explored based on these theoretical results: (1) analyzing the relationship between multimodal performance and estimated interactions, and (2) self-supervised learning that embraces disagreement between modalities beyond agreement as is typically done.

  • 9 authors
·
Jun 7, 2023

Exploring the cloud of feature interaction scores in a Rashomon set

Interactions among features are central to understanding the behavior of machine learning models. Recent research has made significant strides in detecting and quantifying feature interactions in single predictive models. However, we argue that the feature interactions extracted from a single pre-specified model may not be trustworthy since: a well-trained predictive model may not preserve the true feature interactions and there exist multiple well-performing predictive models that differ in feature interaction strengths. Thus, we recommend exploring feature interaction strengths in a model class of approximately equally accurate predictive models. In this work, we introduce the feature interaction score (FIS) in the context of a Rashomon set, representing a collection of models that achieve similar accuracy on a given task. We propose a general and practical algorithm to calculate the FIS in the model class. We demonstrate the properties of the FIS via synthetic data and draw connections to other areas of statistics. Additionally, we introduce a Halo plot for visualizing the feature interaction variance in high-dimensional space and a swarm plot for analyzing FIS in a Rashomon set. Experiments with recidivism prediction and image classification illustrate how feature interactions can vary dramatically in importance for similarly accurate predictive models. Our results suggest that the proposed FIS can provide valuable insights into the nature of feature interactions in machine learning models.

  • 4 authors
·
May 17, 2023

Grasp Any Region: Towards Precise, Contextual Pixel Understanding for Multimodal LLMs

While Multimodal Large Language Models (MLLMs) excel at holistic understanding, they struggle in capturing the dense world with complex scenes, requiring fine-grained analysis of intricate details and object inter-relationships. Region-level MLLMs have been a promising step. However, previous attempts are generally optimized to understand given regions in isolation, neglecting crucial global contexts. To address this, we introduce Grasp Any Region (GAR) for comprehen- sive region-level visual understanding. Empowered by an effective RoI-aligned feature replay technique, GAR supports (1) precise perception by leveraging necessary global contexts, and (2) modeling interactions between multiple prompts. Together, it then naturally achieves (3) advanced compositional reasoning to answer specific free-form questions about any region, shifting the paradigm from passive description to active dialogue. Moreover, we construct GAR-Bench, which not only provides a more accurate evaluation of single-region comprehension, but also, more importantly, measures interactions and complex reasoning across multiple regions. Extensive experiments have demonstrated that GAR-1B not only maintains the state-of-the-art captioning capabilities, e.g., outperforming DAM-3B +4.5 on DLC-Bench, but also excels at modeling relationships between multiple prompts with advanced comprehension capabilities, even surpassing InternVL3-78B on GAR-Bench-VQA. More importantly, our zero-shot GAR-8B even outperforms in-domain VideoRefer-7B on VideoRefer-BenchQ, indicating its strong capabilities can be easily transferred to videos.

ByteDance ByteDance
·
Oct 21, 2025 2

Learning multi-domain feature relation for visible and Long-wave Infrared image patch matching

Recently, learning-based algorithms have achieved promising performance on cross-spectral image patch matching, which, however, is still far from satisfactory for practical application. On the one hand, a lack of large-scale dataset with diverse scenes haunts its further improvement for learning-based algorithms, whose performances and generalization rely heavily on the dataset size and diversity. On the other hand, more emphasis has been put on feature relation in the spatial domain whereas the scale dependency between features has often been ignored, leading to performance degeneration especially when encountering significant appearance variations for cross-spectral patches. To address these issues, we publish, to be best of our knowledge, the largest visible and Long-wave Infrared (LWIR) image patch matching dataset, termed VL-CMIM, which contains 1300 pairs of strictly aligned visible and LWIR images and over 2 million patch pairs covering diverse scenes such as asteroid, field, country, build, street and water.In addition, a multi-domain feature relation learning network (MD-FRN) is proposed. Input by the features extracted from a four-branch network, both feature relations in spatial and scale domains are learned via a spatial correlation module (SCM) and multi-scale adaptive aggregation module (MSAG), respectively. To further aggregate the multi-domain relations, a deep domain interactive mechanism (DIM) is applied, where the learnt spatial-relation and scale-relation features are exchanged and further input into MSCRM and SCM. This mechanism allows our model to learn interactive cross-domain feature relations, leading to improved robustness to significant appearance changes due to different modality.

  • 5 authors
·
Aug 9, 2023

BaRISTA: Brain Scale Informed Spatiotemporal Representation of Human Intracranial Neural Activity

Intracranial recordings have opened a unique opportunity to simultaneously measure activity across multiregional networks in the human brain. Recent works have focused on developing transformer-based neurofoundation models of such recordings that can generalize across subjects and datasets. However, these recordings exhibit highly complex spatiotemporal interactions across diverse spatial scales, from the single-channel scale to the scale of brain regions. As such, there remain critical open questions regarding how best to encode spatial information and how to design self-supervision tasks that enable the learning of brain network patterns and enhance downstream decoding performance using such high-dimensional, multiregional recordings. To allow for exploring these questions, we propose a new spatiotemporal transformer model of multiregional neural activity and a corresponding self-supervised masked latent reconstruction task, designed to enable flexibility in the spatial scale used for token encoding and masking. Applying this model on publicly available multiregional intracranial electrophysiology (iEEG) data, we demonstrate that adjusting the spatial scale for both token encoding and masked reconstruction significantly impacts downstream decoding. Further, we find that spatial encoding at larger scales than channel-level encoding, which is commonly used in existing iEEG transformer models, improves downstream decoding performance. Finally, we demonstrate that our method allows for region-level token encoding while also maintaining accurate channel-level neural reconstruction. Taken together, our modeling framework enables exploration of the spatial scales used for token encoding and masking, reveals their importance towards self-supervised pretraining of neurofoundation models of multiregional human brain activity, and enhances downstream decoding performance.

  • 3 authors
·
Dec 12, 2025

Multimodal Optimal Transport-based Co-Attention Transformer with Global Structure Consistency for Survival Prediction

Survival prediction is a complicated ordinal regression task that aims to predict the ranking risk of death, which generally benefits from the integration of histology and genomic data. Despite the progress in joint learning from pathology and genomics, existing methods still suffer from challenging issues: 1) Due to the large size of pathological images, it is difficult to effectively represent the gigapixel whole slide images (WSIs). 2) Interactions within tumor microenvironment (TME) in histology are essential for survival analysis. Although current approaches attempt to model these interactions via co-attention between histology and genomic data, they focus on only dense local similarity across modalities, which fails to capture global consistency between potential structures, i.e. TME-related interactions of histology and co-expression of genomic data. To address these challenges, we propose a Multimodal Optimal Transport-based Co-Attention Transformer framework with global structure consistency, in which optimal transport (OT) is applied to match patches of a WSI and genes embeddings for selecting informative patches to represent the gigapixel WSI. More importantly, OT-based co-attention provides a global awareness to effectively capture structural interactions within TME for survival prediction. To overcome high computational complexity of OT, we propose a robust and efficient implementation over micro-batch of WSI patches by approximating the original OT with unbalanced mini-batch OT. Extensive experiments show the superiority of our method on five benchmark datasets compared to the state-of-the-art methods. The code is released.

  • 2 authors
·
Jun 14, 2023

InterAnimate: Taming Region-aware Diffusion Model for Realistic Human Interaction Animation

Recent video generation research has focused heavily on isolated actions, leaving interactive motions-such as hand-face interactions-largely unexamined. These interactions are essential for emerging biometric authentication systems, which rely on interactive motion-based anti-spoofing approaches. From a security perspective, there is a growing need for large-scale, high-quality interactive videos to train and strengthen authentication models. In this work, we introduce a novel paradigm for animating realistic hand-face interactions. Our approach simultaneously learns spatio-temporal contact dynamics and biomechanically plausible deformation effects, enabling natural interactions where hand movements induce anatomically accurate facial deformations while maintaining collision-free contact. To facilitate this research, we present InterHF, a large-scale hand-face interaction dataset featuring 18 interaction patterns and 90,000 annotated videos. Additionally, we propose InterAnimate, a region-aware diffusion model designed specifically for interaction animation. InterAnimate leverages learnable spatial and temporal latents to effectively capture dynamic interaction priors and integrates a region-aware interaction mechanism that injects these priors into the denoising process. To the best of our knowledge, this work represents the first large-scale effort to systematically study human hand-face interactions. Qualitative and quantitative results show InterAnimate produces highly realistic animations, setting a new benchmark. Code and data will be made public to advance research.

  • 13 authors
·
Apr 15, 2025

Simplicial Closure and higher-order link prediction

Networks provide a powerful formalism for modeling complex systems by using a model of pairwise interactions. But much of the structure within these systems involves interactions that take place among more than two nodes at once; for example, communication within a group rather than person-to person, collaboration among a team rather than a pair of coauthors, or biological interaction between a set of molecules rather than just two. Such higher-order interactions are ubiquitous, but their empirical study has received limited attention, and little is known about possible organizational principles of such structures. Here we study the temporal evolution of 19 datasets with explicit accounting for higher-order interactions. We show that there is a rich variety of structure in our datasets but datasets from the same system types have consistent patterns of higher-order structure. Furthermore, we find that tie strength and edge density are competing positive indicators of higher-order organization, and these trends are consistent across interactions involving differing numbers of nodes. To systematically further the study of theories for such higher-order structures, we propose higher-order link prediction as a benchmark problem to assess models and algorithms that predict higher-order structure. We find a fundamental differences from traditional pairwise link prediction, with a greater role for local rather than long-range information in predicting the appearance of new interactions.

