Daily Papers

Semi-supervised semantic segmentation (SSS) is an important task that utilizes both labeled and unlabeled data to reduce expenses on labeling training examples. However, the effectiveness of SSS algorithms is limited by the difficulty of fully exploiting the potential of unlabeled data. To address this, we propose a dual-level Siamese structure network (DSSN) for pixel-wise contrastive learning. By aligning positive pairs with a pixel-wise contrastive loss using strong augmented views in both low-level image space and high-level feature space, the proposed DSSN is designed to maximize the utilization of available unlabeled data. Additionally, we introduce a novel class-aware pseudo-label selection strategy for weak-to-strong supervision, which addresses the limitations of most existing methods that do not perform selection or apply a predefined threshold for all classes. Specifically, our strategy selects the top high-confidence prediction of the weak view for each class to generate pseudo labels that supervise the strong augmented views. This strategy is capable of taking into account the class imbalance and improving the performance of long-tailed classes. Our proposed method achieves state-of-the-art results on two datasets, PASCAL VOC 2012 and Cityscapes, outperforming other SSS algorithms by a significant margin.

One-shot voice conversion aims to change the timbre of any source speech to match that of the unseen target speaker with only one speech sample. Existing methods face difficulties in satisfactory speech representation disentanglement and suffer from sizable networks as some of them leverage numerous complex modules for disentanglement. In this paper, we propose a model named MAIN-VC to effectively disentangle via a concise neural network. The proposed model utilizes Siamese encoders to learn clean representations, further enhanced by the designed mutual information estimator. The Siamese structure and the newly designed convolution module contribute to the lightweight of our model while ensuring performance in diverse voice conversion tasks. The experimental results show that the proposed model achieves comparable subjective scores and exhibits improvements in objective metrics compared to existing methods in a one-shot voice conversion scenario.

Contrastive learning models based on Siamese structure have demonstrated remarkable performance in self-supervised learning. Such a success of contrastive learning relies on two conditions, a sufficient number of positive pairs and adequate variations between them. If the conditions are not met, these frameworks will lack semantic contrast and be fragile on overfitting. To address these two issues, we propose Hallucinator that could efficiently generate additional positive samples for further contrast. The Hallucinator is differentiable and creates new data in the feature space. Thus, it is optimized directly with the pre-training task and introduces nearly negligible computation. Moreover, we reduce the mutual information of hallucinated pairs and smooth them through non-linear operations. This process helps avoid over-confident contrastive learning models during the training and achieves more transformation-invariant feature embeddings. Remarkably, we empirically prove that the proposed Hallucinator generalizes well to various contrastive learning models, including MoCoV1&V2, SimCLR and SimSiam. Under the linear classification protocol, a stable accuracy gain is achieved, ranging from 0.3% to 3.0% on CIFAR10&100, Tiny ImageNet, STL-10 and ImageNet. The improvement is also observed in transferring pre-train encoders to the downstream tasks, including object detection and segmentation.

The whole slide image (WSI) classification is often formulated as a multiple instance learning (MIL) problem. Since the positive tissue is only a small fraction of the gigapixel WSI, existing MIL methods intuitively focus on identifying salient instances via attention mechanisms. However, this leads to a bias towards easy-to-classify instances while neglecting hard-to-classify instances. Some literature has revealed that hard examples are beneficial for modeling a discriminative boundary accurately. By applying such an idea at the instance level, we elaborate a novel MIL framework with masked hard instance mining (MHIM-MIL), which uses a Siamese structure (Teacher-Student) with a consistency constraint to explore the potential hard instances. With several instance masking strategies based on attention scores, MHIM-MIL employs a momentum teacher to implicitly mine hard instances for training the student model, which can be any attention-based MIL model. This counter-intuitive strategy essentially enables the student to learn a better discriminating boundary. Moreover, the student is used to update the teacher with an exponential moving average (EMA), which in turn identifies new hard instances for subsequent training iterations and stabilizes the optimization. Experimental results on the CAMELYON-16 and TCGA Lung Cancer datasets demonstrate that MHIM-MIL outperforms other latest methods in terms of performance and training cost. The code is available at: https://github.com/DearCaat/MHIM-MIL.

Nonparallel multi-domain voice conversion methods such as the StarGAN-VCs have been widely applied in many scenarios. However, the training of these models usually poses a challenge due to their complicated adversarial network architectures. To address this, in this work we leverage the state-of-the-art contrastive learning techniques and incorporate an efficient Siamese network structure into the StarGAN discriminator. Our method is called SimSiam-StarGAN-VC and it boosts the training stability and effectively prevents the discriminator overfitting issue in the training process. We conduct experiments on the Voice Conversion Challenge (VCC 2018) dataset, plus a user study to validate the performance of our framework. Our experimental results show that SimSiam-StarGAN-VC significantly outperforms existing StarGAN-VC methods in terms of both the objective and subjective metrics.

Siamese networks have become a common structure in various recent models for unsupervised visual representation learning. These models maximize the similarity between two augmentations of one image, subject to certain conditions for avoiding collapsing solutions. In this paper, we report surprising empirical results that simple Siamese networks can learn meaningful representations even using none of the following: (i) negative sample pairs, (ii) large batches, (iii) momentum encoders. Our experiments show that collapsing solutions do exist for the loss and structure, but a stop-gradient operation plays an essential role in preventing collapsing. We provide a hypothesis on the implication of stop-gradient, and further show proof-of-concept experiments verifying it. Our "SimSiam" method achieves competitive results on ImageNet and downstream tasks. We hope this simple baseline will motivate people to rethink the roles of Siamese architectures for unsupervised representation learning. Code will be made available.

