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Jan 9

Model Rubik's Cube: Twisting Resolution, Depth and Width for TinyNets

To obtain excellent deep neural architectures, a series of techniques are carefully designed in EfficientNets. The giant formula for simultaneously enlarging the resolution, depth and width provides us a Rubik's cube for neural networks. So that we can find networks with high efficiency and excellent performance by twisting the three dimensions. This paper aims to explore the twisting rules for obtaining deep neural networks with minimum model sizes and computational costs. Different from the network enlarging, we observe that resolution and depth are more important than width for tiny networks. Therefore, the original method, i.e., the compound scaling in EfficientNet is no longer suitable. To this end, we summarize a tiny formula for downsizing neural architectures through a series of smaller models derived from the EfficientNet-B0 with the FLOPs constraint. Experimental results on the ImageNet benchmark illustrate that our TinyNet performs much better than the smaller version of EfficientNets using the inversed giant formula. For instance, our TinyNet-E achieves a 59.9% Top-1 accuracy with only 24M FLOPs, which is about 1.9% higher than that of the previous best MobileNetV3 with similar computational cost. Code will be available at https://github.com/huawei-noah/ghostnet/tree/master/tinynet_pytorch, and https://gitee.com/mindspore/mindspore/tree/master/model_zoo/research/cv/tinynet.

  • 6 authors
·
Oct 28, 2020

Fast and Accurate Model Scaling

In this work we analyze strategies for convolutional neural network scaling; that is, the process of scaling a base convolutional network to endow it with greater computational complexity and consequently representational power. Example scaling strategies may include increasing model width, depth, resolution, etc. While various scaling strategies exist, their tradeoffs are not fully understood. Existing analysis typically focuses on the interplay of accuracy and flops (floating point operations). Yet, as we demonstrate, various scaling strategies affect model parameters, activations, and consequently actual runtime quite differently. In our experiments we show the surprising result that numerous scaling strategies yield networks with similar accuracy but with widely varying properties. This leads us to propose a simple fast compound scaling strategy that encourages primarily scaling model width, while scaling depth and resolution to a lesser extent. Unlike currently popular scaling strategies, which result in about O(s) increase in model activation w.r.t. scaling flops by a factor of s, the proposed fast compound scaling results in close to O(s) increase in activations, while achieving excellent accuracy. This leads to comparable speedups on modern memory-limited hardware (e.g., GPU, TPU). More generally, we hope this work provides a framework for analyzing and selecting scaling strategies under various computational constraints.

  • 3 authors
·
Mar 11, 2021 1

DepNeCTI: Dependency-based Nested Compound Type Identification for Sanskrit

Multi-component compounding is a prevalent phenomenon in Sanskrit, and understanding the implicit structure of a compound's components is crucial for deciphering its meaning. Earlier approaches in Sanskrit have focused on binary compounds and neglected the multi-component compound setting. This work introduces the novel task of nested compound type identification (NeCTI), which aims to identify nested spans of a multi-component compound and decode the implicit semantic relations between them. To the best of our knowledge, this is the first attempt in the field of lexical semantics to propose this task. We present 2 newly annotated datasets including an out-of-domain dataset for this task. We also benchmark these datasets by exploring the efficacy of the standard problem formulations such as nested named entity recognition, constituency parsing and seq2seq, etc. We present a novel framework named DepNeCTI: Dependency-based Nested Compound Type Identifier that surpasses the performance of the best baseline with an average absolute improvement of 13.1 points F1-score in terms of Labeled Span Score (LSS) and a 5-fold enhancement in inference efficiency. In line with the previous findings in the binary Sanskrit compound identification task, context provides benefits for the NeCTI task. The codebase and datasets are publicly available at: https://github.com/yaswanth-iitkgp/DepNeCTI

  • 7 authors
·
Oct 14, 2023

Boosting Resolution Generalization of Diffusion Transformers with Randomized Positional Encodings

Resolution generalization in image generation tasks enables the production of higher-resolution images with lower training resolution overhead. However, a significant challenge in resolution generalization, particularly in the widely used Diffusion Transformers, lies in the mismatch between the positional encodings encountered during testing and those used during training. While existing methods have employed techniques such as interpolation, extrapolation, or their combinations, none have fully resolved this issue. In this paper, we propose a novel two-dimensional randomized positional encodings (RPE-2D) framework that focuses on learning positional order of image patches instead of the specific distances between them, enabling seamless high- and low-resolution image generation without requiring high- and low-resolution image training. Specifically, RPE-2D independently selects positions over a broader range along both the horizontal and vertical axes, ensuring that all position encodings are trained during the inference phase, thus improving resolution generalization. Additionally, we propose a random data augmentation technique to enhance the modeling of position order. To address the issue of image cropping caused by the augmentation, we introduce corresponding micro-conditioning to enable the model to perceive the specific cropping patterns. On the ImageNet dataset, our proposed RPE-2D achieves state-of-the-art resolution generalization performance, outperforming existing competitive methods when trained at a resolution of 256 times 256 and inferred at 384 times 384 and 512 times 512, as well as when scaling from 512 times 512 to 768 times 768 and 1024 times 1024. And it also exhibits outstanding capabilities in low-resolution image generation, multi-stage training acceleration and multi-resolution inheritance.