  • 5 authors
·
Feb 19, 2018

One-hot Generalized Linear Model for Switching Brain State Discovery

Exposing meaningful and interpretable neural interactions is critical to understanding neural circuits. Inferred neural interactions from neural signals primarily reflect functional interactions. In a long experiment, subject animals may experience different stages defined by the experiment, stimuli, or behavioral states, and hence functional interactions can change over time. To model dynamically changing functional interactions, prior work employs state-switching generalized linear models with hidden Markov models (i.e., HMM-GLMs). However, we argue they lack biological plausibility, as functional interactions are shaped and confined by the underlying anatomical connectome. Here, we propose a novel prior-informed state-switching GLM. We introduce both a Gaussian prior and a one-hot prior over the GLM in each state. The priors are learnable. We will show that the learned prior should capture the state-constant interaction, shedding light on the underlying anatomical connectome and revealing more likely physical neuron interactions. The state-dependent interaction modeled by each GLM offers traceability to capture functional variations across multiple brain states. Our methods effectively recover true interaction structures in simulated data, achieve the highest predictive likelihood with real neural datasets, and render interaction structures and hidden states more interpretable when applied to real neural data.

  • 5 authors
·
Oct 23, 2023

Learning dynamic representations of the functional connectome in neurobiological networks

The static synaptic connectivity of neuronal circuits stands in direct contrast to the dynamics of their function. As in changing community interactions, different neurons can participate actively in various combinations to effect behaviors at different times. We introduce an unsupervised approach to learn the dynamic affinities between neurons in live, behaving animals, and to reveal which communities form among neurons at different times. The inference occurs in two major steps. First, pairwise non-linear affinities between neuronal traces from brain-wide calcium activity are organized by non-negative tensor factorization (NTF). Each factor specifies which groups of neurons are most likely interacting for an inferred interval in time, and for which animals. Finally, a generative model that allows for weighted community detection is applied to the functional motifs produced by NTF to reveal a dynamic functional connectome. Since time codes the different experimental variables (e.g., application of chemical stimuli), this provides an atlas of neural motifs active during separate stages of an experiment (e.g., stimulus application or spontaneous behaviors). Results from our analysis are experimentally validated, confirming that our method is able to robustly predict causal interactions between neurons to generate behavior. Code is available at https://github.com/dyballa/dynamic-connectomes.

  • 5 authors
·
Feb 21, 2024

MAMMAL -- Molecular Aligned Multi-Modal Architecture and Language

Drug discovery typically consists of multiple steps, including identifying a target protein key to a disease's etiology, validating that interacting with this target could prevent symptoms or cure the disease, discovering a small molecule or biologic therapeutic to interact with it, and optimizing the candidate molecule through a complex landscape of required properties. Drug discovery related tasks often involve prediction and generation while considering multiple entities that potentially interact, which poses a challenge for typical AI models. For this purpose we present MAMMAL - Molecular Aligned Multi-Modal Architecture and Language - a method that we applied to create a versatile multi-task foundation model ibm/biomed.omics.bl.sm.ma-ted-458m that learns from large-scale biological datasets (2 billion samples) across diverse modalities, including proteins, small molecules, and genes. We introduce a prompt syntax that supports a wide range of classification, regression, and generation tasks. It allows combining different modalities and entity types as inputs and/or outputs. Our model handles combinations of tokens and scalars and enables the generation of small molecules and proteins, property prediction, and transcriptomic lab test predictions. We evaluated the model on 11 diverse downstream tasks spanning different steps within a typical drug discovery pipeline, where it reaches new SOTA in 9 tasks and is comparable to SOTA in 2 tasks. This performance is achieved while using a unified architecture serving all tasks, in contrast to the original SOTA performance achieved using tailored architectures. The model code and pretrained weights are publicly available at https://github.com/BiomedSciAI/biomed-multi-alignment and https://huggingface.co/ibm/biomed.omics.bl.sm.ma-ted-458m.

  • 19 authors
·
Oct 28, 2024

CRISP-SAM2: SAM2 with Cross-Modal Interaction and Semantic Prompting for Multi-Organ Segmentation

Multi-organ medical segmentation is a crucial component of medical image processing, essential for doctors to make accurate diagnoses and develop effective treatment plans. Despite significant progress in this field, current multi-organ segmentation models often suffer from inaccurate details, dependence on geometric prompts and loss of spatial information. Addressing these challenges, we introduce a novel model named CRISP-SAM2 with CRoss-modal Interaction and Semantic Prompting based on SAM2. This model represents a promising approach to multi-organ medical segmentation guided by textual descriptions of organs. Our method begins by converting visual and textual inputs into cross-modal contextualized semantics using a progressive cross-attention interaction mechanism. These semantics are then injected into the image encoder to enhance the detailed understanding of visual information. To eliminate reliance on geometric prompts, we use a semantic prompting strategy, replacing the original prompt encoder to sharpen the perception of challenging targets. In addition, a similarity-sorting self-updating strategy for memory and a mask-refining process is applied to further adapt to medical imaging and enhance localized details. Comparative experiments conducted on seven public datasets indicate that CRISP-SAM2 outperforms existing models. Extensive analysis also demonstrates the effectiveness of our method, thereby confirming its superior performance, especially in addressing the limitations mentioned earlier. Our code is available at: https://github.com/YU-deep/CRISP\_SAM2.git.

  • 8 authors
·
Jun 29, 2025 1

Region Attention Transformer for Medical Image Restoration

Transformer-based methods have demonstrated impressive results in medical image restoration, attributed to the multi-head self-attention (MSA) mechanism in the spatial dimension. However, the majority of existing Transformers conduct attention within fixed and coarsely partitioned regions (e.g. the entire image or fixed patches), resulting in interference from irrelevant regions and fragmentation of continuous image content. To overcome these challenges, we introduce a novel Region Attention Transformer (RAT) that utilizes a region-based multi-head self-attention mechanism (R-MSA). The R-MSA dynamically partitions the input image into non-overlapping semantic regions using the robust Segment Anything Model (SAM) and then performs self-attention within these regions. This region partitioning is more flexible and interpretable, ensuring that only pixels from similar semantic regions complement each other, thereby eliminating interference from irrelevant regions. Moreover, we introduce a focal region loss to guide our model to adaptively focus on recovering high-difficulty regions. Extensive experiments demonstrate the effectiveness of RAT in various medical image restoration tasks, including PET image synthesis, CT image denoising, and pathological image super-resolution. Code is available at https://github.com/Yaziwel/Region-Attention-Transformer-for-Medical-Image-Restoration.git{https://github.com/RAT}.

  • 8 authors
·
Jul 12, 2024

Learning Video Generation for Robotic Manipulation with Collaborative Trajectory Control

Recent advances in video diffusion models have demonstrated strong potential for generating robotic decision-making data, with trajectory conditions further enabling fine-grained control. However, existing trajectory-based methods primarily focus on individual object motion and struggle to capture multi-object interaction crucial in complex robotic manipulation. This limitation arises from multi-feature entanglement in overlapping regions, which leads to degraded visual fidelity. To address this, we present RoboMaster, a novel framework that models inter-object dynamics through a collaborative trajectory formulation. Unlike prior methods that decompose objects, our core is to decompose the interaction process into three sub-stages: pre-interaction, interaction, and post-interaction. Each stage is modeled using the feature of the dominant object, specifically the robotic arm in the pre- and post-interaction phases and the manipulated object during interaction, thereby mitigating the drawback of multi-object feature fusion present during interaction in prior work. To further ensure subject semantic consistency throughout the video, we incorporate appearance- and shape-aware latent representations for objects. Extensive experiments on the challenging Bridge V2 dataset, as well as in-the-wild evaluation, demonstrate that our method outperforms existing approaches, establishing new state-of-the-art performance in trajectory-controlled video generation for robotic manipulation.

  • 8 authors
·
Jun 2, 2025 2

MechGPT, a language-based strategy for mechanics and materials modeling that connects knowledge across scales, disciplines and modalities

For centuries, researchers have sought out ways to connect disparate areas of knowledge. While early scholars (Galileo, da Vinci, etc.) were experts across fields, specialization has taken hold later. With the advent of Artificial Intelligence, we can now explore relationships across areas (e.g., mechanics-biology) or disparate domains (e.g., failure mechanics-art). To achieve this, we use a fine-tuned Large Language Model (LLM), here for a subset of knowledge in multiscale materials failure. The approach includes the use of a general-purpose LLM to distill question-answer pairs from raw sources followed by LLM fine-tuning. The resulting MechGPT LLM foundation model is used in a series of computational experiments to explore its capacity for knowledge retrieval, various language tasks, hypothesis generation, and connecting knowledge across disparate areas. While the model has some ability to recall knowledge from training, we find that LLMs are particularly useful to extract structural insights through Ontological Knowledge Graphs. These interpretable graph structures provide explanatory insights, frameworks for new research questions, and visual representations of knowledge that also can be used in retrieval-augmented generation. Three versions of MechGPT are discussed, featuring different sizes from 13 billion to 70 billion parameters, and reaching context lengths of more than 10,000 tokens. This provides ample capacity for sophisticated retrieval augmented strategies, as well as agent-based modeling where multiple LLMs interact collaboratively and/or adversarially, the incorporation of new data from the literature or web searches, as well as multimodality.

  • 1 authors
·
Oct 16, 2023

Strip-MLP: Efficient Token Interaction for Vision MLP

Token interaction operation is one of the core modules in MLP-based models to exchange and aggregate information between different spatial locations. However, the power of token interaction on the spatial dimension is highly dependent on the spatial resolution of the feature maps, which limits the model's expressive ability, especially in deep layers where the feature are down-sampled to a small spatial size. To address this issue, we present a novel method called Strip-MLP to enrich the token interaction power in three ways. Firstly, we introduce a new MLP paradigm called Strip MLP layer that allows the token to interact with other tokens in a cross-strip manner, enabling the tokens in a row (or column) to contribute to the information aggregations in adjacent but different strips of rows (or columns). Secondly, a Cascade Group Strip Mixing Module (CGSMM) is proposed to overcome the performance degradation caused by small spatial feature size. The module allows tokens to interact more effectively in the manners of within-patch and cross-patch, which is independent to the feature spatial size. Finally, based on the Strip MLP layer, we propose a novel Local Strip Mixing Module (LSMM) to boost the token interaction power in the local region. Extensive experiments demonstrate that Strip-MLP significantly improves the performance of MLP-based models on small datasets and obtains comparable or even better results on ImageNet. In particular, Strip-MLP models achieve higher average Top-1 accuracy than existing MLP-based models by +2.44\% on Caltech-101 and +2.16\% on CIFAR-100. The source codes will be available at~https://github.com/Med-Process/Strip_MLP{https://github.com/Med-Process/Strip\_MLP.