Tables are a popular and efficient means of presenting structured information. They are used extensively in various kinds of documents including web pages. Tables display information as a two-dimensional matrix, the semantics of which is conveyed by a mixture of structure (rows, columns), headers, caption, and content. Recent research has started to consider tables as first class objects, not just as an addendum to texts, yielding interesting results for problems like table matching, table completion, or value imputation. All of these problems inherently rely on an accurate measure for the semantic similarity of two tables. We present TabSim, a novel method to compute table similarity scores using deep neural networks. Conceptually, TabSim represents a table as a learned concatenation of embeddings of its caption, its content, and its structure. Given two tables in this representation, a Siamese neural network is trained to compute a score correlating with the tables' semantic similarity. To train and evaluate our method, we created a gold standard corpus consisting of 1500 table pairs extracted from biomedical articles and manually scored regarding their degree of similarity, and adopted two other corpora originally developed for a different yet similar task. Our evaluation shows that TabSim outperforms other table similarity measures on average by app. 7% pp F1-score in a binary similarity classification setting and by app. 1.5% pp in a ranking scenario.

Multi-modal semantic segmentation significantly enhances AI agents' perception and scene understanding, especially under adverse conditions like low-light or overexposed environments. Leveraging additional modalities (X-modality) like thermal and depth alongside traditional RGB provides complementary information, enabling more robust and reliable segmentation. In this work, we introduce Sigma, a Siamese Mamba network for multi-modal semantic segmentation, utilizing the Selective Structured State Space Model, Mamba. Unlike conventional methods that rely on CNNs, with their limited local receptive fields, or Vision Transformers (ViTs), which offer global receptive fields at the cost of quadratic complexity, our model achieves global receptive fields coverage with linear complexity. By employing a Siamese encoder and innovating a Mamba fusion mechanism, we effectively select essential information from different modalities. A decoder is then developed to enhance the channel-wise modeling ability of the model. Our method, Sigma, is rigorously evaluated on both RGB-Thermal and RGB-Depth segmentation tasks, demonstrating its superiority and marking the first successful application of State Space Models (SSMs) in multi-modal perception tasks. Code is available at https://github.com/zifuwan/Sigma.

Although achieving significant progress, existing deep generative inpainting methods are far from real-world applications due to the low generalization across different scenes. As a result, the generated images usually contain artifacts or the filled pixels differ greatly from the ground truth. Image-level predictive filtering is a widely used image restoration technique, predicting suitable kernels adaptively according to different input scenes. Inspired by this inherent advantage, we explore the possibility of addressing image inpainting as a filtering task. To this end, we first study the advantages and challenges of image-level predictive filtering for image inpainting: the method can preserve local structures and avoid artifacts but fails to fill large missing areas. Then, we propose semantic filtering by conducting filtering on the deep feature level, which fills the missing semantic information but fails to recover the details. To address the issues while adopting the respective advantages, we propose a novel filtering technique, i.e., Multilevel Interactive Siamese Filtering (MISF), which contains two branches: kernel prediction branch (KPB) and semantic & image filtering branch (SIFB). These two branches are interactively linked: SIFB provides multi-level features for KPB while KPB predicts dynamic kernels for SIFB. As a result, the final method takes the advantage of effective semantic & image-level filling for high-fidelity inpainting. We validate our method on three challenging datasets, i.e., Dunhuang, Places2, and CelebA. Our method outperforms state-of-the-art baselines on four metrics, i.e., L1, PSNR, SSIM, and LPIPS. Please try the released code and model at https://github.com/tsingqguo/misf.

BERT (Devlin et al., 2018) and RoBERTa (Liu et al., 2019) has set a new state-of-the-art performance on sentence-pair regression tasks like semantic textual similarity (STS). However, it requires that both sentences are fed into the network, which causes a massive computational overhead: Finding the most similar pair in a collection of 10,000 sentences requires about 50 million inference computations (~65 hours) with BERT. The construction of BERT makes it unsuitable for semantic similarity search as well as for unsupervised tasks like clustering. In this publication, we present Sentence-BERT (SBERT), a modification of the pretrained BERT network that use siamese and triplet network structures to derive semantically meaningful sentence embeddings that can be compared using cosine-similarity. This reduces the effort for finding the most similar pair from 65 hours with BERT / RoBERTa to about 5 seconds with SBERT, while maintaining the accuracy from BERT. We evaluate SBERT and SRoBERTa on common STS tasks and transfer learning tasks, where it outperforms other state-of-the-art sentence embeddings methods.

This paper addresses a long-standing problem in the field of accounting: mapping company-specific ledger accounts to a standardized chart of accounts. We propose a novel solution, TopoLedgerBERT, a unique sentence embedding method devised specifically for ledger account mapping. This model integrates hierarchical information from the charts of accounts into the sentence embedding process, aiming to accurately capture both the semantic similarity and the hierarchical structure of the ledger accounts. In addition, we introduce a data augmentation strategy that enriches the training data and, as a result, increases the performance of our proposed model. Compared to benchmark methods, TopoLedgerBERT demonstrates superior performance in terms of accuracy and mean reciprocal rank.

