DiffusionPDE: Generative PDE-Solving Under Partial Observation

We introduce a general framework for solving partial differential equations (PDEs) using generative diffusion models. In particular, we focus on the scenarios where we do not have the full knowledge of the scene necessary to apply classical solvers. Most existing forward or inverse PDE approaches perform poorly when the observations on the data or the underlying coefficients are incomplete, which is a common assumption for real-world measurements. In this work, we propose DiffusionPDE that can simultaneously fill in the missing information and solve a PDE by modeling the joint distribution of the solution and coefficient spaces. We show that the learned generative priors lead to a versatile framework for accurately solving a wide range of PDEs under partial observation, significantly outperforming the state-of-the-art methods for both forward and inverse directions.

GraphStorm: all-in-one graph machine learning framework for industry applications

Graph machine learning (GML) is effective in many business applications. However, making GML easy to use and applicable to industry applications with massive datasets remain challenging. We developed GraphStorm, which provides an end-to-end solution for scalable graph construction, graph model training and inference. GraphStorm has the following desirable properties: (a) Easy to use: it can perform graph construction and model training and inference with just a single command; (b) Expert-friendly: GraphStorm contains many advanced GML modeling techniques to handle complex graph data and improve model performance; (c) Scalable: every component in GraphStorm can operate on graphs with billions of nodes and can scale model training and inference to different hardware without changing any code. GraphStorm has been used and deployed for over a dozen billion-scale industry applications after its release in May 2023. It is open-sourced in Github: https://github.com/awslabs/graphstorm.

A Simple Approach to Differentiable Rendering of SDFs

We present a simple algorithm for differentiable rendering of surfaces represented by Signed Distance Fields (SDF), which makes it easy to integrate rendering into gradient-based optimization pipelines. To tackle visibility-related derivatives that make rendering non-differentiable, existing physically based differentiable rendering methods often rely on elaborate guiding data structures or reparameterization with a global impact on variance. In this article, we investigate an alternative that embraces nonzero bias in exchange for low variance and architectural simplicity. Our method expands the lower-dimensional boundary integral into a thin band that is easy to sample when the underlying surface is represented by an SDF. We demonstrate the performance and robustness of our formulation in end-to-end inverse rendering tasks, where it obtains results that are competitive with or superior to existing work.

UMG-CLIP: A Unified Multi-Granularity Vision Generalist for Open-World Understanding

Vision-language foundation models, represented by Contrastive language-image pre-training (CLIP), have gained increasing attention for jointly understanding both vision and textual tasks. However, existing approaches primarily focus on training models to match global image representations with textual descriptions, thereby overlooking the critical alignment between local regions and corresponding text tokens. This paper extends CLIP with multi-granularity alignment. Notably, we deliberately construct a new dataset comprising pseudo annotations at various levels of granularities, encompassing image-level, region-level, and pixel-level captions/tags. Accordingly, we develop a unified multi-granularity learning framework, named UMG-CLIP, that simultaneously empowers the model with versatile perception abilities across different levels of detail. Equipped with parameter efficient tuning, UMG-CLIP surpasses current widely used CLIP models and achieves state-of-the-art performance on diverse image understanding benchmarks, including open-world recognition, retrieval, semantic segmentation, and panoptic segmentation tasks. We hope UMG-CLIP can serve as a valuable option for advancing vision-language foundation models.

Fine-Grained Prototypes Distillation for Few-Shot Object Detection

Few-shot object detection (FSOD) aims at extending a generic detector for novel object detection with only a few training examples. It attracts great concerns recently due to the practical meanings. Meta-learning has been demonstrated to be an effective paradigm for this task. In general, methods based on meta-learning employ an additional support branch to encode novel examples (a.k.a. support images) into class prototypes, which are then fused with query branch to facilitate the model prediction. However, the class-level prototypes are difficult to precisely generate, and they also lack detailed information, leading to instability in performance.New methods are required to capture the distinctive local context for more robust novel object detection. To this end, we propose to distill the most representative support features into fine-grained prototypes. These prototypes are then assigned into query feature maps based on the matching results, modeling the detailed feature relations between two branches. This process is realized by our Fine-Grained Feature Aggregation (FFA) module. Moreover, in terms of high-level feature fusion, we propose Balanced Class-Agnostic Sampling (B-CAS) strategy and Non-Linear Fusion (NLF) module from differenct perspectives. They are complementary to each other and depict the high-level feature relations more effectively. Extensive experiments on PASCAL VOC and MS COCO benchmarks show that our method sets a new state-of-the-art performance in most settings. Our code is available at https://github.com/wangchen1801/FPD.