  • 7 authors
·
Jul 21, 2023

Video-Text as Game Players: Hierarchical Banzhaf Interaction for Cross-Modal Representation Learning

Contrastive learning-based video-language representation learning approaches, e.g., CLIP, have achieved outstanding performance, which pursue semantic interaction upon pre-defined video-text pairs. To clarify this coarse-grained global interaction and move a step further, we have to encounter challenging shell-breaking interactions for fine-grained cross-modal learning. In this paper, we creatively model video-text as game players with multivariate cooperative game theory to wisely handle the uncertainty during fine-grained semantic interaction with diverse granularity, flexible combination, and vague intensity. Concretely, we propose Hierarchical Banzhaf Interaction (HBI) to value possible correspondence between video frames and text words for sensitive and explainable cross-modal contrast. To efficiently realize the cooperative game of multiple video frames and multiple text words, the proposed method clusters the original video frames (text words) and computes the Banzhaf Interaction between the merged tokens. By stacking token merge modules, we achieve cooperative games at different semantic levels. Extensive experiments on commonly used text-video retrieval and video-question answering benchmarks with superior performances justify the efficacy of our HBI. More encouragingly, it can also serve as a visualization tool to promote the understanding of cross-modal interaction, which have a far-reaching impact on the community. Project page is available at https://jpthu17.github.io/HBI/.

  • 8 authors
·
Mar 25, 2023

Tackling the Challenges in Scene Graph Generation with Local-to-Global Interactions

In this work, we seek new insights into the underlying challenges of the Scene Graph Generation (SGG) task. Quantitative and qualitative analysis of the Visual Genome dataset implies -- 1) Ambiguity: even if inter-object relationship contains the same object (or predicate), they may not be visually or semantically similar, 2) Asymmetry: despite the nature of the relationship that embodied the direction, it was not well addressed in previous studies, and 3) Higher-order contexts: leveraging the identities of certain graph elements can help to generate accurate scene graphs. Motivated by the analysis, we design a novel SGG framework, Local-to-Global Interaction Networks (LOGIN). Locally, interactions extract the essence between three instances of subject, object, and background, while baking direction awareness into the network by explicitly constraining the input order of subject and object. Globally, interactions encode the contexts between every graph component (i.e., nodes and edges). Finally, Attract & Repel loss is utilized to fine-tune the distribution of predicate embeddings. By design, our framework enables predicting the scene graph in a bottom-up manner, leveraging the possible complementariness. To quantify how much LOGIN is aware of relational direction, a new diagnostic task called Bidirectional Relationship Classification (BRC) is also proposed. Experimental results demonstrate that LOGIN can successfully distinguish relational direction than existing methods (in BRC task), while showing state-of-the-art results on the Visual Genome benchmark (in SGG task).

  • 3 authors
·
Jun 15, 2021

CellCLIP -- Learning Perturbation Effects in Cell Painting via Text-Guided Contrastive Learning

High-content screening (HCS) assays based on high-throughput microscopy techniques such as Cell Painting have enabled the interrogation of cells' morphological responses to perturbations at an unprecedented scale. The collection of such data promises to facilitate a better understanding of the relationships between different perturbations and their effects on cellular state. Towards achieving this goal, recent advances in cross-modal contrastive learning could, in theory, be leveraged to learn a unified latent space that aligns perturbations with their corresponding morphological effects. However, the application of such methods to HCS data is not straightforward due to substantial differences in the semantics of Cell Painting images compared to natural images, and the difficulty of representing different classes of perturbations (e.g., small molecule vs CRISPR gene knockout) in a single latent space. In response to these challenges, here we introduce CellCLIP, a cross-modal contrastive learning framework for HCS data. CellCLIP leverages pre-trained image encoders coupled with a novel channel encoding scheme to better capture relationships between different microscopy channels in image embeddings, along with natural language encoders for representing perturbations. Our framework outperforms current open-source models, demonstrating the best performance in both cross-modal retrieval and biologically meaningful downstream tasks while also achieving significant reductions in computation time.

  • 4 authors
·
May 16, 2025

MoReact: Generating Reactive Motion from Textual Descriptions

Modeling and generating human reactions poses a significant challenge with broad applications for computer vision and human-computer interaction. Existing methods either treat multiple individuals as a single entity, directly generating interactions, or rely solely on one person's motion to generate the other's reaction, failing to integrate the rich semantic information that underpins human interactions. Yet, these methods often fall short in adaptive responsiveness, i.e., the ability to accurately respond to diverse and dynamic interaction scenarios. Recognizing this gap, our work introduces an approach tailored to address the limitations of existing models by focusing on text-driven human reaction generation. Our model specifically generates realistic motion sequences for individuals that responding to the other's actions based on a descriptive text of the interaction scenario. The goal is to produce motion sequences that not only complement the opponent's movements but also semantically fit the described interactions. To achieve this, we present MoReact, a diffusion-based method designed to disentangle the generation of global trajectories and local motions sequentially. This approach stems from the observation that generating global trajectories first is crucial for guiding local motion, ensuring better alignment with given action and text. Furthermore, we introduce a novel interaction loss to enhance the realism of generated close interactions. Our experiments, utilizing data adapted from a two-person motion dataset, demonstrate the efficacy of our approach for this novel task, which is capable of producing realistic, diverse, and controllable reactions that not only closely match the movements of the counterpart but also adhere to the textual guidance. Please find our webpage at https://xiyan-xu.github.io/MoReactWebPage.

  • 4 authors
·
Sep 28, 2025

Omni-Effects: Unified and Spatially-Controllable Visual Effects Generation

Visual effects (VFX) are essential visual enhancements fundamental to modern cinematic production. Although video generation models offer cost-efficient solutions for VFX production, current methods are constrained by per-effect LoRA training, which limits generation to single effects. This fundamental limitation impedes applications that require spatially controllable composite effects, i.e., the concurrent generation of multiple effects at designated locations. However, integrating diverse effects into a unified framework faces major challenges: interference from effect variations and spatial uncontrollability during multi-VFX joint training. To tackle these challenges, we propose Omni-Effects, a first unified framework capable of generating prompt-guided effects and spatially controllable composite effects. The core of our framework comprises two key innovations: (1) LoRA-based Mixture of Experts (LoRA-MoE), which employs a group of expert LoRAs, integrating diverse effects within a unified model while effectively mitigating cross-task interference. (2) Spatial-Aware Prompt (SAP) incorporates spatial mask information into the text token, enabling precise spatial control. Furthermore, we introduce an Independent-Information Flow (IIF) module integrated within the SAP, isolating the control signals corresponding to individual effects to prevent any unwanted blending. To facilitate this research, we construct a comprehensive VFX dataset Omni-VFX via a novel data collection pipeline combining image editing and First-Last Frame-to-Video (FLF2V) synthesis, and introduce a dedicated VFX evaluation framework for validating model performance. Extensive experiments demonstrate that Omni-Effects achieves precise spatial control and diverse effect generation, enabling users to specify both the category and location of desired effects.

  • 10 authors
·
Aug 11, 2025 3

CHORUS: Learning Canonicalized 3D Human-Object Spatial Relations from Unbounded Synthesized Images

We present a method for teaching machines to understand and model the underlying spatial common sense of diverse human-object interactions in 3D in a self-supervised way. This is a challenging task, as there exist specific manifolds of the interactions that can be considered human-like and natural, but the human pose and the geometry of objects can vary even for similar interactions. Such diversity makes the annotating task of 3D interactions difficult and hard to scale, which limits the potential to reason about that in a supervised way. One way of learning the 3D spatial relationship between humans and objects during interaction is by showing multiple 2D images captured from different viewpoints when humans interact with the same type of objects. The core idea of our method is to leverage a generative model that produces high-quality 2D images from an arbitrary text prompt input as an "unbounded" data generator with effective controllability and view diversity. Despite its imperfection of the image quality over real images, we demonstrate that the synthesized images are sufficient to learn the 3D human-object spatial relations. We present multiple strategies to leverage the synthesized images, including (1) the first method to leverage a generative image model for 3D human-object spatial relation learning; (2) a framework to reason about the 3D spatial relations from inconsistent 2D cues in a self-supervised manner via 3D occupancy reasoning with pose canonicalization; (3) semantic clustering to disambiguate different types of interactions with the same object types; and (4) a novel metric to assess the quality of 3D spatial learning of interaction.

  • 2 authors
·
Aug 23, 2023

MedTrinity-25M: A Large-scale Multimodal Dataset with Multigranular Annotations for Medicine

This paper introduces MedTrinity-25M, a comprehensive, large-scale multimodal dataset for medicine, covering over 25 million images across 10 modalities, with multigranular annotations for more than 65 diseases. These enriched annotations encompass both global textual information, such as disease/lesion type, modality, region-specific descriptions, and inter-regional relationships, as well as detailed local annotations for regions of interest (ROIs), including bounding boxes, segmentation masks. Unlike existing approach which is limited by the availability of image-text pairs, we have developed the first automated pipeline that scales up multimodal data by generating multigranular visual and texual annotations (in the form of image-ROI-description triplets) without the need for any paired text descriptions. Specifically, data from over 90 different sources have been collected, preprocessed, and grounded using domain-specific expert models to identify ROIs related to abnormal regions. We then build a comprehensive knowledge base and prompt multimodal large language models to perform retrieval-augmented generation with the identified ROIs as guidance, resulting in multigranular texual descriptions. Compared to existing datasets, MedTrinity-25M provides the most enriched annotations, supporting a comprehensive range of multimodal tasks such as captioning and report generation, as well as vision-centric tasks like classification and segmentation. Pretraining on MedTrinity-25M, our model achieves state-of-the-art performance on VQA-RAD and PathVQA, surpassing both multimodal large language models and other representative SoTA approaches. This dataset can also be utilized to support large-scale pre-training of multimodal medical AI models, contributing to the development of future foundation models in the medical domain.