Masked image modelling (e.g., Masked AutoEncoder) and contrastive learning (e.g., Momentum Contrast) have shown impressive performance on unsupervised visual representation learning. This work presents Masked Contrastive Representation Learning (MACRL) for self-supervised visual pre-training. In particular, MACRL leverages the effectiveness of both masked image modelling and contrastive learning. We adopt an asymmetric setting for the siamese network (i.e., encoder-decoder structure in both branches), where one branch with higher mask ratio and stronger data augmentation, while the other adopts weaker data corruptions. We optimize a contrastive learning objective based on the learned features from the encoder in both branches. Furthermore, we minimize the L_1 reconstruction loss according to the decoders' outputs. In our experiments, MACRL presents superior results on various vision benchmarks, including CIFAR-10, CIFAR-100, Tiny-ImageNet, and two other ImageNet subsets. Our framework provides unified insights on self-supervised visual pre-training and future research.

Contextualized representations from a pre-trained language model are central to achieve a high performance on downstream NLP task. The pre-trained BERT and A Lite BERT (ALBERT) models can be fine-tuned to give state-ofthe-art results in sentence-pair regressions such as semantic textual similarity (STS) and natural language inference (NLI). Although BERT-based models yield the [CLS] token vector as a reasonable sentence embedding, the search for an optimal sentence embedding scheme remains an active research area in computational linguistics. This paper explores on sentence embedding models for BERT and ALBERT. In particular, we take a modified BERT network with siamese and triplet network structures called Sentence-BERT (SBERT) and replace BERT with ALBERT to create Sentence-ALBERT (SALBERT). We also experiment with an outer CNN sentence-embedding network for SBERT and SALBERT. We evaluate performances of all sentence-embedding models considered using the STS and NLI datasets. The empirical results indicate that our CNN architecture improves ALBERT models substantially more than BERT models for STS benchmark. Despite significantly fewer model parameters, ALBERT sentence embedding is highly competitive to BERT in downstream NLP evaluations.

In tackling the challenge of Multi-Document Summarization (MDS), numerous methods have been proposed, spanning both extractive and abstractive summarization techniques. However, each approach has its own limitations, making it less effective to rely solely on either one. An emerging and promising strategy involves a synergistic fusion of extractive and abstractive summarization methods. Despite the plethora of studies in this domain, research on the combined methodology remains scarce, particularly in the context of Vietnamese language processing. This paper presents a novel Vietnamese MDS framework leveraging a two-component pipeline architecture that integrates extractive and abstractive techniques. The first component employs an extractive approach to identify key sentences within each document. This is achieved by a modification of the pre-trained BERT network, which derives semantically meaningful phrase embeddings using siamese and triplet network structures. The second component utilizes the VBD-LLaMA2-7B-50b model for abstractive summarization, ultimately generating the final summary document. Our proposed framework demonstrates a positive performance, attaining ROUGE-2 scores of 39.6% on the VN-MDS dataset and outperforming the state-of-the-art baselines.

We propose Masked Siamese Networks (MSN), a self-supervised learning framework for learning image representations. Our approach matches the representation of an image view containing randomly masked patches to the representation of the original unmasked image. This self-supervised pre-training strategy is particularly scalable when applied to Vision Transformers since only the unmasked patches are processed by the network. As a result, MSNs improve the scalability of joint-embedding architectures, while producing representations of a high semantic level that perform competitively on low-shot image classification. For instance, on ImageNet-1K, with only 5,000 annotated images, our base MSN model achieves 72.4% top-1 accuracy, and with 1% of ImageNet-1K labels, we achieve 75.7% top-1 accuracy, setting a new state-of-the-art for self-supervised learning on this benchmark. Our code is publicly available.

Handwriting recognition is one of the desirable attributes of document comprehension and analysis. It is concerned with the documents writing style and characteristics that distinguish the authors. The diversity of text images, notably in images with varying handwriting, makes the process of learning good features difficult in cases where little data is available. In this paper, we propose a novel scheme to identify the author of a document based on the input word image. Our method is text independent and does not impose any constraint on the size of the input image under examination. To begin with, we detect crucial components in handwriting and extract regions surrounding them using Scale Invariant Feature Transform (SIFT). These patches are designed to capture individual writing features (including allographs, characters, or combinations of characters) that are likely to be unique for an individual writer. These features are then passed through a deep Convolutional Neural Network (CNN) in which the weights are learned by applying the concept of Similarity learning using Siamese network. Siamese network enhances the discrimination power of CNN by mapping similarity between different pairs of input image. Features learned at different scales of the extracted SIFT key-points are encoded using Sparse PCA, each components of the Sparse PCA is assigned a saliency score signifying its level of significance in discriminating different writers effectively. Finally, the weighted Sparse PCA corresponding to each SIFT key-points is combined to arrive at a final classification score for each writer. The proposed algorithm was evaluated on two publicly available databases (namely IAM and CVL) and is able to achieve promising result, when compared with other deep learning based algorithm.

In the domain of computer vision, the restoration of missing information in video frames is a critical challenge, particularly in applications such as autonomous driving and surveillance systems. This paper introduces the Siamese Masked Conditional Variational Autoencoder (SiamMCVAE), leveraging a siamese architecture with twin encoders based on vision transformers. This innovative design enhances the model's ability to comprehend lost content by capturing intrinsic similarities between paired frames. SiamMCVAE proficiently reconstructs missing elements in masked frames, effectively addressing issues arising from camera malfunctions through variational inferences. Experimental results robustly demonstrate the model's effectiveness in restoring missing information, thus enhancing the resilience of computer vision systems. The incorporation of Siamese Vision Transformer (SiamViT) encoders in SiamMCVAE exemplifies promising potential for addressing real-world challenges in computer vision, reinforcing the adaptability of autonomous systems in dynamic environments.