  • 7 authors
·
Mar 24, 2025

InternLM-XComposer2-4KHD: A Pioneering Large Vision-Language Model Handling Resolutions from 336 Pixels to 4K HD

The Large Vision-Language Model (LVLM) field has seen significant advancements, yet its progression has been hindered by challenges in comprehending fine-grained visual content due to limited resolution. Recent efforts have aimed to enhance the high-resolution understanding capabilities of LVLMs, yet they remain capped at approximately 1500 x 1500 pixels and constrained to a relatively narrow resolution range. This paper represents InternLM-XComposer2-4KHD, a groundbreaking exploration into elevating LVLM resolution capabilities up to 4K HD (3840 x 1600) and beyond. Concurrently, considering the ultra-high resolution may not be necessary in all scenarios, it supports a wide range of diverse resolutions from 336 pixels to 4K standard, significantly broadening its scope of applicability. Specifically, this research advances the patch division paradigm by introducing a novel extension: dynamic resolution with automatic patch configuration. It maintains the training image aspect ratios while automatically varying patch counts and configuring layouts based on a pre-trained Vision Transformer (ViT) (336 x 336), leading to dynamic training resolution from 336 pixels to 4K standard. Our research demonstrates that scaling training resolution up to 4K HD leads to consistent performance enhancements without hitting the ceiling of potential improvements. InternLM-XComposer2-4KHD shows superb capability that matches or even surpasses GPT-4V and Gemini Pro in 10 of the 16 benchmarks. The InternLM-XComposer2-4KHD model series with 7B parameters are publicly available at https://github.com/InternLM/InternLM-XComposer.

  • 24 authors
·
Apr 9, 2024 1

ImagePairs: Realistic Super Resolution Dataset via Beam Splitter Camera Rig

Super Resolution is the problem of recovering a high-resolution image from a single or multiple low-resolution images of the same scene. It is an ill-posed problem since high frequency visual details of the scene are completely lost in low-resolution images. To overcome this, many machine learning approaches have been proposed aiming at training a model to recover the lost details in the new scenes. Such approaches include the recent successful effort in utilizing deep learning techniques to solve super resolution problem. As proven, data itself plays a significant role in the machine learning process especially deep learning approaches which are data hungry. Therefore, to solve the problem, the process of gathering data and its formation could be equally as vital as the machine learning technique used. Herein, we are proposing a new data acquisition technique for gathering real image data set which could be used as an input for super resolution, noise cancellation and quality enhancement techniques. We use a beam-splitter to capture the same scene by a low resolution camera and a high resolution camera. Since we also release the raw images, this large-scale dataset could be used for other tasks such as ISP generation. Unlike current small-scale dataset used for these tasks, our proposed dataset includes 11,421 pairs of low-resolution high-resolution images of diverse scenes. To our knowledge this is the most complete dataset for super resolution, ISP and image quality enhancement. The benchmarking result shows how the new dataset can be successfully used to significantly improve the quality of real-world image super resolution.

  • 8 authors
·
Apr 17, 2020

CompoundPiece: Evaluating and Improving Decompounding Performance of Language Models

While many languages possess processes of joining two or more words to create compound words, previous studies have been typically limited only to languages with excessively productive compound formation (e.g., German, Dutch) and there is no public dataset containing compound and non-compound words across a large number of languages. In this work, we systematically study decompounding, the task of splitting compound words into their constituents, at a wide scale. We first address the data gap by introducing a dataset of 255k compound and non-compound words across 56 diverse languages obtained from Wiktionary. We then use this dataset to evaluate an array of Large Language Models (LLMs) on the decompounding task. We find that LLMs perform poorly, especially on words which are tokenized unfavorably by subword tokenization. We thus introduce a novel methodology to train dedicated models for decompounding. The proposed two-stage procedure relies on a fully self-supervised objective in the first stage, while the second, supervised learning stage optionally fine-tunes the model on the annotated Wiktionary data. Our self-supervised models outperform the prior best unsupervised decompounding models by 13.9% accuracy on average. Our fine-tuned models outperform all prior (language-specific) decompounding tools. Furthermore, we use our models to leverage decompounding during the creation of a subword tokenizer, which we refer to as CompoundPiece. CompoundPiece tokenizes compound words more favorably on average, leading to improved performance on decompounding over an otherwise equivalent model using SentencePiece tokenization.

