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SubscribeA Cartesian Encoding Graph Neural Network for Crystal Structures Property Prediction: Application to Thermal Ellipsoid Estimation
In diffraction-based crystal structure analysis, thermal ellipsoids, quantified via Anisotropic Displacement Parameters (ADPs), are critical yet challenging to determine. ADPs capture atomic vibrations, reflecting thermal and structural properties, but traditional computation is often expensive. This paper introduces CartNet, a novel graph neural network (GNN) for efficiently predicting crystal properties by encoding atomic geometry into Cartesian coordinates alongside the crystal temperature. CartNet integrates a neighbour equalization technique to emphasize covalent and contact interactions, and a Cholesky-based head to ensure valid ADP predictions. We also propose a rotational SO(3) data augmentation strategy during training to handle unseen orientations. An ADP dataset with over 200,000 experimental crystal structures from the Cambridge Structural Database (CSD) was curated to validate the approach. CartNet significantly reduces computational costs and outperforms existing methods in ADP prediction by 10.87%, while delivering a 34.77% improvement over theoretical approaches. We further evaluated CartNet on other datasets covering formation energy, band gap, total energy, energy above the convex hull, bulk moduli, and shear moduli, achieving 7.71% better results on the Jarvis Dataset and 13.16% on the Materials Project Dataset. These gains establish CartNet as a state-of-the-art solution for diverse crystal property predictions. Project website and online demo: https://www.ee.ub.edu/cartnet
Feature Pyramid Encoding Network for Real-time Semantic Segmentation
Although current deep learning methods have achieved impressive results for semantic segmentation, they incur high computational costs and have a huge number of parameters. For real-time applications, inference speed and memory usage are two important factors. To address the challenge, we propose a lightweight feature pyramid encoding network (FPENet) to make a good trade-off between accuracy and speed. Specifically, we use a feature pyramid encoding block to encode multi-scale contextual features with depthwise dilated convolutions in all stages of the encoder. A mutual embedding upsample module is introduced in the decoder to aggregate the high-level semantic features and low-level spatial details efficiently. The proposed network outperforms existing real-time methods with fewer parameters and improved inference speed on the Cityscapes and CamVid benchmark datasets. Specifically, FPENet achieves 68.0\% mean IoU on the Cityscapes test set with only 0.4M parameters and 102 FPS speed on an NVIDIA TITAN V GPU.
Neural Field Classifiers via Target Encoding and Classification Loss
Neural field methods have seen great progress in various long-standing tasks in computer vision and computer graphics, including novel view synthesis and geometry reconstruction. As existing neural field methods try to predict some coordinate-based continuous target values, such as RGB for Neural Radiance Field (NeRF), all of these methods are regression models and are optimized by some regression loss. However, are regression models really better than classification models for neural field methods? In this work, we try to visit this very fundamental but overlooked question for neural fields from a machine learning perspective. We successfully propose a novel Neural Field Classifier (NFC) framework which formulates existing neural field methods as classification tasks rather than regression tasks. The proposed NFC can easily transform arbitrary Neural Field Regressor (NFR) into its classification variant via employing a novel Target Encoding module and optimizing a classification loss. By encoding a continuous regression target into a high-dimensional discrete encoding, we naturally formulate a multi-label classification task. Extensive experiments demonstrate the impressive effectiveness of NFC at the nearly free extra computational costs. Moreover, NFC also shows robustness to sparse inputs, corrupted images, and dynamic scenes.
REEF: Representation Encoding Fingerprints for Large Language Models
Protecting the intellectual property of open-source Large Language Models (LLMs) is very important, because training LLMs costs extensive computational resources and data. Therefore, model owners and third parties need to identify whether a suspect model is a subsequent development of the victim model. To this end, we propose a training-free REEF to identify the relationship between the suspect and victim models from the perspective of LLMs' feature representations. Specifically, REEF computes and compares the centered kernel alignment similarity between the representations of a suspect model and a victim model on the same samples. This training-free REEF does not impair the model's general capabilities and is robust to sequential fine-tuning, pruning, model merging, and permutations. In this way, REEF provides a simple and effective way for third parties and models' owners to protect LLMs' intellectual property together. The code is available at https://github.com/tmylla/REEF.