  • 11 authors
·
Aug 5, 2024 2

Beyond One-to-One: Rethinking the Referring Image Segmentation

Referring image segmentation aims to segment the target object referred by a natural language expression. However, previous methods rely on the strong assumption that one sentence must describe one target in the image, which is often not the case in real-world applications. As a result, such methods fail when the expressions refer to either no objects or multiple objects. In this paper, we address this issue from two perspectives. First, we propose a Dual Multi-Modal Interaction (DMMI) Network, which contains two decoder branches and enables information flow in two directions. In the text-to-image decoder, text embedding is utilized to query the visual feature and localize the corresponding target. Meanwhile, the image-to-text decoder is implemented to reconstruct the erased entity-phrase conditioned on the visual feature. In this way, visual features are encouraged to contain the critical semantic information about target entity, which supports the accurate segmentation in the text-to-image decoder in turn. Secondly, we collect a new challenging but realistic dataset called Ref-ZOM, which includes image-text pairs under different settings. Extensive experiments demonstrate our method achieves state-of-the-art performance on different datasets, and the Ref-ZOM-trained model performs well on various types of text inputs. Codes and datasets are available at https://github.com/toggle1995/RIS-DMMI.

  • 7 authors
·
Aug 26, 2023

Multiphysics Bench: Benchmarking and Investigating Scientific Machine Learning for Multiphysics PDEs

Solving partial differential equations (PDEs) with machine learning has recently attracted great attention, as PDEs are fundamental tools for modeling real-world systems that range from fundamental physical science to advanced engineering disciplines. Most real-world physical systems across various disciplines are actually involved in multiple coupled physical fields rather than a single field. However, previous machine learning studies mainly focused on solving single-field problems, but overlooked the importance and characteristics of multiphysics problems in real world. Multiphysics PDEs typically entail multiple strongly coupled variables, thereby introducing additional complexity and challenges, such as inter-field coupling. Both benchmarking and solving multiphysics problems with machine learning remain largely unexamined. To identify and address the emerging challenges in multiphysics problems, we mainly made three contributions in this work. First, we collect the first general multiphysics dataset, the Multiphysics Bench, that focuses on multiphysics PDE solving with machine learning. Multiphysics Bench is also the most comprehensive PDE dataset to date, featuring the broadest range of coupling types, the greatest diversity of PDE formulations, and the largest dataset scale. Second, we conduct the first systematic investigation on multiple representative learning-based PDE solvers, such as PINNs, FNO, DeepONet, and DiffusionPDE solvers, on multiphysics problems. Unfortunately, naively applying these existing solvers usually show very poor performance for solving multiphysics. Third, through extensive experiments and discussions, we report multiple insights and a bag of useful tricks for solving multiphysics with machine learning, motivating future directions in the study and simulation of complex, coupled physical systems.

  • 5 authors
·
May 23, 2025

Optimizing Feature Set for Click-Through Rate Prediction

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

  • 6 authors
·
Jan 25, 2023

HA-HI: Synergising fMRI and DTI through Hierarchical Alignments and Hierarchical Interactions for Mild Cognitive Impairment Diagnosis

Early diagnosis of mild cognitive impairment (MCI) and subjective cognitive decline (SCD) utilizing multi-modal magnetic resonance imaging (MRI) is a pivotal area of research. While various regional and connectivity features from functional MRI (fMRI) and diffusion tensor imaging (DTI) have been employed to develop diagnosis models, most studies integrate these features without adequately addressing their alignment and interactions. This limits the potential to fully exploit the synergistic contributions of combined features and modalities. To solve this gap, our study introduces a novel Hierarchical Alignments and Hierarchical Interactions (HA-HI) method for MCI and SCD classification, leveraging the combined strengths of fMRI and DTI. HA-HI efficiently learns significant MCI- or SCD- related regional and connectivity features by aligning various feature types and hierarchically maximizing their interactions. Furthermore, to enhance the interpretability of our approach, we have developed the Synergistic Activation Map (SAM) technique, revealing the critical brain regions and connections that are indicative of MCI/SCD. Comprehensive evaluations on the ADNI dataset and our self-collected data demonstrate that HA-HI outperforms other existing methods in diagnosing MCI and SCD, making it a potentially vital and interpretable tool for early detection. The implementation of this method is publicly accessible at https://github.com/ICI-BCI/Dual-MRI-HA-HI.git.

  • 7 authors
·
Jan 2, 2024

GPT4RoI: Instruction Tuning Large Language Model on Region-of-Interest

Instruction tuning large language model (LLM) on image-text pairs has achieved unprecedented vision-language multimodal abilities. However, their vision-language alignments are only built on image-level, the lack of region-level alignment limits their advancements to fine-grained multimodal understanding. In this paper, we propose instruction tuning on region-of-interest. The key design is to reformulate the bounding box as the format of spatial instruction. The interleaved sequences of visual features extracted by the spatial instruction and the language embedding are input to LLM, and trained on the transformed region-text data in instruction tuning format. Our region-level vision-language model, termed as GPT4RoI, brings brand new conversational and interactive experience beyond image-level understanding. (1) Controllability: Users can interact with our model by both language and spatial instructions to flexibly adjust the detail level of the question. (2) Capacities: Our model supports not only single-region spatial instruction but also multi-region. This unlocks more region-level multimodal capacities such as detailed region caption and complex region reasoning. (3) Composition: Any off-the-shelf object detector can be a spatial instruction provider so as to mine informative object attributes from our model, like color, shape, material, action, relation to other objects, etc. The code, data, and demo can be found at https://github.com/jshilong/GPT4RoI.

  • 8 authors
·
Jul 7, 2023

Omni-Mol: Exploring Universal Convergent Space for Omni-Molecular Tasks

Building generalist models has recently demonstrated remarkable capabilities in diverse scientific domains. Within the realm of molecular learning, several studies have explored unifying diverse tasks across diverse domains. However, negative conflicts and interference between molecules and knowledge from different domain may have a worse impact in threefold. First, conflicting molecular representations can lead to optimization difficulties for the models. Second, mixing and scaling up training data across diverse tasks is inherently challenging. Third, the computational cost of refined pretraining is prohibitively high. To address these limitations, this paper presents Omni-Mol, a scalable and unified LLM-based framework for direct instruction tuning. Omni-Mol builds on three key components to tackles conflicts: (1) a unified encoding mechanism for any task input; (2) an active-learning-driven data selection strategy that significantly reduces dataset size; (3) a novel design of the adaptive gradient stabilization module and anchor-and-reconcile MoE framework that ensures stable convergence. Experimentally, Omni-Mol achieves state-of-the-art performance across 15 molecular tasks, demonstrates the presence of scaling laws in the molecular domain, and is supported by extensive ablation studies and analyses validating the effectiveness of its design. The code and weights of the powerful AI-driven chemistry generalist are open-sourced at: https://anonymous.4open.science/r/Omni-Mol-8EDB.

  • 5 authors
·
Feb 3, 2025

HEMM: Holistic Evaluation of Multimodal Foundation Models

Multimodal foundation models that can holistically process text alongside images, video, audio, and other sensory modalities are increasingly used in a variety of real-world applications. However, it is challenging to characterize and study progress in multimodal foundation models, given the range of possible modeling decisions, tasks, and domains. In this paper, we introduce Holistic Evaluation of Multimodal Models (HEMM) to systematically evaluate the capabilities of multimodal foundation models across a set of 3 dimensions: basic skills, information flow, and real-world use cases. Basic multimodal skills are internal abilities required to solve problems, such as learning interactions across modalities, fine-grained alignment, multi-step reasoning, and the ability to handle external knowledge. Information flow studies how multimodal content changes during a task through querying, translation, editing, and fusion. Use cases span domain-specific challenges introduced in real-world multimedia, affective computing, natural sciences, healthcare, and human-computer interaction applications. Through comprehensive experiments across the 30 tasks in HEMM, we (1) identify key dataset dimensions (e.g., basic skills, information flows, and use cases) that pose challenges to today's models, and (2) distill performance trends regarding how different modeling dimensions (e.g., scale, pre-training data, multimodal alignment, pre-training, and instruction tuning objectives) influence performance. Our conclusions regarding challenging multimodal interactions, use cases, and tasks requiring reasoning and external knowledge, the benefits of data and model scale, and the impacts of instruction tuning yield actionable insights for future work in multimodal foundation models.

  • 7 authors
·
Jul 3, 2024 1

Draw-and-Understand: Leveraging Visual Prompts to Enable MLLMs to Comprehend What You Want

The interaction between humans and artificial intelligence (AI) is a crucial factor that reflects the effectiveness of multimodal large language models (MLLMs). However, current MLLMs primarily focus on image-level comprehension and limit interaction to textual instructions, thereby constraining their flexibility in usage and depth of response. In this paper, we introduce the Draw-and-Understand project: a new model, a multi-domain dataset, and a challenging benchmark for visual prompting. Specifically, we propose SPHINX-V, a new end-to-end trained Multimodal Large Language Model (MLLM) that connects a vision encoder, a visual prompt encoder and an LLM for various visual prompts (points, bounding boxes, and free-form shape) and language understanding. To advance visual prompting research for MLLMs, we introduce MDVP-Data and MDVP-Bench. MDVP-Data features a multi-domain dataset containing 1.6M unique image-visual prompt-text instruction-following samples, including natural images, document images, OCR images, mobile screenshots, web screenshots, and multi-panel images. Furthermore, we present MDVP-Bench, a comprehensive and challenging benchmark to assess a model's capability in understanding visual prompting instructions. Our experiments demonstrate SPHINX-V's impressive multimodal interaction capabilities through visual prompting, revealing significant improvements in detailed pixel-level description and question-answering abilities.

  • 9 authors
·
Mar 29, 2024

InterFormer: Real-time Interactive Image Segmentation

Interactive image segmentation enables annotators to efficiently perform pixel-level annotation for segmentation tasks. However, the existing interactive segmentation pipeline suffers from inefficient computations of interactive models because of the following two issues. First, annotators' later click is based on models' feedback of annotators' former click. This serial interaction is unable to utilize model's parallelism capabilities. Second, in each interaction step, the model handles the invariant image along with the sparse variable clicks, resulting in a process that's highly repetitive and redundant. For efficient computations, we propose a method named InterFormer that follows a new pipeline to address these issues. InterFormer extracts and preprocesses the computationally time-consuming part i.e. image processing from the existing process. Specifically, InterFormer employs a large vision transformer (ViT) on high-performance devices to preprocess images in parallel, and then uses a lightweight module called interactive multi-head self attention (I-MSA) for interactive segmentation. Furthermore, the I-MSA module's deployment on low-power devices extends the practical application of interactive segmentation. The I-MSA module utilizes the preprocessed features to efficiently response to the annotator inputs in real-time. The experiments on several datasets demonstrate the effectiveness of InterFormer, which outperforms previous interactive segmentation models in terms of computational efficiency and segmentation quality, achieve real-time high-quality interactive segmentation on CPU-only devices. The code is available at https://github.com/YouHuang67/InterFormer.