  • 3 authors
·
May 23, 2023

ResAdapter: Domain Consistent Resolution Adapter for Diffusion Models

Recent advancement in text-to-image models (e.g., Stable Diffusion) and corresponding personalized technologies (e.g., DreamBooth and LoRA) enables individuals to generate high-quality and imaginative images. However, they often suffer from limitations when generating images with resolutions outside of their trained domain. To overcome this limitation, we present the Resolution Adapter (ResAdapter), a domain-consistent adapter designed for diffusion models to generate images with unrestricted resolutions and aspect ratios. Unlike other multi-resolution generation methods that process images of static resolution with complex post-process operations, ResAdapter directly generates images with the dynamical resolution. Especially, after learning a deep understanding of pure resolution priors, ResAdapter trained on the general dataset, generates resolution-free images with personalized diffusion models while preserving their original style domain. Comprehensive experiments demonstrate that ResAdapter with only 0.5M can process images with flexible resolutions for arbitrary diffusion models. More extended experiments demonstrate that ResAdapter is compatible with other modules (e.g., ControlNet, IP-Adapter and LCM-LoRA) for image generation across a broad range of resolutions, and can be integrated into other multi-resolution model (e.g., ElasticDiffusion) for efficiently generating higher-resolution images. Project link is https://res-adapter.github.io

  • 10 authors
·
Mar 4, 2024 1

Lightweight Image Super-Resolution with Information Multi-distillation Network

In recent years, single image super-resolution (SISR) methods using deep convolution neural network (CNN) have achieved impressive results. Thanks to the powerful representation capabilities of the deep networks, numerous previous ways can learn the complex non-linear mapping between low-resolution (LR) image patches and their high-resolution (HR) versions. However, excessive convolutions will limit the application of super-resolution technology in low computing power devices. Besides, super-resolution of any arbitrary scale factor is a critical issue in practical applications, which has not been well solved in the previous approaches. To address these issues, we propose a lightweight information multi-distillation network (IMDN) by constructing the cascaded information multi-distillation blocks (IMDB), which contains distillation and selective fusion parts. Specifically, the distillation module extracts hierarchical features step-by-step, and fusion module aggregates them according to the importance of candidate features, which is evaluated by the proposed contrast-aware channel attention mechanism. To process real images with any sizes, we develop an adaptive cropping strategy (ACS) to super-resolve block-wise image patches using the same well-trained model. Extensive experiments suggest that the proposed method performs favorably against the state-of-the-art SR algorithms in term of visual quality, memory footprint, and inference time. Code is available at https://github.com/Zheng222/IMDN.

  • 4 authors
·
Sep 25, 2019

Towards Explainable Anticancer Compound Sensitivity Prediction via Multimodal Attention-based Convolutional Encoders

In line with recent advances in neural drug design and sensitivity prediction, we propose a novel architecture for interpretable prediction of anticancer compound sensitivity using a multimodal attention-based convolutional encoder. Our model is based on the three key pillars of drug sensitivity: compounds' structure in the form of a SMILES sequence, gene expression profiles of tumors and prior knowledge on intracellular interactions from protein-protein interaction networks. We demonstrate that our multiscale convolutional attention-based (MCA) encoder significantly outperforms a baseline model trained on Morgan fingerprints, a selection of encoders based on SMILES as well as previously reported state of the art for multimodal drug sensitivity prediction (R2 = 0.86 and RMSE = 0.89). Moreover, the explainability of our approach is demonstrated by a thorough analysis of the attention weights. We show that the attended genes significantly enrich apoptotic processes and that the drug attention is strongly correlated with a standard chemical structure similarity index. Finally, we report a case study of two receptor tyrosine kinase (RTK) inhibitors acting on a leukemia cell line, showcasing the ability of the model to focus on informative genes and submolecular regions of the two compounds. The demonstrated generalizability and the interpretability of our model testify its potential for in-silico prediction of anticancer compound efficacy on unseen cancer cells, positioning it as a valid solution for the development of personalized therapies as well as for the evaluation of candidate compounds in de novo drug design.

  • 6 authors
·
Apr 25, 2019

Effective Invertible Arbitrary Image Rescaling

Great successes have been achieved using deep learning techniques for image super-resolution (SR) with fixed scales. To increase its real world applicability, numerous models have also been proposed to restore SR images with arbitrary scale factors, including asymmetric ones where images are resized to different scales along horizontal and vertical directions. Though most models are only optimized for the unidirectional upscaling task while assuming a predefined downscaling kernel for low-resolution (LR) inputs, recent models based on Invertible Neural Networks (INN) are able to increase upscaling accuracy significantly by optimizing the downscaling and upscaling cycle jointly. However, limited by the INN architecture, it is constrained to fixed integer scale factors and requires one model for each scale. Without increasing model complexity, a simple and effective invertible arbitrary rescaling network (IARN) is proposed to achieve arbitrary image rescaling by training only one model in this work. Using innovative components like position-aware scale encoding and preemptive channel splitting, the network is optimized to convert the non-invertible rescaling cycle to an effectively invertible process. It is shown to achieve a state-of-the-art (SOTA) performance in bidirectional arbitrary rescaling without compromising perceptual quality in LR outputs. It is also demonstrated to perform well on tests with asymmetric scales using the same network architecture.