We introduce Image2Struct, a benchmark to evaluate vision-language models (VLMs) on extracting structure from images. Our benchmark 1) captures real-world use cases, 2) is fully automatic and does not require human judgment, and 3) is based on a renewable stream of fresh data. In Image2Struct, VLMs are prompted to generate the underlying structure (e.g., LaTeX code or HTML) from an input image (e.g., webpage screenshot). The structure is then rendered to produce an output image (e.g., rendered webpage), which is compared against the input image to produce a similarity score. This round-trip evaluation allows us to quantitatively evaluate VLMs on tasks with multiple valid structures. We create a pipeline that downloads fresh data from active online communities upon execution and evaluates the VLMs without human intervention. We introduce three domains (Webpages, LaTeX, and Musical Scores) and use five image metrics (pixel similarity, cosine similarity between the Inception vectors, learned perceptual image patch similarity, structural similarity index measure, and earth mover similarity) that allow efficient and automatic comparison between pairs of images. We evaluate Image2Struct on 14 prominent VLMs and find that scores vary widely, indicating that Image2Struct can differentiate between the performances of different VLMs. Additionally, the best score varies considerably across domains (e.g., 0.402 on sheet music vs. 0.830 on LaTeX equations), indicating that Image2Struct contains tasks of varying difficulty. For transparency, we release the full results at https://crfm.stanford.edu/helm/image2struct/v1.0.1/.

Coecke, Sadrzadeh, and Clark (arXiv:1003.4394v1 [cs.CL]) developed a compositional model of meaning for distributional semantics, in which each word in a sentence has a meaning vector and the distributional meaning of the sentence is a function of the tensor products of the word vectors. Abstractly speaking, this function is the morphism corresponding to the grammatical structure of the sentence in the category of finite dimensional vector spaces. In this paper, we provide a concrete method for implementing this linear meaning map, by constructing a corpus-based vector space for the type of sentence. Our construction method is based on structured vector spaces whereby meaning vectors of all sentences, regardless of their grammatical structure, live in the same vector space. Our proposed sentence space is the tensor product of two noun spaces, in which the basis vectors are pairs of words each augmented with a grammatical role. This enables us to compare meanings of sentences by simply taking the inner product of their vectors.

In the radiation therapy of nasopharyngeal carcinoma (NPC), clinicians typically delineate the gross tumor volume (GTV) using non-contrast planning computed tomography to ensure accurate radiation dose delivery. However, the low contrast between tumors and adjacent normal tissues necessitates that radiation oncologists manually delineate the tumors, often relying on diagnostic MRI for guidance. % In this study, we propose a novel approach to directly segment NPC gross tumors on non-contrast planning CT images, circumventing potential registration errors when aligning MRI or MRI-derived tumor masks to planning CT. To address the low contrast issues between tumors and adjacent normal structures in planning CT, we introduce a 3D Semantic Asymmetry Tumor segmentation (SATs) method. Specifically, we posit that a healthy nasopharyngeal region is characteristically bilaterally symmetric, whereas the emergence of nasopharyngeal carcinoma disrupts this symmetry. Then, we propose a Siamese contrastive learning segmentation framework that minimizes the voxel-wise distance between original and flipped areas without tumor and encourages a larger distance between original and flipped areas with tumor. Thus, our approach enhances the sensitivity of features to semantic asymmetries. % Extensive experiments demonstrate that the proposed SATs achieves the leading NPC GTV segmentation performance in both internal and external testing, e.g., with at least 2\% absolute Dice score improvement and 12\% average distance error reduction when compared to other state-of-the-art methods in the external testing.

Diffusion models have been recognized for their ability to generate images that are not only visually appealing but also of high artistic quality. As a result, Layout-to-Image (L2I) generation has been proposed to leverage region-specific positions and descriptions to enable more precise and controllable generation. However, previous methods primarily focus on UNet-based models (e.g., SD1.5 and SDXL), and limited effort has explored Multimodal Diffusion Transformers (MM-DiTs), which have demonstrated powerful image generation capabilities. Enabling MM-DiT for layout-to-image generation seems straightforward but is challenging due to the complexity of how layout is introduced, integrated, and balanced among multiple modalities. To this end, we explore various network variants to efficiently incorporate layout guidance into MM-DiT, and ultimately present SiamLayout. To Inherit the advantages of MM-DiT, we use a separate set of network weights to process the layout, treating it as equally important as the image and text modalities. Meanwhile, to alleviate the competition among modalities, we decouple the image-layout interaction into a siamese branch alongside the image-text one and fuse them in the later stage. Moreover, we contribute a large-scale layout dataset, named LayoutSAM, which includes 2.7 million image-text pairs and 10.7 million entities. Each entity is annotated with a bounding box and a detailed description. We further construct the LayoutSAM-Eval benchmark as a comprehensive tool for evaluating the L2I generation quality. Finally, we introduce the Layout Designer, which taps into the potential of large language models in layout planning, transforming them into experts in layout generation and optimization. Our code, model, and dataset will be available at https://creatilayout.github.io.

Deep neural networks can approximate functions on different types of data, from images to graphs, with varied underlying structure. This underlying structure can be viewed as the geometry of the data manifold. By extending recent advances in the theoretical understanding of neural networks, we study how a randomly initialized neural network with piece-wise linear activation splits the data manifold into regions where the neural network behaves as a linear function. We derive bounds on the density of boundary of linear regions and the distance to these boundaries on the data manifold. This leads to insights into the expressivity of randomly initialized deep neural networks on non-Euclidean data sets. We empirically corroborate our theoretical results using a toy supervised learning problem. Our experiments demonstrate that number of linear regions varies across manifolds and the results hold with changing neural network architectures. We further demonstrate how the complexity of linear regions is different on the low dimensional manifold of images as compared to the Euclidean space, using the MetFaces dataset.