IGEV++: Iterative Multi-range Geometry Encoding Volumes for Stereo Matching
Stereo matching is a core component in many computer vision and robotics systems. Despite significant advances over the last decade, handling matching ambiguities in ill-posed regions and large disparities remains an open challenge. In this paper, we propose a new deep network architecture, called IGEV++, for stereo matching. The proposed IGEV++ constructs Multi-range Geometry Encoding Volumes (MGEV), which encode coarse-grained geometry information for ill-posed regions and large disparities, while preserving fine-grained geometry information for details and small disparities. To construct MGEV, we introduce an adaptive patch matching module that efficiently and effectively computes matching costs for large disparity ranges and/or ill-posed regions. We further propose a selective geometry feature fusion module to adaptively fuse multi-range and multi-granularity geometry features in MGEV. Then, we input the fused geometry features into ConvGRUs to iteratively update the disparity map. MGEV allows to efficiently handle large disparities and ill-posed regions, such as occlusions and textureless regions, and enjoys rapid convergence during iterations. Our IGEV++ achieves the best performance on the Scene Flow test set across all disparity ranges, up to 768px. Our IGEV++ also achieves state-of-the-art accuracy on the Middlebury, ETH3D, KITTI 2012, and 2015 benchmarks. Specifically, IGEV++ achieves a 3.23\% 2-pixel outlier rate (Bad 2.0) on the large disparity benchmark, Middlebury, representing error reductions of 31.9\% and 54.8\% compared to RAFT-Stereo and GMStereo, respectively. We also present a real-time version of IGEV++ that achieves the best performance among all published real-time methods on the KITTI benchmarks. The code is publicly available at https://github.com/gangweix/IGEV and https://github.com/gangweix/IGEV-plusplus.
Efficient Constant-Space Multi-Vector Retrieval
Multi-vector retrieval methods, exemplified by the ColBERT architecture, have shown substantial promise for retrieval by providing strong trade-offs in terms of retrieval latency and effectiveness. However, they come at a high cost in terms of storage since a (potentially compressed) vector needs to be stored for every token in the input collection. To overcome this issue, we propose encoding documents to a fixed number of vectors, which are no longer necessarily tied to the input tokens. Beyond reducing the storage costs, our approach has the advantage that document representations become of a fixed size on disk, allowing for better OS paging management. Through experiments using the MSMARCO passage corpus and BEIR with the ColBERT-v2 architecture, a representative multi-vector ranking model architecture, we find that passages can be effectively encoded into a fixed number of vectors while retaining most of the original effectiveness.
Bullion: A Column Store for Machine Learning
The past two decades have witnessed significant success in applying columnar storage to data warehousing and analytics. However, the rapid growth of machine learning poses new challenges. This paper presents Bullion, a columnar storage system tailored for machine learning workloads. Bullion addresses the complexities of data compliance, optimizes the encoding of long sequence sparse features, efficiently manages wide-table projections, introduces feature quantization in storage, enables quality-aware sequential reads for multimodal training data, and provides a comprehensive cascading encoding framework that unifies diverse encoding schemes through modular, composable interfaces. By aligning with the evolving requirements of ML applications, Bullion facilitates the application of columnar storage and processing to modern application scenarios such as those within advertising, recommendation systems, and Generative AI. Preliminary experimental results and theoretical analysis demonstrate Bullion's improved ability to deliver strong performance in the face of the unique demands of machine learning workloads compared to existing columnar storage solutions. Bullion significantly reduces I/O costs for deletion compliance, achieves substantial storage savings with its optimized encoding scheme for sparse features, and improves metadata parsing speed for wide-table projections. These advancements enable Bullion to become an important component in the future of machine learning infrastructure, enabling organizations to efficiently manage and process the massive volumes of data required for training and inference in modern AI applications.
Plug-and-Play Document Modules for Pre-trained Models
Large-scale pre-trained models (PTMs) have been widely used in document-oriented NLP tasks, such as question answering. However, the encoding-task coupling requirement results in the repeated encoding of the same documents for different tasks and queries, which is highly computationally inefficient. To this end, we target to decouple document encoding from downstream tasks, and propose to represent each document as a plug-and-play document module, i.e., a document plugin, for PTMs (PlugD). By inserting document plugins into the backbone PTM for downstream tasks, we can encode a document one time to handle multiple tasks, which is more efficient than conventional encoding-task coupling methods that simultaneously encode documents and input queries using task-specific encoders. Extensive experiments on 8 datasets of 4 typical NLP tasks show that PlugD enables models to encode documents once and for all across different scenarios. Especially, PlugD can save 69% computational costs while achieving comparable performance to state-of-the-art encoding-task coupling methods. Additionally, we show that PlugD can serve as an effective post-processing way to inject knowledge into task-specific models, improving model performance without any additional model training.