  • 5 authors
·
Sep 26, 2022

Toward Advancing License Plate Super-Resolution in Real-World Scenarios: A Dataset and Benchmark

Recent advancements in super-resolution for License Plate Recognition (LPR) have sought to address challenges posed by low-resolution (LR) and degraded images in surveillance, traffic monitoring, and forensic applications. However, existing studies have relied on private datasets and simplistic degradation models. To address this gap, we introduce UFPR-SR-Plates, a novel dataset containing 10,000 tracks with 100,000 paired low and high-resolution license plate images captured under real-world conditions. We establish a benchmark using multiple sequential LR and high-resolution (HR) images per vehicle -- five of each -- and two state-of-the-art models for super-resolution of license plates. We also investigate three fusion strategies to evaluate how combining predictions from a leading Optical Character Recognition (OCR) model for multiple super-resolved license plates enhances overall performance. Our findings demonstrate that super-resolution significantly boosts LPR performance, with further improvements observed when applying majority vote-based fusion techniques. Specifically, the Layout-Aware and Character-Driven Network (LCDNet) model combined with the Majority Vote by Character Position (MVCP) strategy led to the highest recognition rates, increasing from 1.7% with low-resolution images to 31.1% with super-resolution, and up to 44.7% when combining OCR outputs from five super-resolved images. These findings underscore the critical role of super-resolution and temporal information in enhancing LPR accuracy under real-world, adverse conditions. The proposed dataset is publicly available to support further research and can be accessed at: https://valfride.github.io/nascimento2024toward/

  • 6 authors
·
May 9, 2025

Beyond Chemical QA: Evaluating LLM's Chemical Reasoning with Modular Chemical Operations

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug design and reaction engineering, remains untapped. Current benchmarks focus on simple knowledge retrieval, neglecting step-by-step reasoning required for complex tasks such as molecular optimization and reaction prediction. To address this, we introduce ChemCoTBench, a reasoning framework that bridges molecular structure understanding with arithmetic-inspired operations, including addition, deletion, and substitution, to formalize chemical problem-solving into transparent, step-by-step workflows. By treating molecular transformations as modular "chemical operations", the framework enables slow-thinking reasoning, mirroring the logic of mathematical proofs while grounding solutions in real-world chemical constraints. We evaluate models on two high-impact tasks: Molecular Property Optimization and Chemical Reaction Prediction. These tasks mirror real-world challenges while providing structured evaluability. By providing annotated datasets, a reasoning taxonomy, and baseline evaluations, ChemCoTBench bridges the gap between abstract reasoning methods and practical chemical discovery, establishing a foundation for advancing LLMs as tools for AI-driven scientific innovation.

  • 9 authors
·
May 27, 2025

Frame-Recurrent Video Super-Resolution

Recent advances in video super-resolution have shown that convolutional neural networks combined with motion compensation are able to merge information from multiple low-resolution (LR) frames to generate high-quality images. Current state-of-the-art methods process a batch of LR frames to generate a single high-resolution (HR) frame and run this scheme in a sliding window fashion over the entire video, effectively treating the problem as a large number of separate multi-frame super-resolution tasks. This approach has two main weaknesses: 1) Each input frame is processed and warped multiple times, increasing the computational cost, and 2) each output frame is estimated independently conditioned on the input frames, limiting the system's ability to produce temporally consistent results. In this work, we propose an end-to-end trainable frame-recurrent video super-resolution framework that uses the previously inferred HR estimate to super-resolve the subsequent frame. This naturally encourages temporally consistent results and reduces the computational cost by warping only one image in each step. Furthermore, due to its recurrent nature, the proposed method has the ability to assimilate a large number of previous frames without increased computational demands. Extensive evaluations and comparisons with previous methods validate the strengths of our approach and demonstrate that the proposed framework is able to significantly outperform the current state of the art.

  • 3 authors
·
Jan 14, 2018

Human Vision Constrained Super-Resolution

Modern deep-learning super-resolution (SR) techniques process images and videos independently of the underlying content and viewing conditions. However, the sensitivity of the human visual system (HVS) to image details changes depending on the underlying image characteristics, such as spatial frequency, luminance, color, contrast, or motion; as well viewing condition aspects such as ambient lighting and distance to the display. This observation suggests that computational resources spent on up-sampling images/videos may be wasted whenever a viewer cannot resolve the synthesized details i.e the resolution of details exceeds the resolving capability of human vision. Motivated by this observation, we propose a human vision inspired and architecture-agnostic approach for controlling SR techniques to deliver visually optimal results while limiting computational complexity. Its core is an explicit Human Visual Processing Framework (HVPF) that dynamically and locally guides SR methods according to human sensitivity to specific image details and viewing conditions. We demonstrate the application of our framework in combination with network branching to improve the computational efficiency of SR methods. Quantitative and qualitative evaluations, including user studies, demonstrate the effectiveness of our approach in reducing FLOPS by factors of 2times and greater, without sacrificing perceived quality.