Accurate Differential Operators for Hybrid Neural Fields

Neural fields have become widely used in various fields, from shape representation to neural rendering, and for solving partial differential equations (PDEs). With the advent of hybrid neural field representations like Instant NGP that leverage small MLPs and explicit representations, these models train quickly and can fit large scenes. Yet in many applications like rendering and simulation, hybrid neural fields can cause noticeable and unreasonable artifacts. This is because they do not yield accurate spatial derivatives needed for these downstream applications. In this work, we propose two ways to circumvent these challenges. Our first approach is a post hoc operator that uses local polynomial-fitting to obtain more accurate derivatives from pre-trained hybrid neural fields. Additionally, we also propose a self-supervised fine-tuning approach that refines the neural field to yield accurate derivatives directly while preserving the initial signal. We show the application of our method on rendering, collision simulation, and solving PDEs. We observe that using our approach yields more accurate derivatives, reducing artifacts and leading to more accurate simulations in downstream applications.

Pure Exploration in Asynchronous Federated Bandits

We study the federated pure exploration problem of multi-armed bandits and linear bandits, where $M$ agents cooperatively identify the best arm via communicating with the central server. To enhance the robustness against latency and unavailability of agents that are common in practice, we propose the first federated asynchronous multi-armed bandit and linear bandit algorithms for pure exploration with fixed confidence. Our theoretical analysis shows the proposed algorithms achieve near-optimal sample complexities and efficient communication costs in a fully asynchronous environment. Moreover, experimental results based on synthetic and real-world data empirically elucidate the effectiveness and communication cost-efficiency of the proposed algorithms.

BioBridge: Bridging Biomedical Foundation Models via Knowledge Graph

Foundation models (FMs) are able to leverage large volumes of unlabeled data to demonstrate superior performance across a wide range of tasks. However, FMs developed for biomedical domains have largely remained unimodal, i.e., independently trained and used for tasks on protein sequences alone, small molecule structures alone, or clinical data alone. To overcome this limitation of biomedical FMs, we present BioBridge, a novel parameter-efficient learning framework, to bridge independently trained unimodal FMs to establish multimodal behavior. BioBridge achieves it by utilizing Knowledge Graphs (KG) to learn transformations between one unimodal FM and another without fine-tuning any underlying unimodal FMs. Our empirical results demonstrate that BioBridge can beat the best baseline KG embedding methods (on average by around 76.3%) in cross-modal retrieval tasks. We also identify BioBridge demonstrates out-of-domain generalization ability by extrapolating to unseen modalities or relations. Additionally, we also show that BioBridge presents itself as a general purpose retriever that can aid biomedical multimodal question answering as well as enhance the guided generation of novel drugs.

Integration of Graph Neural Network and Neural-ODEs for Tumor Dynamic Prediction

In anti-cancer drug development, a major scientific challenge is disentangling the complex relationships between high-dimensional genomics data from patient tumor samples, the corresponding tumor's organ of origin, the drug targets associated with given treatments and the resulting treatment response. Furthermore, to realize the aspirations of precision medicine in identifying and adjusting treatments for patients depending on the therapeutic response, there is a need for building tumor dynamic models that can integrate both longitudinal tumor size as well as multimodal, high-content data. In this work, we take a step towards enhancing personalized tumor dynamic predictions by proposing a heterogeneous graph encoder that utilizes a bipartite Graph Convolutional Neural network (GCN) combined with Neural Ordinary Differential Equations (Neural-ODEs). We applied the methodology to a large collection of patient-derived xenograft (PDX) data, spanning a wide variety of treatments (as well as their combinations) on tumors that originated from a number of different organs. We first show that the methodology is able to discover a tumor dynamic model that significantly improves upon an empirical model which is in current use. Additionally, we show that the graph encoder is able to effectively utilize multimodal data to enhance tumor predictions. Our findings indicate that the methodology holds significant promise and offers potential applications in pre-clinical settings.

Graph Neural Prompting with Large Language Models

Large Language Models (LLMs) have shown remarkable generalization capability with exceptional performance in various language modeling tasks. However, they still exhibit inherent limitations in precisely capturing and returning grounded knowledge. While existing work has explored utilizing knowledge graphs to enhance language modeling via joint training and customized model architectures, applying this to LLMs is problematic owing to their large number of parameters and high computational cost. In addition, how to leverage the pre-trained LLMs and avoid training a customized model from scratch remains an open question. In this work, we propose Graph Neural Prompting (GNP), a novel plug-and-play method to assist pre-trained LLMs in learning beneficial knowledge from KGs. GNP encompasses various designs, including a standard graph neural network encoder, a cross-modality pooling module, a domain projector, and a self-supervised link prediction objective. Extensive experiments on multiple datasets demonstrate the superiority of GNP on both commonsense and biomedical reasoning tasks across different LLM sizes and settings.