Self-supervised pre-training of image encoders is omnipresent in the literature, particularly following the introduction of Masked autoencoders (MAE). Current efforts attempt to learn object-centric representations from motion in videos. In particular, SiamMAE recently introduced a Siamese network, training a shared-weight encoder from two frames of a video with a high asymmetric masking ratio (95%). In this work, we propose CropMAE, an alternative approach to the Siamese pre-training introduced by SiamMAE. Our method specifically differs by exclusively considering pairs of cropped images sourced from the same image but cropped differently, deviating from the conventional pairs of frames extracted from a video. CropMAE therefore alleviates the need for video datasets, while maintaining competitive performances and drastically reducing pre-training and learning time. Furthermore, we demonstrate that CropMAE learns similar object-centric representations without explicit motion, showing that current self-supervised learning methods do not learn such representations from explicit object motion, but rather thanks to the implicit image transformations that occur between the two views. Finally, CropMAE achieves the highest masking ratio to date (98.5%), enabling the reconstruction of images using only two visible patches. Our code is available at https://github.com/alexandre-eymael/CropMAE.

Graph structure learning aims to learn connectivity in a graph from data. It is particularly important for many computer vision related tasks since no explicit graph structure is available for images for most cases. A natural way to construct a graph among images is to treat each image as a node and assign pairwise image similarities as weights to corresponding edges. It is well known that pairwise similarities between images are sensitive to the noise in feature representations, leading to unreliable graph structures. We address this problem from the viewpoint of statistical tests. By viewing the feature vector of each node as an independent sample, the decision of whether creating an edge between two nodes based on their similarity in feature representation can be thought as a {it single} statistical test. To improve the robustness in the decision of creating an edge, multiple samples are drawn and integrated by {it multiple} statistical tests to generate a more reliable similarity measure, consequentially more reliable graph structure. The corresponding elegant matrix form named B-Attention is designed for efficiency. The effectiveness of multiple tests for graph structure learning is verified both theoretically and empirically on multiple clustering and ReID benchmark datasets. Source codes are available at https://github.com/Thomas-wyh/B-Attention.

In "Backprop as functor", the authors show that the fundamental elements of deep learning -- gradient descent and backpropagation -- can be conceptualized as a strong monoidal functor Para(Euc)toLearn from the category of parameterized Euclidean spaces to that of learners, a category developed explicitly to capture parameter update and backpropagation. It was soon realized that there is an isomorphism LearncongPara(Slens), where Slens is the symmetric monoidal category of simple lenses as used in functional programming. In this note, we observe that Slens is a full subcategory of Poly, the category of polynomial functors in one variable, via the functor Amapsto Ay^A. Using the fact that (Poly,otimes) is monoidal closed, we show that a map Ato B in Para(Slens) has a natural interpretation in terms of dynamical systems (more precisely, generalized Moore machines) whose interface is the internal-hom type [Ay^A,By^B]. Finally, we review the fact that the category p-Coalg of dynamical systems on any p in Poly forms a topos, and consider the logical propositions that can be stated in its internal language. We give gradient descent as an example, and we conclude by discussing some directions for future work.

Lenses are a well-established structure for modelling bidirectional transformations, such as the interactions between a database and a view of it. Lenses may be symmetric or asymmetric, and may be composed, forming the morphisms of a monoidal category. More recently, the notion of a learner has been proposed: these provide a compositional way of modelling supervised learning algorithms, and again form the morphisms of a monoidal category. In this paper, we show that the two concepts are tightly linked. We show both that there is a faithful, identity-on-objects symmetric monoidal functor embedding a category of asymmetric lenses into the category of learners, and furthermore there is such a functor embedding the category of learners into a category of symmetric lenses.

Image geolocalization, inferring the geographic location of an image, is a challenging computer vision problem with many potential applications. The recent state-of-the-art approach to this problem is a deep image classification approach in which the world is spatially divided into cells and a deep network is trained to predict the correct cell for a given image. We propose to combine this approach with the original Im2GPS approach in which a query image is matched against a database of geotagged images and the location is inferred from the retrieved set. We estimate the geographic location of a query image by applying kernel density estimation to the locations of its nearest neighbors in the reference database. Interestingly, we find that the best features for our retrieval task are derived from networks trained with classification loss even though we do not use a classification approach at test time. Training with classification loss outperforms several deep feature learning methods (e.g. Siamese networks with contrastive of triplet loss) more typical for retrieval applications. Our simple approach achieves state-of-the-art geolocalization accuracy while also requiring significantly less training data.

Understanding interior scenes has attracted enormous interest in computer vision community. However, few works focus on the understanding of furniture within the scenes and a large-scale dataset is also lacked to advance the field. In this paper, we first fill the gap by presenting DeepFurniture, a richly annotated large indoor scene dataset, including 24k indoor images, 170k furniture instances and 20k unique furniture identities. On the dataset, we introduce a new benchmark, named furniture set retrieval. Given an indoor photo as input, the task requires to detect all the furniture instances and search a matched set of furniture identities. To address this challenging task, we propose a feature and context embedding based framework. It contains 3 major contributions: (1) An improved Mask-RCNN model with an additional mask-based classifier is introduced for better utilizing the mask information to relieve the occlusion problems in furniture detection context. (2) A multi-task style Siamese network is proposed to train the feature embedding model for retrieval, which is composed of a classification subnet supervised by self-clustered pseudo attributes and a verification subnet to estimate whether the input pair is matched. (3) In order to model the relationship of the furniture entities in an interior design, a context embedding model is employed to re-rank the retrieval results. Extensive experiments demonstrate the effectiveness of each module and the overall system.