Arbitrary-Scale Image Generation and Upsampling using Latent Diffusion Model and Implicit Neural Decoder

Super-resolution (SR) and image generation are important tasks in computer vision and are widely adopted in real-world applications. Most existing methods, however, generate images only at fixed-scale magnification and suffer from over-smoothing and artifacts. Additionally, they do not offer enough diversity of output images nor image consistency at different scales. Most relevant work applied Implicit Neural Representation (INR) to the denoising diffusion model to obtain continuous-resolution yet diverse and high-quality SR results. Since this model operates in the image space, the larger the resolution of image is produced, the more memory and inference time is required, and it also does not maintain scale-specific consistency. We propose a novel pipeline that can super-resolve an input image or generate from a random noise a novel image at arbitrary scales. The method consists of a pretrained auto-encoder, a latent diffusion model, and an implicit neural decoder, and their learning strategies. The proposed method adopts diffusion processes in a latent space, thus efficient, yet aligned with output image space decoded by MLPs at arbitrary scales. More specifically, our arbitrary-scale decoder is designed by the symmetric decoder w/o up-scaling from the pretrained auto-encoder, and Local Implicit Image Function (LIIF) in series. The latent diffusion process is learnt by the denoising and the alignment losses jointly. Errors in output images are backpropagated via the fixed decoder, improving the quality of output images. In the extensive experiments using multiple public benchmarks on the two tasks i.e. image super-resolution and novel image generation at arbitrary scales, the proposed method outperforms relevant methods in metrics of image quality, diversity and scale consistency. It is significantly better than the relevant prior-art in the inference speed and memory usage.

  • 2 authors
·
Mar 15, 2024

DDoS-UNet: Incorporating temporal information using Dynamic Dual-channel UNet for enhancing super-resolution of dynamic MRI

Magnetic resonance imaging (MRI) provides high spatial resolution and excellent soft-tissue contrast without using harmful ionising radiation. Dynamic MRI is an essential tool for interventions to visualise movements or changes of the target organ. However, such MRI acquisition with high temporal resolution suffers from limited spatial resolution - also known as the spatio-temporal trade-off of dynamic MRI. Several approaches, including deep learning based super-resolution approaches, have been proposed to mitigate this trade-off. Nevertheless, such an approach typically aims to super-resolve each time-point separately, treating them as individual volumes. This research addresses the problem by creating a deep learning model which attempts to learn both spatial and temporal relationships. A modified 3D UNet model, DDoS-UNet, is proposed - which takes the low-resolution volume of the current time-point along with a prior image volume. Initially, the network is supplied with a static high-resolution planning scan as the prior image along with the low-resolution input to super-resolve the first time-point. Then it continues step-wise by using the super-resolved time-points as the prior image while super-resolving the subsequent time-points. The model performance was tested with 3D dynamic data that was undersampled to different in-plane levels. The proposed network achieved an average SSIM value of 0.951pm0.017 while reconstructing the lowest resolution data (i.e. only 4\% of the k-space acquired) - which could result in a theoretical acceleration factor of 25. The proposed approach can be used to reduce the required scan-time while achieving high spatial resolution.

  • 5 authors
·
Feb 10, 2022

InternVL3.5: Advancing Open-Source Multimodal Models in Versatility, Reasoning, and Efficiency

We introduce InternVL 3.5, a new family of open-source multimodal models that significantly advances versatility, reasoning capability, and inference efficiency along the InternVL series. A key innovation is the Cascade Reinforcement Learning (Cascade RL) framework, which enhances reasoning through a two-stage process: offline RL for stable convergence and online RL for refined alignment. This coarse-to-fine training strategy leads to substantial improvements on downstream reasoning tasks, e.g., MMMU and MathVista. To optimize efficiency, we propose a Visual Resolution Router (ViR) that dynamically adjusts the resolution of visual tokens without compromising performance. Coupled with ViR, our Decoupled Vision-Language Deployment (DvD) strategy separates the vision encoder and language model across different GPUs, effectively balancing computational load. These contributions collectively enable InternVL3.5 to achieve up to a +16.0\% gain in overall reasoning performance and a 4.05times inference speedup compared to its predecessor, i.e., InternVL3. In addition, InternVL3.5 supports novel capabilities such as GUI interaction and embodied agency. Notably, our largest model, i.e., InternVL3.5-241B-A28B, attains state-of-the-art results among open-source MLLMs across general multimodal, reasoning, text, and agentic tasks -- narrowing the performance gap with leading commercial models like GPT-5. All models and code are publicly released.