  • 7 authors
·
Apr 6, 2023 2

MaGRITTe: Manipulative and Generative 3D Realization from Image, Topview and Text

The generation of 3D scenes from user-specified conditions offers a promising avenue for alleviating the production burden in 3D applications. Previous studies required significant effort to realize the desired scene, owing to limited control conditions. We propose a method for controlling and generating 3D scenes under multimodal conditions using partial images, layout information represented in the top view, and text prompts. Combining these conditions to generate a 3D scene involves the following significant difficulties: (1) the creation of large datasets, (2) reflection on the interaction of multimodal conditions, and (3) domain dependence of the layout conditions. We decompose the process of 3D scene generation into 2D image generation from the given conditions and 3D scene generation from 2D images. 2D image generation is achieved by fine-tuning a pretrained text-to-image model with a small artificial dataset of partial images and layouts, and 3D scene generation is achieved by layout-conditioned depth estimation and neural radiance fields (NeRF), thereby avoiding the creation of large datasets. The use of a common representation of spatial information using 360-degree images allows for the consideration of multimodal condition interactions and reduces the domain dependence of the layout control. The experimental results qualitatively and quantitatively demonstrated that the proposed method can generate 3D scenes in diverse domains, from indoor to outdoor, according to multimodal conditions.

  • 2 authors
·
Mar 30, 2024 11

Cream of the Crop: Harvesting Rich, Scalable and Transferable Multi-Modal Data for Instruction Fine-Tuning

The hypothesis that pretrained large language models (LLMs) necessitate only minimal supervision during the fine-tuning (SFT) stage (Zhou et al., 2024) has been substantiated by recent advancements in data curation and selection research. However, their stability and generalizability are compromised due to the vulnerability to experimental setups and validation protocols, falling short of surpassing random sampling (Diddee & Ippolito, 2024; Xia et al., 2024b). Built upon LLMs, multi-modal LLMs (MLLMs), combined with the sheer token volume and heightened heterogeneity of data sources, amplify both the significance and complexity of data selection. To harvest multi-modal instructional data in a robust and efficient manner, we re-define the granularity of the quality metric by decomposing it into 14 vision-language-related capabilities, and introduce multi-modal rich scorers to evaluate the capabilities of each data candidate. To promote diversity, in light of the inherent objective of the alignment stage, we take interaction style as diversity indicator and use a multi-modal rich styler to identify data instruction patterns. In doing so, our multi-modal rich scorers and styler (mmSSR) guarantee that high-scoring information is conveyed to users in diversified forms. Free from embedding-based clustering or greedy sampling, mmSSR efficiently scales to millions of data with varying budget constraints, supports customization for general or specific capability acquisition, and facilitates training-free generalization to new domains for curation. Across 10+ experimental settings, validated by 14 multi-modal benchmarks, we demonstrate consistent improvements over random sampling, baseline strategies and state-of-the-art selection methods, achieving 99.1% of full performance with only 30% of the 2.6M data.

  • 8 authors
·
Mar 17, 2025

Co-Seg++: Mutual Prompt-Guided Collaborative Learning for Versatile Medical Segmentation

Medical image analysis is critical yet challenged by the need of jointly segmenting organs or tissues, and numerous instances for anatomical structures and tumor microenvironment analysis. Existing studies typically formulated different segmentation tasks in isolation, which overlooks the fundamental interdependencies between these tasks, leading to suboptimal segmentation performance and insufficient medical image understanding. To address this issue, we propose a Co-Seg++ framework for versatile medical segmentation. Specifically, we introduce a novel co-segmentation paradigm, allowing semantic and instance segmentation tasks to mutually enhance each other. We first devise a spatio-temporal prompt encoder (STP-Encoder) to capture long-range spatial and temporal relationships between segmentation regions and image embeddings as prior spatial constraints. Moreover, we devise a multi-task collaborative decoder (MTC-Decoder) that leverages cross-guidance to strengthen the contextual consistency of both tasks, jointly computing semantic and instance segmentation masks. Extensive experiments on diverse CT and histopathology datasets demonstrate that the proposed Co-Seg++ outperforms state-of-the-arts in the semantic, instance, and panoptic segmentation of dental anatomical structures, histopathology tissues, and nuclei instances. The source code is available at https://github.com/xq141839/Co-Seg-Plus.

  • 4 authors
·
Jun 20, 2025

Long-context Protein Language Model

Self-supervised training of language models (LMs) has seen great success for protein sequences in learning meaningful representations and for generative drug design. Most protein LMs are based on the Transformer architecture trained on individual proteins with short context lengths. Such protein LMs cannot extrapolate to longer proteins and protein complexes well. They also fail to account for the underlying biological mechanisms carried out by biomolecular interactions and dynamics i.e., proteins often interact with other proteins, molecules, and pathways in complex biological systems. In this work, we propose LC-PLM based on an alternative protein LM architecture, BiMamba-S, built off selective structured state-space models, to learn high-quality universal protein representations at the amino acid token level using masked language modeling. We also introduce its graph-contextual variant, LC-PLM-G, which contextualizes protein-protein interaction (PPI) graphs for a second stage of training. LC-PLM demonstrates favorable neural scaling laws, better length extrapolation capability, and a 7% to 34% improvement on protein downstream tasks than Transformer-based ESM-2. LC-PLM-G further trained within the context of PPI graphs shows promising results on protein structure and function prediction tasks. Our study demonstrates the benefit of increasing the context size with computationally efficient LM architecture (e.g. structured state space models) in learning universal protein representations and incorporating molecular interaction context contained in biological graphs.

  • 7 authors
·
Oct 29, 2024

Boundary-aware Supervoxel-level Iteratively Refined Interactive 3D Image Segmentation with Multi-agent Reinforcement Learning

Interactive segmentation has recently been explored to effectively and efficiently harvest high-quality segmentation masks by iteratively incorporating user hints. While iterative in nature, most existing interactive segmentation methods tend to ignore the dynamics of successive interactions and take each interaction independently. We here propose to model iterative interactive image segmentation with a Markov decision process (MDP) and solve it with reinforcement learning (RL) where each voxel is treated as an agent. Considering the large exploration space for voxel-wise prediction and the dependence among neighboring voxels for the segmentation tasks, multi-agent reinforcement learning is adopted, where the voxel-level policy is shared among agents. Considering that boundary voxels are more important for segmentation, we further introduce a boundary-aware reward, which consists of a global reward in the form of relative cross-entropy gain, to update the policy in a constrained direction, and a boundary reward in the form of relative weight, to emphasize the correctness of boundary predictions. To combine the advantages of different types of interactions, i.e., simple and efficient for point-clicking, and stable and robust for scribbles, we propose a supervoxel-clicking based interaction design. Experimental results on four benchmark datasets have shown that the proposed method significantly outperforms the state-of-the-arts, with the advantage of fewer interactions, higher accuracy, and enhanced robustness.

  • 7 authors
·
Mar 19, 2023

Narrator: Towards Natural Control of Human-Scene Interaction Generation via Relationship Reasoning

Naturally controllable human-scene interaction (HSI) generation has an important role in various fields, such as VR/AR content creation and human-centered AI. However, existing methods are unnatural and unintuitive in their controllability, which heavily limits their application in practice. Therefore, we focus on a challenging task of naturally and controllably generating realistic and diverse HSIs from textual descriptions. From human cognition, the ideal generative model should correctly reason about spatial relationships and interactive actions. To that end, we propose Narrator, a novel relationship reasoning-based generative approach using a conditional variation autoencoder for naturally controllable generation given a 3D scene and a textual description. Also, we model global and local spatial relationships in a 3D scene and a textual description respectively based on the scene graph, and introduce a partlevel action mechanism to represent interactions as atomic body part states. In particular, benefiting from our relationship reasoning, we further propose a simple yet effective multi-human generation strategy, which is the first exploration for controllable multi-human scene interaction generation. Our extensive experiments and perceptual studies show that Narrator can controllably generate diverse interactions and significantly outperform existing works. The code and dataset will be available for research purposes.

  • 6 authors
·
Mar 16, 2023

Synthesizing Consistent Novel Views via 3D Epipolar Attention without Re-Training

Large diffusion models demonstrate remarkable zero-shot capabilities in novel view synthesis from a single image. However, these models often face challenges in maintaining consistency across novel and reference views. A crucial factor leading to this issue is the limited utilization of contextual information from reference views. Specifically, when there is an overlap in the viewing frustum between two views, it is essential to ensure that the corresponding regions maintain consistency in both geometry and appearance. This observation leads to a simple yet effective approach, where we propose to use epipolar geometry to locate and retrieve overlapping information from the input view. This information is then incorporated into the generation of target views, eliminating the need for training or fine-tuning, as the process requires no learnable parameters. Furthermore, to enhance the overall consistency of generated views, we extend the utilization of epipolar attention to a multi-view setting, allowing retrieval of overlapping information from the input view and other target views. Qualitative and quantitative experimental results demonstrate the effectiveness of our method in significantly improving the consistency of synthesized views without the need for any fine-tuning. Moreover, This enhancement also boosts the performance of downstream applications such as 3D reconstruction. The code is available at https://github.com/botaoye/ConsisSyn.