Understanding how semantic meaning is encoded in the representation spaces of large language models is a fundamental problem in interpretability. In this paper, we study the two foundational questions in this area. First, how are categorical concepts, such as {'mammal', 'bird', 'reptile', 'fish'}, represented? Second, how are hierarchical relations between concepts encoded? For example, how is the fact that 'dog' is a kind of 'mammal' encoded? We show how to extend the linear representation hypothesis to answer these questions. We find a remarkably simple structure: simple categorical concepts are represented as simplices, hierarchically related concepts are orthogonal in a sense we make precise, and (in consequence) complex concepts are represented as polytopes constructed from direct sums of simplices, reflecting the hierarchical structure. We validate these theoretical results on the Gemma large language model, estimating representations for 957 hierarchically related concepts using data from WordNet.

Non-convex optimization plays a key role in a growing number of machine learning applications. This motivates the identification of specialized structure that enables sharper theoretical analysis. One such identified structure is quasar-convexity, a non-convex generalization of convexity that subsumes convex functions. Existing algorithms for minimizing quasar-convex functions in the stochastic setting have either high complexity or slow convergence, which prompts us to derive a new class of stochastic methods for optimizing smooth quasar-convex functions. We demonstrate that our algorithms have fast convergence and outperform existing algorithms on several examples, including the classical problem of learning linear dynamical systems. We also present a unified analysis of our newly proposed algorithms and a previously studied deterministic algorithm.

Despite significant advances in large-scale text-to-image models, achieving hyper-realistic human image generation remains a desirable yet unsolved task. Existing models like Stable Diffusion and DALL-E 2 tend to generate human images with incoherent parts or unnatural poses. To tackle these challenges, our key insight is that human image is inherently structural over multiple granularities, from the coarse-level body skeleton to fine-grained spatial geometry. Therefore, capturing such correlations between the explicit appearance and latent structure in one model is essential to generate coherent and natural human images. To this end, we propose a unified framework, HyperHuman, that generates in-the-wild human images of high realism and diverse layouts. Specifically, 1) we first build a large-scale human-centric dataset, named HumanVerse, which consists of 340M images with comprehensive annotations like human pose, depth, and surface normal. 2) Next, we propose a Latent Structural Diffusion Model that simultaneously denoises the depth and surface normal along with the synthesized RGB image. Our model enforces the joint learning of image appearance, spatial relationship, and geometry in a unified network, where each branch in the model complements to each other with both structural awareness and textural richness. 3) Finally, to further boost the visual quality, we propose a Structure-Guided Refiner to compose the predicted conditions for more detailed generation of higher resolution. Extensive experiments demonstrate that our framework yields the state-of-the-art performance, generating hyper-realistic human images under diverse scenarios. Project Page: https://snap-research.github.io/HyperHuman/

Current Multimodal Large Language Models (MLLMs) typically integrate a pre-trained LLM with another pre-trained vision transformer through a connector, such as an MLP, endowing the LLM with visual capabilities. However, the misalignment between two embedding strategies in MLLMs -- the structural textual embeddings based on an embedding look-up table and the continuous embeddings generated directly by the vision encoder -- makes challenges for a more seamless fusion of visual and textual information. We propose Ovis, a novel MLLM architecture designed to structurally align visual and textual embeddings. Ovis integrates an additional learnable visual embedding table into the visual encoder's process. To capture rich visual semantics, each image patch indexes the visual embedding table multiple times, resulting in a final visual embedding that is a probabilistic combination of the indexed embeddings. This structural approach mirrors the method used for generating textual embeddings. Empirical evaluations on various multimodal benchmarks demonstrate that Ovis outperforms open-source MLLMs of similar parameter scales and even surpasses the proprietary model Qwen-VL-Plus overall. These results highlight the potential of Ovis' structured visual representation for advancing MLLM architectural design and promoting more effective multimodal learning. Both the source code and the training dataset of Ovis will be made publicly available.

Image registration is important for medical imaging, the estimation of the spatial transformation between different images. Many previous studies have used learning-based methods for coarse-to-fine registration to efficiently perform 3D image registration. The coarse-to-fine approach, however, is limited when dealing with the different motions of nearby objects. Here we propose a novel Motion-Aware (MA) structure that captures the different motions in a region. The MA structure incorporates a novel Residual Aligner (RA) module which predicts the multi-head displacement field used to disentangle the different motions of multiple neighbouring objects. Compared with other deep learning methods, the network based on the MA structure and RA module achieve one of the most accurate unsupervised inter-subject registration on the 9 organs of assorted sizes in abdominal CT scans, with the highest-ranked registration of the veins (Dice Similarity Coefficient / Average surface distance: 62\%/4.9mm for the vena cava and 34\%/7.9mm for the portal and splenic vein), with a half-sized structure and more efficient computation. Applied to the segmentation of lungs in chest CT scans, the new network achieves results which were indistinguishable from the best-ranked networks (94\%/3.0mm). Additionally, the theorem on predicted motion pattern and the design of MA structure are validated by further analysis.