  • 61 authors
·
Aug 25, 2025 10

Conditional Graph Information Bottleneck for Molecular Relational Learning

Molecular relational learning, whose goal is to learn the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. Recently, graph neural networks have recently shown great success in molecular relational learning by modeling a molecule as a graph structure, and considering atom-level interactions between two molecules. Despite their success, existing molecular relational learning methods tend to overlook the nature of chemistry, i.e., a chemical compound is composed of multiple substructures such as functional groups that cause distinctive chemical reactions. In this work, we propose a novel relational learning framework, called CGIB, that predicts the interaction behavior between a pair of graphs by detecting core subgraphs therein. The main idea is, given a pair of graphs, to find a subgraph from a graph that contains the minimal sufficient information regarding the task at hand conditioned on the paired graph based on the principle of conditional graph information bottleneck. We argue that our proposed method mimics the nature of chemical reactions, i.e., the core substructure of a molecule varies depending on which other molecule it interacts with. Extensive experiments on various tasks with real-world datasets demonstrate the superiority of CGIB over state-of-the-art baselines. Our code is available at https://github.com/Namkyeong/CGIB.

  • 6 authors
·
Apr 28, 2023

3D-MolT5: Towards Unified 3D Molecule-Text Modeling with 3D Molecular Tokenization

The integration of molecule and language has garnered increasing attention in molecular science. Recent advancements in Language Models (LMs) have demonstrated potential for the comprehensive modeling of molecule and language. However, existing works exhibit notable limitations. Most existing works overlook the modeling of 3D information, which is crucial for understanding molecular structures and also functions. While some attempts have been made to leverage external structure encoding modules to inject the 3D molecular information into LMs, there exist obvious difficulties that hinder the integration of molecular structure and language text, such as modality alignment and separate tuning. To bridge this gap, we propose 3D-MolT5, a unified framework designed to model both 1D molecular sequence and 3D molecular structure. The key innovation lies in our methodology for mapping fine-grained 3D substructure representations (based on 3D molecular fingerprints) to a specialized 3D token vocabulary for 3D-MolT5. This 3D structure token vocabulary enables the seamless combination of 1D sequence and 3D structure representations in a tokenized format, allowing 3D-MolT5 to encode molecular sequence (SELFIES), molecular structure, and text sequences within a unified architecture. Alongside, we further introduce 1D and 3D joint pre-training to enhance the model's comprehension of these diverse modalities in a joint representation space and better generalize to various tasks for our foundation model. Through instruction tuning on multiple downstream datasets, our proposed 3D-MolT5 shows superior performance than existing methods in molecular property prediction, molecule captioning, and text-based molecule generation tasks. Our code will be available on GitHub soon.

  • 5 authors
·
Jun 9, 2024

Consistency Trajectory Matching for One-Step Generative Super-Resolution

Current diffusion-based super-resolution (SR) approaches achieve commendable performance at the cost of high inference overhead. Therefore, distillation techniques are utilized to accelerate the multi-step teacher model into one-step student model. Nevertheless, these methods significantly raise training costs and constrain the performance of the student model by the teacher model. To overcome these tough challenges, we propose Consistency Trajectory Matching for Super-Resolution (CTMSR), a distillation-free strategy that is able to generate photo-realistic SR results in one step. Concretely, we first formulate a Probability Flow Ordinary Differential Equation (PF-ODE) trajectory to establish a deterministic mapping from low-resolution (LR) images with noise to high-resolution (HR) images. Then we apply the Consistency Training (CT) strategy to directly learn the mapping in one step, eliminating the necessity of pre-trained diffusion model. To further enhance the performance and better leverage the ground-truth during the training process, we aim to align the distribution of SR results more closely with that of the natural images. To this end, we propose to minimize the discrepancy between their respective PF-ODE trajectories from the LR image distribution by our meticulously designed Distribution Trajectory Matching (DTM) loss, resulting in improved realism of our recovered HR images. Comprehensive experimental results demonstrate that the proposed methods can attain comparable or even superior capabilities on both synthetic and real datasets while maintaining minimal inference latency.

  • 6 authors
·
Mar 26, 2025

M^{3}-20M: A Large-Scale Multi-Modal Molecule Dataset for AI-driven Drug Design and Discovery

This paper introduces M^{3}-20M, a large-scale Multi-Modal Molecular dataset that contains over 20 million molecules. Designed to support AI-driven drug design and discovery, M^{3}-20M is 71 times more in the number of molecules than the largest existing dataset, providing an unprecedented scale that can highly benefit training or fine-tuning large (language) models with superior performance for drug design and discovery. This dataset integrates one-dimensional SMILES, two-dimensional molecular graphs, three-dimensional molecular structures, physicochemical properties, and textual descriptions collected through web crawling and generated by using GPT-3.5, offering a comprehensive view of each molecule. To demonstrate the power of M^{3}-20M in drug design and discovery, we conduct extensive experiments on two key tasks: molecule generation and molecular property prediction, using large language models including GLM4, GPT-3.5, and GPT-4. Our experimental results show that M^{3}-20M can significantly boost model performance in both tasks. Specifically, it enables the models to generate more diverse and valid molecular structures and achieve higher property prediction accuracy than the existing single-modal datasets, which validates the value and potential of M^{3}-20M in supporting AI-driven drug design and discovery. The dataset is available at https://github.com/bz99bz/M-3.

