martin renqiang min Archives | NEC Labs America

Attribute-Centric Compositional Text-to-Image Generation

March 13, 2025/in Publications/by NEC Labs America

Despite the recent impressive breakthroughs in text-to-image generation, generative models have difficulty in capturing thedata distribution of underrepresented attribute compositions while over-memorizing overrepresented attribute compositions,which raises public concerns about their robustness and fairness. To tackle this challenge, we propose ACTIG, an attributecentriccompositional text-to-image generation framework. We present an attribute-centric feature augmentation and a novelimage-free training scheme, which greatly improves models ability to generate images with underrepresented attributes.Wefurther propose an attribute-centric contrastive loss to avoid overfitting to overrepresented attribute compositions.We validateour framework on the CelebA-HQ and CUB datasets. Extensive experiments show that the compositional generalization ofACTIG is outstanding, and our framework outperforms previous works in terms of image quality and text-image consistency

Learning Disentangled Equivariant Representation for Explicitly Controllable 3D Molecule Generation

March 4, 2025/in Publications/by NEC Labs America

We consider the conditional generation of 3D drug-like molecules with explicit control over molecular properties such as drug-like properties (e.g., Quantitative Estimate of Druglikenessor Synthetic Accessibility score) and effectively binding to specific protein sites. To tackle this problem, we propose an E(3)-equivariant Wasserstein autoencoder and factorize thelatent space of our generative model into two disentangled aspects: molecular properties and the remaining structural context of 3D molecules. Our model ensures explicit control over these molecular attributes while maintaining equivariance of coordinate representation and invariance of data likelihood. Furthermore, we introduce a novel alignment-based coordinate loss to adapt equivariant networks for auto-regressive denovo 3D molecule generation from scratch. Extensive experiments validate our models effectiveness on property-guidedand context-guided molecule generation, both for de-novo 3D molecule design and structure-based drug discovery against protein targets.

NEC Labs America Attends the 39th Annual AAAI Conference on Artificial Intelligence #AAAI25

February 27, 2025/in Events/by NEC Labs America

Our NEC Lab America team attended the Thirty-Ninth AAAI Conference on Artificial Intelligence (AAAI-25), in Philadelphia, Pennsylvania at the Pennsylvania Convention Center from February 25 to March 4, 2025. The purpose of the AAAI conference series was to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. Our team presented technical papers, led special tracks, delivered talks on key topics, participated in workshops, conducted tutorials, and showcased research in poster sessions. The team greeted visitors at Booth #208 and was there Thursday through Saturday.

Reducing Hallucinations of Medical Multimodal Large Language Models with Visual Retrieval-Augmented Generation

February 25, 2025/in Publications/by NEC Labs America

Multimodal Large Language Models (MLLMs) have shown impressive performance in vision and text tasks. However, hallucination remains a major challenge, especially in fields like healthcare where details are critical. In this work, we show how MLLMs may be enhanced to support Visual RAG (V-RAG), a retrieval-augmented generation framework that incorporates both text and visual data from retrieved images. On the MIMIC-CXR chest X-ray report generation and Multicare medical image caption generation datasets, we show that Visual RAG improves the accuracy of entity probing, which asks whether a medical entities is grounded by an image. We show that the improvements extend both to frequent and rare entities, the latter of which may have less positive training data. Downstream, we apply V-RAG with entity probing to correct hallucinations and generate more clinically accurate X-ray reports, obtaining a higher RadGraph-F1 score.

Discrete-Continuous Variational Optimization with Local Gradients

December 15, 2024/in Publications/by NEC Labs America

Variational optimization (VO) offers a general approach for handling objectives which may involve discontinuities, or whose gradients are difficult to calculate. By introducing a variational distribution over the parameter space, such objectives are smoothed, and rendered amenable to VO methods. Local gradient information, though, may be available in certain problems, which is neglected by such an approach. We therefore consider a general method for incorporating local information via an augmented VO objective function to accelerate convergence and improve accuracy. We show how our augmented objective can be viewed as an instance of multilevel optimization. Finally, we show our method can train a genetic algorithm simulator, using a recursive Wasserstein distance objective

Understanding Transcriptional Regulatory Redundancy by Learnable Global Subset Perturbations