In this work, the human parsing task, namely decomposing a human image into semantic fashion/body regions, is formulated as an Active Template Regression (ATR) problem, where the normalized mask of each fashion/body item is expressed as the linear combination of the learned mask templates, and then morphed to a more precise mask with the active shape parameters, including position, scale and visibility of each semantic region. The mask template coefficients and the active shape parameters together can generate the human parsing results, and are thus called the structure outputs for human parsing. The deep Convolutional Neural Network (CNN) is utilized to build the end-to-end relation between the input human image and the structure outputs for human parsing. More specifically, the structure outputs are predicted by two separate networks. The first CNN network is with max-pooling, and designed to predict the template coefficients for each label mask, while the second CNN network is without max-pooling to preserve sensitivity to label mask position and accurately predict the active shape parameters. For a new image, the structure outputs of the two networks are fused to generate the probability of each label for each pixel, and super-pixel smoothing is finally used to refine the human parsing result. Comprehensive evaluations on a large dataset well demonstrate the significant superiority of the ATR framework over other state-of-the-arts for human parsing. In particular, the F1-score reaches 64.38% by our ATR framework, significantly higher than 44.76% based on the state-of-the-art algorithm.

We provide a construction for categorical representation learning and introduce the foundations of "categorifier". The central theme in representation learning is the idea of everything to vector. Every object in a dataset S can be represented as a vector in R^n by an encoding map E: Obj(S)toR^n. More importantly, every morphism can be represented as a matrix E: Hom(S)toR^{n}_{n}. The encoding map E is generally modeled by a deep neural network. The goal of representation learning is to design appropriate tasks on the dataset to train the encoding map (assuming that an encoding is optimal if it universally optimizes the performance on various tasks). However, the latter is still a set-theoretic approach. The goal of the current article is to promote the representation learning to a new level via a category-theoretic approach. As a proof of concept, we provide an example of a text translator equipped with our technology, showing that our categorical learning model outperforms the current deep learning models by 17 times. The content of the current article is part of the recent US patent proposal (patent application number: 63110906).

We present our position on the elusive quest for a general-purpose framework for specifying and studying deep learning architectures. Our opinion is that the key attempts made so far lack a coherent bridge between specifying constraints which models must satisfy and specifying their implementations. Focusing on building a such a bridge, we propose to apply category theory -- precisely, the universal algebra of monads valued in a 2-category of parametric maps -- as a single theory elegantly subsuming both of these flavours of neural network design. To defend our position, we show how this theory recovers constraints induced by geometric deep learning, as well as implementations of many architectures drawn from the diverse landscape of neural networks, such as RNNs. We also illustrate how the theory naturally encodes many standard constructs in computer science and automata theory.

Transformers are widely used to extract semantic meanings from input tokens, yet they usually operate as black-box models. In this paper, we present a simple yet informative decomposition of hidden states (or embeddings) of trained transformers into interpretable components. For any layer, embedding vectors of input sequence samples are represented by a tensor h in R^{C times T times d}. Given embedding vector h_{c,t} in R^d at sequence position t le T in a sequence (or context) c le C, extracting the mean effects yields the decomposition \[ h_{c,t} = \mu + pos_t + ctx_c + resid_{c,t} \] where mu is the global mean vector, pos_t and ctx_c are the mean vectors across contexts and across positions respectively, and resid_{c,t} is the residual vector. For popular transformer architectures and diverse text datasets, empirically we find pervasive mathematical structure: (1) (pos_t)_{t} forms a low-dimensional, continuous, and often spiral shape across layers, (2) (ctx_c)_c shows clear cluster structure that falls into context topics, and (3) (pos_t)_{t} and (ctx_c)_c are mutually nearly orthogonal. We argue that smoothness is pervasive and beneficial to transformers trained on languages, and our decomposition leads to improved model interpretability.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

Informally, the 'linear representation hypothesis' is the idea that high-level concepts are represented linearly as directions in some representation space. In this paper, we address two closely related questions: What does "linear representation" actually mean? And, how do we make sense of geometric notions (e.g., cosine similarity or projection) in the representation space? To answer these, we use the language of counterfactuals to give two formalizations of "linear representation", one in the output (word) representation space, and one in the input (sentence) space. We then prove these connect to linear probing and model steering, respectively. To make sense of geometric notions, we use the formalization to identify a particular (non-Euclidean) inner product that respects language structure in a sense we make precise. Using this causal inner product, we show how to unify all notions of linear representation. In particular, this allows the construction of probes and steering vectors using counterfactual pairs. Experiments with LLaMA-2 demonstrate the existence of linear representations of concepts, the connection to interpretation and control, and the fundamental role of the choice of inner product.

Structure information is critical for understanding the semantics of text-rich images, such as documents, tables, and charts. Existing Multimodal Large Language Models (MLLMs) for Visual Document Understanding are equipped with text recognition ability but lack general structure understanding abilities for text-rich document images. In this work, we emphasize the importance of structure information in Visual Document Understanding and propose the Unified Structure Learning to boost the performance of MLLMs. Our Unified Structure Learning comprises structure-aware parsing tasks and multi-grained text localization tasks across 5 domains: document, webpage, table, chart, and natural image. To better encode structure information, we design a simple and effective vision-to-text module H-Reducer, which can not only maintain the layout information but also reduce the length of visual features by merging horizontal adjacent patches through convolution, enabling the LLM to understand high-resolution images more efficiently. Furthermore, by constructing structure-aware text sequences and multi-grained pairs of texts and bounding boxes for publicly available text-rich images, we build a comprehensive training set DocStruct4M to support structure learning. Finally, we construct a small but high-quality reasoning tuning dataset DocReason25K to trigger the detailed explanation ability in the document domain. Our model DocOwl 1.5 achieves state-of-the-art performance on 10 visual document understanding benchmarks, improving the SOTA performance of MLLMs with a 7B LLM by more than 10 points in 5/10 benchmarks. Our codes, models, and datasets are publicly available at https://github.com/X-PLUG/mPLUG-DocOwl/tree/main/DocOwl1.5.