  • 9 authors
·
Dec 7, 2024

NMR-Solver: Automated Structure Elucidation via Large-Scale Spectral Matching and Physics-Guided Fragment Optimization

Nuclear Magnetic Resonance (NMR) spectroscopy is one of the most powerful and widely used tools for molecular structure elucidation in organic chemistry. However, the interpretation of NMR spectra to determine unknown molecular structures remains a labor-intensive and expertise-dependent process, particularly for complex or novel compounds. Although recent methods have been proposed for molecular structure elucidation, they often underperform in real-world applications due to inherent algorithmic limitations and limited high-quality data. Here, we present NMR-Solver, a practical and interpretable framework for the automated determination of small organic molecule structures from ^1H and ^{13}C NMR spectra. Our method introduces an automated framework for molecular structure elucidation, integrating large-scale spectral matching with physics-guided fragment-based optimization that exploits atomic-level structure-spectrum relationships in NMR. We evaluate NMR-Solver on simulated benchmarks, curated experimental data from the literature, and real-world experiments, demonstrating its strong generalization, robustness, and practical utility in challenging, real-life scenarios. NMR-Solver unifies computational NMR analysis, deep learning, and interpretable chemical reasoning into a coherent system. By incorporating the physical principles of NMR into molecular optimization, it enables scalable, automated, and chemically meaningful molecular identification, establishing a generalizable paradigm for solving inverse problems in molecular science.

  • 9 authors
·
Aug 30, 2025

NoiseShift: Resolution-Aware Noise Recalibration for Better Low-Resolution Image Generation

Text-to-image diffusion models trained on a fixed set of resolutions often fail to generalize, even when asked to generate images at lower resolutions than those seen during training. High-resolution text-to-image generators are currently unable to easily offer an out-of-the-box budget-efficient alternative to their users who might not need high-resolution images. We identify a key technical insight in diffusion models that when addressed can help tackle this limitation: Noise schedulers have unequal perceptual effects across resolutions. The same level of noise removes disproportionately more signal from lower-resolution images than from high-resolution images, leading to a train-test mismatch. We propose NoiseShift, a training-free method that recalibrates the noise level of the denoiser conditioned on resolution size. NoiseShift requires no changes to model architecture or sampling schedule and is compatible with existing models. When applied to Stable Diffusion 3, Stable Diffusion 3.5, and Flux-Dev, quality at low resolutions is significantly improved. On LAION-COCO, NoiseShift improves SD3.5 by 15.89%, SD3 by 8.56%, and Flux-Dev by 2.44% in FID on average. On CelebA, NoiseShift improves SD3.5 by 10.36%, SD3 by 5.19%, and Flux-Dev by 3.02% in FID on average. These results demonstrate the effectiveness of NoiseShift in mitigating resolution-dependent artifacts and enhancing the quality of low-resolution image generation.

  • 4 authors
·
Oct 2, 2025

Real-Time Single Image and Video Super-Resolution Using an Efficient Sub-Pixel Convolutional Neural Network

Recently, several models based on deep neural networks have achieved great success in terms of both reconstruction accuracy and computational performance for single image super-resolution. In these methods, the low resolution (LR) input image is upscaled to the high resolution (HR) space using a single filter, commonly bicubic interpolation, before reconstruction. This means that the super-resolution (SR) operation is performed in HR space. We demonstrate that this is sub-optimal and adds computational complexity. In this paper, we present the first convolutional neural network (CNN) capable of real-time SR of 1080p videos on a single K2 GPU. To achieve this, we propose a novel CNN architecture where the feature maps are extracted in the LR space. In addition, we introduce an efficient sub-pixel convolution layer which learns an array of upscaling filters to upscale the final LR feature maps into the HR output. By doing so, we effectively replace the handcrafted bicubic filter in the SR pipeline with more complex upscaling filters specifically trained for each feature map, whilst also reducing the computational complexity of the overall SR operation. We evaluate the proposed approach using images and videos from publicly available datasets and show that it performs significantly better (+0.15dB on Images and +0.39dB on Videos) and is an order of magnitude faster than previous CNN-based methods.