  • 5 authors
·
Feb 25, 2025

Beyond Single-Turn: A Survey on Multi-Turn Interactions with Large Language Models

Recent advancements in large language models (LLMs) have revolutionized their ability to handle single-turn tasks, yet real-world applications demand sophisticated multi-turn interactions. This survey provides a comprehensive review of recent advancements in evaluating and enhancing multi-turn interactions in LLMs. Focusing on task-specific scenarios, from instruction following in diverse domains such as math and coding to complex conversational engagements in roleplay, healthcare, education, and even adversarial jailbreak settings, we systematically examine the challenges of maintaining context, coherence, fairness, and responsiveness over prolonged dialogues. The paper organizes current benchmarks and datasets into coherent categories that reflect the evolving landscape of multi-turn dialogue evaluation. In addition, we review a range of enhancement methodologies under multi-turn settings, including model-centric strategies (contextual learning, supervised fine-tuning, reinforcement learning, and new architectures), external integration approaches (memory-augmented, retrieval-based methods, and knowledge graph), and agent-based techniques for collaborative interactions. Finally, we discuss open challenges and propose future directions for research to further advance the robustness and effectiveness of multi-turn interactions in LLMs. Related resources and papers are available at https://github.com/yubol-cmu/Awesome-Multi-Turn-LLMs.

  • 7 authors
·
Apr 7, 2025

On the Compositional Generalization of Multimodal LLMs for Medical Imaging

Multimodal large language models (MLLMs) hold significant potential in the medical field, but their capabilities are often limited by insufficient data in certain medical domains, highlighting the need for understanding what kinds of images can be used by MLLMs for generalization. Current research suggests that multi-task training outperforms single-task as different tasks can benefit each other, but they often overlook the internal relationships within these tasks, providing limited guidance on selecting datasets to enhance specific tasks. To analyze this phenomenon, we attempted to employ compositional generalization (CG)-the ability of models to understand novel combinations by recombining learned elements-as a guiding framework. Since medical images can be precisely defined by Modality, Anatomical area, and Task, naturally providing an environment for exploring CG. Therefore, we assembled 106 medical datasets to create Med-MAT for comprehensive experiments. The experiments confirmed that MLLMs can use CG to understand unseen medical images and identified CG as one of the main drivers of the generalization observed in multi-task training. Additionally, further studies demonstrated that CG effectively supports datasets with limited data and delivers consistent performance across different backbones, highlighting its versatility and broad applicability. Med-MAT is publicly available at https://github.com/FreedomIntelligence/Med-MAT.

  • 9 authors
·
Dec 28, 2024 4

Pairing interacting protein sequences using masked language modeling

Predicting which proteins interact together from amino-acid sequences is an important task. We develop a method to pair interacting protein sequences which leverages the power of protein language models trained on multiple sequence alignments, such as MSA Transformer and the EvoFormer module of AlphaFold. We formulate the problem of pairing interacting partners among the paralogs of two protein families in a differentiable way. We introduce a method called DiffPALM that solves it by exploiting the ability of MSA Transformer to fill in masked amino acids in multiple sequence alignments using the surrounding context. MSA Transformer encodes coevolution between functionally or structurally coupled amino acids. We show that it captures inter-chain coevolution, while it was trained on single-chain data, which means that it can be used out-of-distribution. Relying on MSA Transformer without fine-tuning, DiffPALM outperforms existing coevolution-based pairing methods on difficult benchmarks of shallow multiple sequence alignments extracted from ubiquitous prokaryotic protein datasets. It also outperforms an alternative method based on a state-of-the-art protein language model trained on single sequences. Paired alignments of interacting protein sequences are a crucial ingredient of supervised deep learning methods to predict the three-dimensional structure of protein complexes. DiffPALM substantially improves the structure prediction of some eukaryotic protein complexes by AlphaFold-Multimer, without significantly deteriorating any of those we tested. It also achieves competitive performance with using orthology-based pairing.

  • 3 authors
·
Aug 14, 2023

Protein Multimer Structure Prediction via Prompt Learning

Understanding the 3D structures of protein multimers is crucial, as they play a vital role in regulating various cellular processes. It has been empirically confirmed that the multimer structure prediction~(MSP) can be well handled in a step-wise assembly fashion using provided dimer structures and predicted protein-protein interactions~(PPIs). However, due to the biological gap in the formation of dimers and larger multimers, directly applying PPI prediction techniques can often cause a poor generalization to the MSP task. To address this challenge, we aim to extend the PPI knowledge to multimers of different scales~(i.e., chain numbers). Specifically, we propose \textsc{PromptMSP}, a pre-training and Prompt tuning framework for Multimer Structure Prediction. First, we tailor the source and target tasks for effective PPI knowledge learning and efficient inference, respectively. We design PPI-inspired prompt learning to narrow the gaps of two task formats and generalize the PPI knowledge to multimers of different scales. We provide a meta-learning strategy to learn a reliable initialization of the prompt model, enabling our prompting framework to effectively adapt to limited data for large-scale multimers. Empirically, we achieve both significant accuracy (RMSD and TM-Score) and efficiency improvements compared to advanced MSP models. The code, data and checkpoints are released at https://github.com/zqgao22/PromptMSP.

  • 6 authors
·
Feb 28, 2024

Creatively Upscaling Images with Global-Regional Priors

Contemporary diffusion models show remarkable capability in text-to-image generation, while still being limited to restricted resolutions (e.g., 1,024 X 1,024). Recent advances enable tuning-free higher-resolution image generation by recycling pre-trained diffusion models and extending them via regional denoising or dilated sampling/convolutions. However, these models struggle to simultaneously preserve global semantic structure and produce creative regional details in higher-resolution images. To address this, we present C-Upscale, a new recipe of tuning-free image upscaling that pivots on global-regional priors derived from given global prompt and estimated regional prompts via Multimodal LLM. Technically, the low-frequency component of low-resolution image is recognized as global structure prior to encourage global semantic consistency in high-resolution generation. Next, we perform regional attention control to screen cross-attention between global prompt and each region during regional denoising, leading to regional attention prior that alleviates object repetition issue. The estimated regional prompts containing rich descriptive details further act as regional semantic prior to fuel the creativity of regional detail generation. Both quantitative and qualitative evaluations demonstrate that our C-Upscale manages to generate ultra-high-resolution images (e.g., 4,096 X 4,096 and 8,192 X 8,192) with higher visual fidelity and more creative regional details.

  • 5 authors
·
May 22, 2025

Living Capillary Bridges

Biological tissues exhibit complex behaviors with their dynamics often resembling inert soft matter such as liquids, polymers, colloids, and liquid crystals. These analogies enable physics-based approaches for investigations of emergent behaviors in biological processes. A well-studied case is the spreading of cellular aggregates on solid surfaces, where they display dynamics similar to viscous droplets. In vivo, however, cells and tissues are in a confined environment with varying geometries and mechanical properties to which they need to adapt. In this work, we compressed cellular aggregates between two solid surfaces and studied their dynamics using microscopy, and computer simulations. The confined cellular aggregates transitioned from compressed spheres into dynamic living capillary bridges exhibiting bridge thinning and a convex-to-concave meniscus curvature transition. We found that the stability of the bridge is determined by the interplay between cell growth and cell spreading on the confining surfaces. This interaction leads to bridge rupture at a critical length scale determined by the distance between the plates. The force distributions, formation and stability regimes of the living capillary bridges were characterized with full 3D computer simulations that included cell division, migration and growth dynamics, directly showing how mechanical principles govern the behavior of the living bridges; cellular aggregates display jamming and stiffening analogously to granular matter, and cell division along the long axis enhances thinning. Based on our results, we propose a new class of active soft matter behavior, where cellular aggregates exhibit liquid-like adaptation to confinement, but with self-organized rupturing driven by biological activity.

  • 8 authors
·
Oct 16, 2025

Limits on the accuracy of contact inhibition of locomotion

Cells that collide with each other repolarize away from contact, in a process called contact inhibition of locomotion (CIL), which is necessary for correct development of the embryo. CIL can occur even when cells make a micron-scale contact with a neighbor - much smaller than their size. How precisely can a cell sense cell-cell contact and repolarize in the correct direction? What factors control whether a cell recognizes it has contacted a neighbor? We propose a theoretical model for the limits of CIL where cells recognize the presence of another cell by binding the protein ephrin with the Eph receptor. This recognition is made difficult by the presence of interfering ligands that bind nonspecifically. Both theoretical predictions and simulation results show that it becomes more difficult to sense cell-cell contact when it is difficult to distinguish ephrin from the interfering ligands, or when there are more interfering ligands, or when the contact width decreases. However, the error of estimating contact position remains almost constant when the contact width changes. This happens because the cell gains spatial information largely from the boundaries of cell-cell contact. We study using statistical decision theory the likelihood of a false positive CIL event in the absence of cell-cell contact, and the likelihood of a false negative where CIL does not occur when another cell is present. Our results suggest that the cell is more likely to make incorrect decisions when the contact width is very small or so large that it nears the cell's perimeter. However, in general, we find that cells have the ability to make reasonably reliable CIL decisions even for very narrow (micron-scale) contacts, even if the concentration of interfering ligands is ten times that of the correct ligands.

  • 2 authors
·
Oct 31, 2023

Multimodal Image Synthesis and Editing: The Generative AI Era

As information exists in various modalities in real world, effective interaction and fusion among multimodal information plays a key role for the creation and perception of multimodal data in computer vision and deep learning research. With superb power in modeling the interaction among multimodal information, multimodal image synthesis and editing has become a hot research topic in recent years. Instead of providing explicit guidance for network training, multimodal guidance offers intuitive and flexible means for image synthesis and editing. On the other hand, this field is also facing several challenges in alignment of multimodal features, synthesis of high-resolution images, faithful evaluation metrics, etc. In this survey, we comprehensively contextualize the advance of the recent multimodal image synthesis and editing and formulate taxonomies according to data modalities and model types. We start with an introduction to different guidance modalities in image synthesis and editing, and then describe multimodal image synthesis and editing approaches extensively according to their model types. After that, we describe benchmark datasets and evaluation metrics as well as corresponding experimental results. Finally, we provide insights about the current research challenges and possible directions for future research. A project associated with this survey is available at https://github.com/fnzhan/Generative-AI.