Lossless Compression with Probabilistic Circuits
Despite extensive progress on image generation, common deep generative model architectures are not easily applied to lossless compression. For example, VAEs suffer from a compression cost overhead due to their latent variables. This overhead can only be partially eliminated with elaborate schemes such as bits-back coding, often resulting in poor single-sample compression rates. To overcome such problems, we establish a new class of tractable lossless compression models that permit efficient encoding and decoding: Probabilistic Circuits (PCs). These are a class of neural networks involving |p| computational units that support efficient marginalization over arbitrary subsets of the D feature dimensions, enabling efficient arithmetic coding. We derive efficient encoding and decoding schemes that both have time complexity O (log(D) cdot |p|), where a naive scheme would have linear costs in D and |p|, making the approach highly scalable. Empirically, our PC-based (de)compression algorithm runs 5-40 times faster than neural compression algorithms that achieve similar bitrates. By scaling up the traditional PC structure learning pipeline, we achieve state-of-the-art results on image datasets such as MNIST. Furthermore, PCs can be naturally integrated with existing neural compression algorithms to improve the performance of these base models on natural image datasets. Our results highlight the potential impact that non-standard learning architectures may have on neural data compression.
FEDZIP: A Compression Framework for Communication-Efficient Federated Learning
Federated Learning marks a turning point in the implementation of decentralized machine learning (especially deep learning) for wireless devices by protecting users' privacy and safeguarding raw data from third-party access. It assigns the learning process independently to each client. First, clients locally train a machine learning model based on local data. Next, clients transfer local updates of model weights and biases (training data) to a server. Then, the server aggregates updates (received from clients) to create a global learning model. However, the continuous transfer between clients and the server increases communication costs and is inefficient from a resource utilization perspective due to the large number of parameters (weights and biases) used by deep learning models. The cost of communication becomes a greater concern when the number of contributing clients and communication rounds increases. In this work, we propose a novel framework, FedZip, that significantly decreases the size of updates while transferring weights from the deep learning model between clients and their servers. FedZip implements Top-z sparsification, uses quantization with clustering, and implements compression with three different encoding methods. FedZip outperforms state-of-the-art compression frameworks and reaches compression rates up to 1085x, and preserves up to 99% of bandwidth and 99% of energy for clients during communication.
Neural Passage Quality Estimation for Static Pruning
Neural networks -- especially those that use large, pre-trained language models -- have improved search engines in various ways. Most prominently, they can estimate the relevance of a passage or document to a user's query. In this work, we depart from this direction by exploring whether neural networks can effectively predict which of a document's passages are unlikely to be relevant to any query submitted to the search engine. We refer to this query-agnostic estimation of passage relevance as a passage's quality. We find that our novel methods for estimating passage quality allow passage corpora to be pruned considerably while maintaining statistically equivalent effectiveness; our best methods can consistently prune >25% of passages in a corpora, across various retrieval pipelines. Such substantial pruning reduces the operating costs of neural search engines in terms of computing resources, power usage, and carbon footprint -- both when processing queries (thanks to a smaller index size) and when indexing (lightweight models can prune low-quality passages prior to the costly dense or learned sparse encoding step). This work sets the stage for developing more advanced neural "learning-what-to-index" methods.
In-Sensor & Neuromorphic Computing are all you need for Energy Efficient Computer Vision
Due to the high activation sparsity and use of accumulates (AC) instead of expensive multiply-and-accumulates (MAC), neuromorphic spiking neural networks (SNNs) have emerged as a promising low-power alternative to traditional DNNs for several computer vision (CV) applications. However, most existing SNNs require multiple time steps for acceptable inference accuracy, hindering real-time deployment and increasing spiking activity and, consequently, energy consumption. Recent works proposed direct encoding that directly feeds the analog pixel values in the first layer of the SNN in order to significantly reduce the number of time steps. Although the overhead for the first layer MACs with direct encoding is negligible for deep SNNs and the CV processing is efficient using SNNs, the data transfer between the image sensors and the downstream processing costs significant bandwidth and may dominate the total energy. To mitigate this concern, we propose an in-sensor computing hardware-software co-design framework for SNNs targeting image recognition tasks. Our approach reduces the bandwidth between sensing and processing by 12-96x and the resulting total energy by 2.32x compared to traditional CV processing, with a 3.8% reduction in accuracy on ImageNet.