  • 8 authors
·
Sep 16, 2016

MRI Super-Resolution with Deep Learning: A Comprehensive Survey

High-resolution (HR) magnetic resonance imaging (MRI) is crucial for many clinical and research applications. However, achieving it remains costly and constrained by technical trade-offs and experimental limitations. Super-resolution (SR) presents a promising computational approach to overcome these challenges by generating HR images from more affordable low-resolution (LR) scans, potentially improving diagnostic accuracy and efficiency without requiring additional hardware. This survey reviews recent advances in MRI SR techniques, with a focus on deep learning (DL) approaches. It examines DL-based MRI SR methods from the perspectives of computer vision, computational imaging, inverse problems, and MR physics, covering theoretical foundations, architectural designs, learning strategies, benchmark datasets, and performance metrics. We propose a systematic taxonomy to categorize these methods and present an in-depth study of both established and emerging SR techniques applicable to MRI, considering unique challenges in clinical and research contexts. We also highlight open challenges and directions that the community needs to address. Additionally, we provide a collection of essential open-access resources, tools, and tutorials, available on our GitHub: https://github.com/mkhateri/Awesome-MRI-Super-Resolution. IEEE keywords: MRI, Super-Resolution, Deep Learning, Computational Imaging, Inverse Problem, Survey.

Harvard Harvard University
·
Nov 20, 2025 2

DiffuseHigh: Training-free Progressive High-Resolution Image Synthesis through Structure Guidance

Recent surge in large-scale generative models has spurred the development of vast fields in computer vision. In particular, text-to-image diffusion models have garnered widespread adoption across diverse domain due to their potential for high-fidelity image generation. Nonetheless, existing large-scale diffusion models are confined to generate images of up to 1K resolution, which is far from meeting the demands of contemporary commercial applications. Directly sampling higher-resolution images often yields results marred by artifacts such as object repetition and distorted shapes. Addressing the aforementioned issues typically necessitates training or fine-tuning models on higher resolution datasets. However, this undertaking poses a formidable challenge due to the difficulty in collecting large-scale high-resolution contents and substantial computational resources. While several preceding works have proposed alternatives, they often fail to produce convincing results. In this work, we probe the generative ability of diffusion models at higher resolution beyond its original capability and propose a novel progressive approach that fully utilizes generated low-resolution image to guide the generation of higher resolution image. Our method obviates the need for additional training or fine-tuning which significantly lowers the burden of computational costs. Extensive experiments and results validate the efficiency and efficacy of our method. Project page: https://yhyun225.github.io/DiffuseHigh/

  • 4 authors
·
Jun 26, 2024

A Unified Model for Compressed Sensing MRI Across Undersampling Patterns

Compressed Sensing MRI reconstructs images of the body's internal anatomy from undersampled measurements, thereby reducing scan time. Recently, deep learning has shown great potential for reconstructing high-fidelity images from highly undersampled measurements. However, one needs to train multiple models for different undersampling patterns and desired output image resolutions, since most networks operate on a fixed discretization. Such approaches are highly impractical in clinical settings, where undersampling patterns and image resolutions are frequently changed to accommodate different real-time imaging and diagnostic requirements. We propose a unified MRI reconstruction model robust to various measurement undersampling patterns and image resolutions. Our approach uses neural operators, a discretization-agnostic architecture applied in both image and measurement spaces, to capture local and global features. Empirically, our model improves SSIM by 11% and PSNR by 4 dB over a state-of-the-art CNN (End-to-End VarNet), with 600times faster inference than diffusion methods. The resolution-agnostic design also enables zero-shot super-resolution and extended field-of-view reconstruction, offering a versatile and efficient solution for clinical MR imaging. Our unified model offers a versatile solution for MRI, adapting seamlessly to various measurement undersampling and imaging resolutions, making it highly effective for flexible and reliable clinical imaging. Our code is available at https://armeet.ca/nomri.

  • 7 authors
·
Oct 5, 2024 1

Enhanced Generative Structure Prior for Chinese Text Image Super-resolution

Faithful text image super-resolution (SR) is challenging because each character has a unique structure and usually exhibits diverse font styles and layouts. While existing methods primarily focus on English text, less attention has been paid to more complex scripts like Chinese. In this paper, we introduce a high-quality text image SR framework designed to restore the precise strokes of low-resolution (LR) Chinese characters. Unlike methods that rely on character recognition priors to regularize the SR task, we propose a novel structure prior that offers structure-level guidance to enhance visual quality. Our framework incorporates this structure prior within a StyleGAN model, leveraging its generative capabilities for restoration. To maintain the integrity of character structures while accommodating various font styles and layouts, we implement a codebook-based mechanism that restricts the generative space of StyleGAN. Each code in the codebook represents the structure of a specific character, while the vector w in StyleGAN controls the character's style, including typeface, orientation, and location. Through the collaborative interaction between the codebook and style, we generate a high-resolution structure prior that aligns with LR characters both spatially and structurally. Experiments demonstrate that this structure prior provides robust, character-specific guidance, enabling the accurate restoration of clear strokes in degraded characters, even for real-world LR Chinese text with irregular layouts. Our code and pre-trained models will be available at https://github.com/csxmli2016/MARCONetPlusPlus

  • 3 authors
·
Aug 10, 2025