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Deep generative models for graph-structured data offer a new angle on the problem of chemical synthesis: by optimizing differentiable models that directly generate molecular graphs, it is possible to side-step expensive search procedures in…
Generic matrix multiplication (GEMM) and one-dimensional convolution/cross-correlation (CONV) kernels often constitute the bulk of the compute- and memory-intensive processing within image/audio recognition and matching systems. We propose…
Polygon meshes are an efficient representation of 3D geometry, and are of central importance in computer graphics, robotics and games development. Existing learning-based approaches have avoided the challenges of working with 3D meshes,…
Masked Diffusion Models (MDMs) enable flexible decoding orders, yet existing samplers remain largely greedy, selecting locally certain tokens without accounting for their downstream effects. We show that this myopia can increase cumulative…
Attacking Neural Machine Translation models is an inherently combinatorial task on discrete sequences, solved with approximate heuristics. Most methods use the gradient to attack the model on each sample independently. Instead of…
Matrix multiplication (GEMM) is a core operation to numerous scientific applications. Traditional implementations of Strassen-like fast matrix multiplication (FMM) algorithms often do not perform well except for very large matrix sizes, due…
Modern generative models achieve excellent quality in a variety of tasks including image or text generation and chemical molecule modeling. However, existing methods often lack the essential ability to generate examples with requested…
Recent breakthroughs in Large-scale language models (LLMs) have demonstrated impressive performance on various tasks. The immense sizes of LLMs have led to very high resource demand and cost for running the models. Though the models are…
Semantic segmentation of microscopy images is a critical task for high-throughput materials characterisation, yet its automation is severely constrained by the prohibitive cost, subjectivity, and scarcity of expert-annotated data. While…
Segmenting an image into its parts is a frequent preprocess for high-level vision tasks such as image editing. However, annotating masks for supervised training is expensive. Weakly-supervised and unsupervised methods exist, but they depend…
Prompt learning has achieved great success in efficiently exploiting large-scale pre-trained models in natural language processing (NLP). It reformulates the downstream tasks as the generative pre-training ones to achieve consistency, thus…
The generic matrix multiply (GEMM) function is the core element of high-performance linear algebra libraries used in many computationally-demanding digital signal processing (DSP) systems. We propose an acceleration technique for GEMM based…
In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…
We introduce factorize sum split product networks (FSPNs), a new class of probabilistic graphical models (PGMs). FSPNs are designed to overcome the drawbacks of existing PGMs in terms of estimation accuracy and inference efficiency.…
Masked image modeling (MIM) with transformer backbones has recently been exploited as a powerful self-supervised pre-training technique. The existing MIM methods adopt the strategy to mask random patches of the image and reconstruct the…
Distributed model fitting refers to the process of fitting a mathematical or statistical model to the data using distributed computing resources, such that computing tasks are divided among multiple interconnected computers or nodes, often…
This paper presents a novel meta algorithm, Partition-Merge (PM), which takes existing centralized algorithms for graph computation and makes them distributed and faster. In a nutshell, PM divides the graph into small subgraphs using our…
With the recent advances in machine learning for quantum chemistry, it is now possible to predict the chemical properties of compounds and to generate novel molecules. Existing generative models mostly use a string- or graph-based…
Understanding protein sequences is vital and urgent for biology, healthcare, and medicine. Labeling approaches are expensive yet time-consuming, while the amount of unlabeled data is increasing quite faster than that of the labeled data due…
In this study, we introduce Generative Manufacturing Systems (GMS) as a novel approach to effectively manage and coordinate autonomous manufacturing assets, thereby enhancing their responsiveness and flexibility to address a wide array of…