December 5, 2024/in Publications/by NEC Labs America

Transcriptional regulation through cis-regulatory elements (CREs) is crucial for numerous biological functions, with its disruption potentially leading to various diseases. It is well-known that these CREs often exhibit redundancy, allowing them to compensate for each other in response to external disturbances, highlighting the need for methods to identify CRE sets that collaboratively regulate gene expression effectively. To address this, we introduce GRIDS, an in silico computational method that approaches the task as a global feature explanation challenge to dissect combinatorial CRE effects in two phases. First, GRIDS constructs a differentiable surrogate function to mirror the complex gene regulatory process, facilitating cross-translations in single-cell modalities. It then employs learnable perturbations within a state transition framework to offer global explanations, efficiently navigating the combinatorial feature landscape. Through comprehensive bench marks, GRIDS demonstrates superior explanatory capabilities compared to other leading methods. Moreover, GRIDS s global explanations reveal intricate regulatory redundancy across cell types and states, underscoring its potential to advance our understanding ofcellular regulation in biological research.

Variational methods for Learning Multilevel Genetic Algorithms using the Kantorovich Monad

November 15, 2024/in Publications/by NEC Labs America

Levels of selection and multilevel evolutionary processes are essential concepts in evolutionary theory, and yet there is a lack of common mathematical models for these core ideas. Here, we propose a unified mathematical framework for formulating and optimizing multilevel evolutionary processes and genetic algorithms over arbitrarily many levels based on concepts from category theory and population genetics. We formulate a multilevel version of the Wright-Fisher process using this approach, and we show that this model can be analyzed to clarify key features of multilevel selection. Particularly, we derive an extended multilevel probabilistic version of Price’s Equation via the Kantorovich Monad, and we use this to characterize regimes of parameter space within which selection acts antagonistically or cooperatively across levels. Finally, we show how our framework can provide a unified setting for learning genetic algorithms (GAs), and we show how we can use a Variational Optimization and a multi-level analogue of coalescent analysis to fit multilevel GAs to simulated data.

Exploring the Role of Reasoning Structures for Constructing Proofs in Multi-Step Natural Language Reasoning with Large Language Models

November 12, 2024/in Publications/by NEC Labs America

When performing complex multi-step reasoning tasks, the ability of Large Language Models (LLMs) to derive structured intermediate proof steps is important for ensuring that the models truly perform the desired reasoning and for improving models’ explainability. This paper is centered around a focused study: whether the current state-of-the-art generalist LLMs can leverage the structures in a few examples to better construct the proof structures with in-context learning. Our study specifically focuses on structure-aware demonstration and structure-aware pruning. We demonstrate that they both help improve performance. A detailed analysis is provided to help understand the results.

Learning to Localize Actions in Instructional Videos with LLM-Based Multi-Pathway Text-Video Alignment

September 29, 2024/in Publications/by NEC Labs America

Learning to localize temporal boundaries of procedure steps in instructional videos is challenging due to the limited availability of annotated large-scale training videos. Recent works focus on learning the cross-modal alignment between video segments and ASR-transcripted narration texts through contrastive learning. However, these methods fail to account for the alignment noise, i.e., irrelevant narrations to the instructional task in videos and unreliable timestamps in narrations. To address these challenges, this work proposes a novel training framework. Motivated by the strong capabilities of Large Language Models (LLMs) in procedure understanding and text summarization, we first apply an LLM to filter out task-irrelevant information and summarize task-related procedure steps (LLM-steps) from narrations. To further generate reliable pseudo-matching between the LLM-steps and the video for training, we propose the Multi-Pathway Text-Video Alignment (MPTVA) strategy. The key idea is to measure alignment between LLM-steps and videos via multiple pathways, including: (1) step-narration-video alignment using narration timestamps, (2) direct step-to-video alignment based on their long-term semantic similarity, and (3) direct step-to-video alignment focusing on short-term fine-grained semantic similarity learned from general video domains. The results from different pathways are fused to generate reliable pseudo step-video matching. We conducted extensive experiments across various tasks and problem settings to evaluate our proposed method. Our approach surpasses state-of-the-art methods in three downstream tasks: procedure step grounding, step localization, and narration grounding by 5.9%, 3.1%, and 2.8%.

Predicting Spatially Resolved Gene Expression via Tissue Morphology using Adaptive Spatial GNNs (ECCB)

September 16, 2024/in Publications/by NEC Labs America

Spatial transcriptomics technologies, which generate a spatial map of gene activity, can deepen the understanding of tissue architecture and its molecular underpinnings in health and disease. However, the high cost makes these technologies difficult to use in practice. Histological images co-registered with targeted tissues are more affordable and routinely generated in many research and clinical studies. Hence, predicting spatial gene expression from the morphological clues embedded in tissue histological images provides a scalable alternative approach to decoding tissue complexity.