  • 9 authors
·
Dec 27, 2021

An Item is Worth a Prompt: Versatile Image Editing with Disentangled Control

Building on the success of text-to-image diffusion models (DPMs), image editing is an important application to enable human interaction with AI-generated content. Among various editing methods, editing within the prompt space gains more attention due to its capacity and simplicity of controlling semantics. However, since diffusion models are commonly pretrained on descriptive text captions, direct editing of words in text prompts usually leads to completely different generated images, violating the requirements for image editing. On the other hand, existing editing methods usually consider introducing spatial masks to preserve the identity of unedited regions, which are usually ignored by DPMs and therefore lead to inharmonic editing results. Targeting these two challenges, in this work, we propose to disentangle the comprehensive image-prompt interaction into several item-prompt interactions, with each item linked to a special learned prompt. The resulting framework, named D-Edit, is based on pretrained diffusion models with cross-attention layers disentangled and adopts a two-step optimization to build item-prompt associations. Versatile image editing can then be applied to specific items by manipulating the corresponding prompts. We demonstrate state-of-the-art results in four types of editing operations including image-based, text-based, mask-based editing, and item removal, covering most types of editing applications, all within a single unified framework. Notably, D-Edit is the first framework that can (1) achieve item editing through mask editing and (2) combine image and text-based editing. We demonstrate the quality and versatility of the editing results for a diverse collection of images through both qualitative and quantitative evaluations.

  • 8 authors
·
Mar 7, 2024 3

Large Language Models as Biomedical Hypothesis Generators: A Comprehensive Evaluation

The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and potentially accelerate biomedical discovery. In this paper, we present a comprehensive evaluation of LLMs as biomedical hypothesis generators. We construct a dataset of background-hypothesis pairs from biomedical literature, carefully partitioned into training, seen, and unseen test sets based on publication date to mitigate data contamination. Using this dataset, we assess the hypothesis generation capabilities of top-tier instructed models in zero-shot, few-shot, and fine-tuning settings. To enhance the exploration of uncertainty, a crucial aspect of scientific discovery, we incorporate tool use and multi-agent interactions in our evaluation framework. Furthermore, we propose four novel metrics grounded in extensive literature review to evaluate the quality of generated hypotheses, considering both LLM-based and human assessments. Our experiments yield two key findings: 1) LLMs can generate novel and validated hypotheses, even when tested on literature unseen during training, and 2) Increasing uncertainty through multi-agent interactions and tool use can facilitate diverse candidate generation and improve zero-shot hypothesis generation performance. However, we also observe that the integration of additional knowledge through few-shot learning and tool use may not always lead to performance gains, highlighting the need for careful consideration of the type and scope of external knowledge incorporated. These findings underscore the potential of LLMs as powerful aids in biomedical hypothesis generation and provide valuable insights to guide further research in this area.

  • 9 authors
·
Jul 11, 2024

Unifying Molecular and Textual Representations via Multi-task Language Modelling

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the potential to optimize laboratory operations and fuel a new era of data-driven automation in scientific discovery. However, specialized models are still typically required for each task, leading to the need for problem-specific fine-tuning and neglecting task interrelations. The main obstacle in this field is the lack of a unified representation between natural language and chemical representations, complicating and limiting human-machine interaction. Here, we propose a multi-domain, multi-task language model to solve a wide range of tasks in both the chemical and natural language domains. By leveraging multi-task learning, our model can handle chemical and natural language concurrently, without requiring expensive pre-training on single domains or task-specific models. Interestingly, sharing weights across domains remarkably improves our model when benchmarked against state-of-the-art baselines on single-domain and cross-domain tasks. In particular, sharing information across domains and tasks gives rise to large improvements in cross-domain tasks, the magnitude of which increase with scale, as measured by more than a dozen of relevant metrics. Our work suggests that such models can robustly and efficiently accelerate discovery in physical sciences by superseding problem-specific fine-tuning and enhancing human-model interactions.

  • 6 authors
·
Jan 29, 2023

Tx-LLM: A Large Language Model for Therapeutics

Developing therapeutics is a lengthy and expensive process that requires the satisfaction of many different criteria, and AI models capable of expediting the process would be invaluable. However, the majority of current AI approaches address only a narrowly defined set of tasks, often circumscribed within a particular domain. To bridge this gap, we introduce Tx-LLM, a generalist large language model (LLM) fine-tuned from PaLM-2 which encodes knowledge about diverse therapeutic modalities. Tx-LLM is trained using a collection of 709 datasets that target 66 tasks spanning various stages of the drug discovery pipeline. Using a single set of weights, Tx-LLM simultaneously processes a wide variety of chemical or biological entities(small molecules, proteins, nucleic acids, cell lines, diseases) interleaved with free-text, allowing it to predict a broad range of associated properties, achieving competitive with state-of-the-art (SOTA) performance on 43 out of 66 tasks and exceeding SOTA on 22. Among these, Tx-LLM is particularly powerful and exceeds best-in-class performance on average for tasks combining molecular SMILES representations with text such as cell line names or disease names, likely due to context learned during pretraining. We observe evidence of positive transfer between tasks with diverse drug types (e.g.,tasks involving small molecules and tasks involving proteins), and we study the impact of model size, domain finetuning, and prompting strategies on performance. We believe Tx-LLM represents an important step towards LLMs encoding biochemical knowledge and could have a future role as an end-to-end tool across the drug discovery development pipeline.

  • 10 authors
·
Jun 10, 2024

Meta Flow Matching: Integrating Vector Fields on the Wasserstein Manifold

Numerous biological and physical processes can be modeled as systems of interacting entities evolving continuously over time, e.g. the dynamics of communicating cells or physical particles. Learning the dynamics of such systems is essential for predicting the temporal evolution of populations across novel samples and unseen environments. Flow-based models allow for learning these dynamics at the population level - they model the evolution of the entire distribution of samples. However, current flow-based models are limited to a single initial population and a set of predefined conditions which describe different dynamics. We argue that multiple processes in natural sciences have to be represented as vector fields on the Wasserstein manifold of probability densities. That is, the change of the population at any moment in time depends on the population itself due to the interactions between samples. In particular, this is crucial for personalized medicine where the development of diseases and their respective treatment response depends on the microenvironment of cells specific to each patient. We propose Meta Flow Matching (MFM), a practical approach to integrating along these vector fields on the Wasserstein manifold by amortizing the flow model over the initial populations. Namely, we embed the population of samples using a Graph Neural Network (GNN) and use these embeddings to train a Flow Matching model. This gives MFM the ability to generalize over the initial distributions unlike previously proposed methods. We demonstrate the ability of MFM to improve prediction of individual treatment responses on a large scale multi-patient single-cell drug screen dataset.

  • 8 authors
·
Aug 26, 2024 2

ProteinRPN: Towards Accurate Protein Function Prediction with Graph-Based Region Proposals

Protein function prediction is a crucial task in bioinformatics, with significant implications for understanding biological processes and disease mechanisms. While the relationship between sequence and function has been extensively explored, translating protein structure to function continues to present substantial challenges. Various models, particularly, CNN and graph-based deep learning approaches that integrate structural and functional data, have been proposed to address these challenges. However, these methods often fall short in elucidating the functional significance of key residues essential for protein functionality, as they predominantly adopt a retrospective perspective, leading to suboptimal performance. Inspired by region proposal networks in computer vision, we introduce the Protein Region Proposal Network (ProteinRPN) for accurate protein function prediction. Specifically, the region proposal module component of ProteinRPN identifies potential functional regions (anchors) which are refined through the hierarchy-aware node drop pooling layer favoring nodes with defined secondary structures and spatial proximity. The representations of the predicted functional nodes are enriched using attention mechanisms and subsequently fed into a Graph Multiset Transformer, which is trained with supervised contrastive (SupCon) and InfoNCE losses on perturbed protein structures. Our model demonstrates significant improvements in predicting Gene Ontology (GO) terms, effectively localizing functional residues within protein structures. The proposed framework provides a robust, scalable solution for protein function annotation, advancing the understanding of protein structure-function relationships in computational biology.

  • 3 authors
·
Sep 1, 2024

MSM-Seg: A Modality-and-Slice Memory Framework with Category-Agnostic Prompting for Multi-Modal Brain Tumor Segmentation

Multi-modal brain tumor segmentation is critical for clinical diagnosis, and it requires accurate identification of distinct internal anatomical subregions. While the recent prompt-based segmentation paradigms enable interactive experiences for clinicians, existing methods ignore cross-modal correlations and rely on labor-intensive category-specific prompts, limiting their applicability in real-world scenarios. To address these issues, we propose a MSM-Seg framework for multi-modal brain tumor segmentation. The MSM-Seg introduces a novel dual-memory segmentation paradigm that synergistically integrates multi-modal and inter-slice information with the efficient category-agnostic prompt for brain tumor understanding. To this end, we first devise a modality-and-slice memory attention (MSMA) to exploit the cross-modal and inter-slice relationships among the input scans. Then, we propose a multi-scale category-agnostic prompt encoder (MCP-Encoder) to provide tumor region guidance for decoding. Moreover, we devise a modality-adaptive fusion decoder (MF-Decoder) that leverages the complementary decoding information across different modalities to improve segmentation accuracy. Extensive experiments on different MRI datasets demonstrate that our MSM-Seg framework outperforms state-of-the-art methods in multi-modal metastases and glioma tumor segmentation. The code is available at https://github.com/xq141839/MSM-Seg.

  • 6 authors
·
Oct 12, 2025

iSegMan: Interactive Segment-and-Manipulate 3D Gaussians

The efficient rendering and explicit nature of 3DGS promote the advancement of 3D scene manipulation. However, existing methods typically encounter challenges in controlling the manipulation region and are unable to furnish the user with interactive feedback, which inevitably leads to unexpected results. Intuitively, incorporating interactive 3D segmentation tools can compensate for this deficiency. Nevertheless, existing segmentation frameworks impose a pre-processing step of scene-specific parameter training, which limits the efficiency and flexibility of scene manipulation. To deliver a 3D region control module that is well-suited for scene manipulation with reliable efficiency, we propose interactive Segment-and-Manipulate 3D Gaussians (iSegMan), an interactive segmentation and manipulation framework that only requires simple 2D user interactions in any view. To propagate user interactions to other views, we propose Epipolar-guided Interaction Propagation (EIP), which innovatively exploits epipolar constraint for efficient and robust interaction matching. To avoid scene-specific training to maintain efficiency, we further propose the novel Visibility-based Gaussian Voting (VGV), which obtains 2D segmentations from SAM and models the region extraction as a voting game between 2D Pixels and 3D Gaussians based on Gaussian visibility. Taking advantage of the efficient and precise region control of EIP and VGV, we put forth a Manipulation Toolbox to implement various functions on selected regions, enhancing the controllability, flexibility and practicality of scene manipulation. Extensive results on 3D scene manipulation and segmentation tasks fully demonstrate the significant advantages of iSegMan. Project page is available at https://zhao-yian.github.io/iSegMan.