ViTAR: Vision Transformer with Any Resolution
his paper tackles a significant challenge faced by Vision Transformers (ViTs): their constrained scalability across different image resolutions. Typically, ViTs experience a performance decline when processing resolutions different from those seen during training. Our work introduces two key innovations to address this issue. Firstly, we propose a novel module for dynamic resolution adjustment, designed with a single Transformer block, specifically to achieve highly efficient incremental token integration. Secondly, we introduce fuzzy positional encoding in the Vision Transformer to provide consistent positional awareness across multiple resolutions, thereby preventing overfitting to any single training resolution. Our resulting model, ViTAR (Vision Transformer with Any Resolution), demonstrates impressive adaptability, achieving 83.3\% top-1 accuracy at a 1120x1120 resolution and 80.4\% accuracy at a 4032x4032 resolution, all while reducing computational costs. ViTAR also shows strong performance in downstream tasks such as instance and semantic segmentation and can easily combined with self-supervised learning techniques like Masked AutoEncoder. Our work provides a cost-effective solution for enhancing the resolution scalability of ViTs, paving the way for more versatile and efficient high-resolution image processing.
Hierarchical Patch Compression for ColPali: Efficient Multi-Vector Document Retrieval with Dynamic Pruning and Quantization
Multi-vector document retrieval systems, such as ColPali, excel in fine-grained matching for complex queries but incur significant storage and computational costs due to their reliance on high-dimensional patch embeddings and late-interaction scoring. To address these challenges, we propose HPC-ColPali, a Hierarchical Patch Compression framework that enhances the efficiency of ColPali while preserving its retrieval accuracy. Our approach integrates three innovative techniques: (1) K-Means quantization, which compresses patch embeddings into 1-byte centroid indices, achieving up to 32times storage reduction; (2) attention-guided dynamic pruning, utilizing Vision-Language Model attention weights to retain only the top-p% most salient patches, reducing late-interaction computation by up to 60\% with less than 2\% nDCG@10 loss; and (3) optional binary encoding of centroid indices into b-bit strings (b=lceillog_2 Krceil), enabling rapid Hamming distance-based similarity search for resource-constrained environments. Evaluated on the ViDoRe and SEC-Filings datasets, HPC-ColPali achieves 30--50\% lower query latency under HNSW indexing while maintaining high retrieval precision. When integrated into a Retrieval-Augmented Generation pipeline for legal summarization, it reduces hallucination rates by 30\% and halves end-to-end latency. These advancements establish HPC-ColPali as a scalable and efficient solution for multi-vector document retrieval across diverse applications. Code is available at https://github.com/DngBack/HPC-ColPali.
Broken-Token: Filtering Obfuscated Prompts by Counting Characters-Per-Token
Large Language Models (LLMs) are susceptible to jailbreak attacks where malicious prompts are disguised using ciphers and character-level encodings to bypass safety guardrails. While these guardrails often fail to interpret the encoded content, the underlying models can still process the harmful instructions. We introduce CPT-Filtering, a novel, model-agnostic with negligible-costs and near-perfect accuracy guardrail technique that aims to mitigate these attacks by leveraging the intrinsic behavior of Byte-Pair Encoding (BPE) tokenizers. Our method is based on the principle that tokenizers, trained on natural language, represent out-of-distribution text, such as ciphers, using a significantly higher number of shorter tokens. Our technique uses a simple yet powerful artifact of using language models: the average number of Characters Per Token (CPT) in the text. This approach is motivated by the high compute cost of modern methods - relying on added modules such as dedicated LLMs or perplexity models. We validate our approach across a large dataset of over 100,000 prompts, testing numerous encoding schemes with several popular tokenizers. Our experiments demonstrate that a simple CPT threshold robustly identifies encoded text with high accuracy, even for very short inputs. CPT-Filtering provides a practical defense layer that can be immediately deployed for real-time text filtering and offline data curation.
WF-VAE: Enhancing Video VAE by Wavelet-Driven Energy Flow for Latent Video Diffusion Model
Video Variational Autoencoder (VAE) encodes videos into a low-dimensional latent space, becoming a key component of most Latent Video Diffusion Models (LVDMs) to reduce model training costs. However, as the resolution and duration of generated videos increase, the encoding cost of Video VAEs becomes a limiting bottleneck in training LVDMs. Moreover, the block-wise inference method adopted by most LVDMs can lead to discontinuities of latent space when processing long-duration videos. The key to addressing the computational bottleneck lies in decomposing videos into distinct components and efficiently encoding the critical information. Wavelet transform can decompose videos into multiple frequency-domain components and improve the efficiency significantly, we thus propose Wavelet Flow VAE (WF-VAE), an autoencoder that leverages multi-level wavelet transform to facilitate low-frequency energy flow into latent representation. Furthermore, we introduce a method called Causal Cache, which maintains the integrity of latent space during block-wise inference. Compared to state-of-the-art video VAEs, WF-VAE demonstrates superior performance in both PSNR and LPIPS metrics, achieving 2x higher throughput and 4x lower memory consumption while maintaining competitive reconstruction quality. Our code and models are available at https://github.com/PKU-YuanGroup/WF-VAE.