  • 6 authors
·
May 17, 2025

LLM-EDT: Large Language Model Enhanced Cross-domain Sequential Recommendation with Dual-phase Training

Cross-domain Sequential Recommendation (CDSR) has been proposed to enrich user-item interactions by incorporating information from various domains. Despite current progress, the imbalance issue and transition issue hinder further development of CDSR. The former one presents a phenomenon that the interactions in one domain dominate the entire behavior, leading to difficulty in capturing the domain-specific features in the other domain. The latter points to the difficulty in capturing users' cross-domain preferences within the mixed interaction sequence, resulting in poor next-item prediction performance for specific domains. With world knowledge and powerful reasoning ability, Large Language Models (LLMs) partially alleviate the above issues by performing as a generator and an encoder. However, current LLMs-enhanced CDSR methods are still under exploration, which fail to recognize the irrelevant noise and rough profiling problems. Thus, to make peace with the aforementioned challenges, we proposed an LLMs Enhanced Cross-domain Sequential Recommendation with Dual-phase Training ({LLM-EDT}). To address the imbalance issue while introducing less irrelevant noise, we first propose the transferable item augmenter to adaptively generate possible cross-domain behaviors for users. Then, to alleviate the transition issue, we introduce a dual-phase training strategy to empower the domain-specific thread with a domain-shared background. As for the rough profiling problem, we devise a domain-aware profiling module to summarize the user's preference in each domain and adaptively aggregate them to generate comprehensive user profiles. The experiments on three public datasets validate the effectiveness of our proposed LLM-EDT. To ease reproducibility, we have released the detailed code online at {https://anonymous.4open.science/r/LLM-EDT-583F}.

  • 9 authors
·
Nov 25, 2025

InterRVOS: Interaction-aware Referring Video Object Segmentation

Referring video object segmentation aims to segment the object in a video corresponding to a given natural language expression. While prior works have explored various referring scenarios, including motion-centric or multi-instance expressions, most approaches still focus on localizing a single target object in isolation. However, in comprehensive video understanding, an object's role is often defined by its interactions with other entities, which are largely overlooked in existing datasets and models. In this work, we introduce Interaction-aware referring video object sgementation (InterRVOS), a new task that requires segmenting both actor and target entities involved in an interaction. Each interactoin is described through a pair of complementary expressions from different semantic perspectives, enabling fine-grained modeling of inter-object relationships. To tackle this task, we propose InterRVOS-8K, the large-scale and automatically constructed dataset containing diverse interaction-aware expressions with corresponding masks, including challenging cases such as motion-only multi-instance expressions. We also present a baseline architecture, ReVIOSa, designed to handle actor-target segmentation from a single expression, achieving strong performance in both standard and interaction-focused settings. Furthermore, we introduce an actor-target-aware evalaution setting that enables a more targeted assessment of interaction understanding. Experimental results demonstrate that our approach outperforms prior methods in modeling complex object interactions for referring video object segmentation task, establishing a strong foundation for future research in interaction-centric video understanding. Our project page is available at https://cvlab-kaist.github.io/InterRVOS.

  • 3 authors
·
Jun 2, 2025

Reconstructing Interacting Hands with Interaction Prior from Monocular Images

Reconstructing interacting hands from monocular images is indispensable in AR/VR applications. Most existing solutions rely on the accurate localization of each skeleton joint. However, these methods tend to be unreliable due to the severe occlusion and confusing similarity among adjacent hand parts. This also defies human perception because humans can quickly imitate an interaction pattern without localizing all joints. Our key idea is to first construct a two-hand interaction prior and recast the interaction reconstruction task as the conditional sampling from the prior. To expand more interaction states, a large-scale multimodal dataset with physical plausibility is proposed. Then a VAE is trained to further condense these interaction patterns as latent codes in a prior distribution. When looking for image cues that contribute to interaction prior sampling, we propose the interaction adjacency heatmap (IAH). Compared with a joint-wise heatmap for localization, IAH assigns denser visible features to those invisible joints. Compared with an all-in-one visible heatmap, it provides more fine-grained local interaction information in each interaction region. Finally, the correlations between the extracted features and corresponding interaction codes are linked by the ViT module. Comprehensive evaluations on benchmark datasets have verified the effectiveness of this framework. The code and dataset are publicly available at https://github.com/binghui-z/InterPrior_pytorch

  • 6 authors
·
Aug 27, 2023

The Impact of Large Language Models on Scientific Discovery: a Preliminary Study using GPT-4

In recent years, groundbreaking advancements in natural language processing have culminated in the emergence of powerful large language models (LLMs), which have showcased remarkable capabilities across a vast array of domains, including the understanding, generation, and translation of natural language, and even tasks that extend beyond language processing. In this report, we delve into the performance of LLMs within the context of scientific discovery, focusing on GPT-4, the state-of-the-art language model. Our investigation spans a diverse range of scientific areas encompassing drug discovery, biology, computational chemistry (density functional theory (DFT) and molecular dynamics (MD)), materials design, and partial differential equations (PDE). Evaluating GPT-4 on scientific tasks is crucial for uncovering its potential across various research domains, validating its domain-specific expertise, accelerating scientific progress, optimizing resource allocation, guiding future model development, and fostering interdisciplinary research. Our exploration methodology primarily consists of expert-driven case assessments, which offer qualitative insights into the model's comprehension of intricate scientific concepts and relationships, and occasionally benchmark testing, which quantitatively evaluates the model's capacity to solve well-defined domain-specific problems. Our preliminary exploration indicates that GPT-4 exhibits promising potential for a variety of scientific applications, demonstrating its aptitude for handling complex problem-solving and knowledge integration tasks. Broadly speaking, we evaluate GPT-4's knowledge base, scientific understanding, scientific numerical calculation abilities, and various scientific prediction capabilities.

  • 2 authors
·
Nov 13, 2023

Du-IN: Discrete units-guided mask modeling for decoding speech from Intracranial Neural signals

Invasive brain-computer interfaces have garnered significant attention due to their high performance. The current intracranial stereoElectroEncephaloGraphy (sEEG) foundation models typically build univariate representations based on a single channel. Some of them further use Transformer to model the relationship among channels. However, due to the locality and specificity of brain computation, their performance on more difficult tasks, e.g., speech decoding, which demands intricate processing in specific brain regions, is yet to be fully investigated. We hypothesize that building multi-variate representations within certain brain regions can better capture the specific neural processing. To explore this hypothesis, we collect a well-annotated Chinese word-reading sEEG dataset, targeting language-related brain networks, over 12 subjects. Leveraging this benchmark dataset, we developed the Du-IN model that can extract contextual embeddings from specific brain regions through discrete codebook-guided mask modeling. Our model achieves SOTA performance on the downstream 61-word classification task, surpassing all baseline models. Model comparison and ablation analysis reveal that our design choices, including (i) multi-variate representation by fusing channels in vSMC and STG regions and (ii) self-supervision by discrete codebook-guided mask modeling, significantly contribute to these performances. Collectively, our approach, inspired by neuroscience findings, capitalizing on multi-variate neural representation from specific brain regions, is suitable for invasive brain modeling. It marks a promising neuro-inspired AI approach in BCI.

  • 9 authors
·
May 19, 2024

Re-mine, Learn and Reason: Exploring the Cross-modal Semantic Correlations for Language-guided HOI detection

Human-Object Interaction (HOI) detection is a challenging computer vision task that requires visual models to address the complex interactive relationship between humans and objects and predict HOI triplets. Despite the challenges posed by the numerous interaction combinations, they also offer opportunities for multimodal learning of visual texts. In this paper, we present a systematic and unified framework (RmLR) that enhances HOI detection by incorporating structured text knowledge. Firstly, we qualitatively and quantitatively analyze the loss of interaction information in the two-stage HOI detector and propose a re-mining strategy to generate more comprehensive visual representation.Secondly, we design more fine-grained sentence- and word-level alignment and knowledge transfer strategies to effectively address the many-to-many matching problem between multiple interactions and multiple texts.These strategies alleviate the matching confusion problem that arises when multiple interactions occur simultaneously, thereby improving the effectiveness of the alignment process. Finally, HOI reasoning by visual features augmented with textual knowledge substantially improves the understanding of interactions. Experimental results illustrate the effectiveness of our approach, where state-of-the-art performance is achieved on public benchmarks. We further analyze the effects of different components of our approach to provide insights into its efficacy.

  • 7 authors
·
Jul 25, 2023

Interpretable Bilingual Multimodal Large Language Model for Diverse Biomedical Tasks

Several medical Multimodal Large Languange Models (MLLMs) have been developed to address tasks involving visual images with textual instructions across various medical modalities, achieving impressive results. Most current medical generalist models are region-agnostic, treating the entire image as a holistic representation. However, they struggle to identify which specific regions they are focusing on when generating a sentence. To mimic the behavior of doctors, who typically begin by reviewing the entire image before concentrating on specific regions for a thorough evaluation, we aim to enhance the capability of medical MLLMs in understanding anatomical regions within entire medical scans. To achieve it, we first formulate Region-Centric tasks and construct a large-scale dataset, MedRegInstruct, to incorporate regional information into training. Combining our collected dataset with other medical multimodal corpora for training, we propose a Region-Aware medical MLLM, MedRegA, which is the first bilingual generalist medical AI system to simultaneously handle image-level and region-level medical vision-language tasks across a broad range of modalities. Our MedRegA not only enables three region-centric tasks, but also achieves the best performance for visual question answering, report generation and medical image classification over 8 modalities, showcasing significant versatility. Experiments demonstrate that our model can not only accomplish powerful performance across various medical vision-language tasks in bilingual settings, but also recognize and detect structures in multimodal medical scans, boosting the interpretability and user interactivity of medical MLLMs. Our project page is https://medrega.github.io.

  • 7 authors
·
Oct 23, 2024