Directed acyclic graphs (DAGs) encode a lot of information about a particular distribution in their structure. However, compute required to infer these structures is typically super-exponential in the number of variables, as inference requires a sweep of a combinatorially large space of potential structures. That is, until recent advances made it possible to search this space using a differentiable metric, drastically reducing search time. While this technique -- named NOTEARS -- is widely considered a seminal work in DAG-discovery, it concedes an important property in favour of differentiability: transportability. To be transportable, the structures discovered on one dataset must apply to another dataset from the same domain. We introduce D-Struct which recovers transportability in the discovered structures through a novel architecture and loss function while remaining fully differentiable. Because D-Struct remains differentiable, our method can be easily adopted in existing differentiable architectures, as was previously done with NOTEARS. In our experiments, we empirically validate D-Struct with respect to edge accuracy and structural Hamming distance in a variety of settings.

We present a novel application of category theory for deep learning. We show how category theory can be used to understand and work with the linear layer functions of group equivariant neural networks whose layers are some tensor power space of R^{n} for the groups S_n, O(n), Sp(n), and SO(n). By using category theoretic constructions, we build a richer structure that is not seen in the original formulation of these neural networks, leading to new insights. In particular, we outline the development of an algorithm for quickly computing the result of a vector that is passed through an equivariant, linear layer for each group in question. The success of our approach suggests that category theory could be beneficial for other areas of deep learning.

Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph representation learning. Specifically, constructing graphs that effectively capture the complete geometric information of crystals and handle chiral crystals remains an unsolved and challenging problem. In this paper, we introduce a novel approach that utilizes the periodic patterns of unit cells to establish the lattice-based representation for each atom, enabling efficient and expressive graph representations of crystals. Furthermore, we propose ComFormer, a SE(3) transformer designed specifically for crystalline materials. ComFormer includes two variants; namely, iComFormer that employs invariant geometric descriptors of Euclidean distances and angles, and eComFormer that utilizes equivariant vector representations. Experimental results demonstrate the state-of-the-art predictive accuracy of ComFormer variants on various tasks across three widely-used crystal benchmarks. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Complex chemical structures, like drugs, are usually defined by SMILES strings as a sequence of molecules and bonds. These SMILES strings are used in different complex machine learning-based drug-related research and representation works. Escaping from complex representation, in this work, we pose a single question: What if we treat drug SMILES as conventional sentences and engage in text classification for drug classification? Our experiments affirm the possibility with very competitive scores. The study explores the notion of viewing each atom and bond as sentence components, employing basic NLP methods to categorize drug types, proving that complex problems can also be solved with simpler perspectives. The data and code are available here: https://github.com/azminewasi/Drug-Classification-NLP.

Recent studies of two-view correspondence learning usually establish an end-to-end network to jointly predict correspondence reliability and relative pose. We improve such a framework from two aspects. First, we propose a Local Feature Consensus (LFC) plugin block to augment the features of existing models. Given a correspondence feature, the block augments its neighboring features with mutual neighborhood consensus and aggregates them to produce an enhanced feature. As inliers obey a uniform cross-view transformation and share more consistent learned features than outliers, feature consensus strengthens inlier correlation and suppresses outlier distraction, which makes output features more discriminative for classifying inliers/outliers. Second, existing approaches supervise network training with the ground truth correspondences and essential matrix projecting one image to the other for an input image pair, without considering the information from the reverse mapping. We extend existing models to a Siamese network with a reciprocal loss that exploits the supervision of mutual projection, which considerably promotes the matching performance without introducing additional model parameters. Building upon MSA-Net, we implement the two proposals and experimentally achieve state-of-the-art performance on benchmark datasets.

Vector Symbolic Architectures (VSAs) give a way to represent a complex object as a single fixed-length vector, so that similar objects have similar vector representations. These vector representations then become easy to use for machine learning or nearest-neighbor search. We review a previously proposed VSA method, MBAT (Matrix Binding of Additive Terms), which uses multiplication by random matrices for binding related terms. However, multiplying by such matrices introduces instabilities which can harm performance. Making the random matrices be orthogonal matrices provably fixes this problem. With respect to larger scale applications, we see how to apply MBAT vector representations for any data expressed in JSON. JSON is used in numerous programming languages to express complex data, but its native format appears highly unsuited for machine learning. Expressing JSON as a fixed-length vector makes it readily usable for machine learning and nearest-neighbor search. Creating such JSON vectors also shows that a VSA needs to employ binding operations that are non-commutative. VSAs are now ready to try with full-scale practical applications, including healthcare, pharmaceuticals, and genomics. Keywords: MBAT (Matrix Binding of Additive Terms), VSA (Vector Symbolic Architecture), HDC (Hyperdimensional Computing), Distributed Representations, Binding, Orthogonal Matrices, Recurrent Connections, Machine Learning, Search, JSON, VSA Applications

We develop information geometric techniques to understand the representations learned by deep networks when they are trained on different tasks using supervised, meta-, semi-supervised and contrastive learning. We shed light on the following phenomena that relate to the structure of the space of tasks: (1) the manifold of probabilistic models trained on different tasks using different representation learning methods is effectively low-dimensional; (2) supervised learning on one task results in a surprising amount of progress even on seemingly dissimilar tasks; progress on other tasks is larger if the training task has diverse classes; (3) the structure of the space of tasks indicated by our analysis is consistent with parts of the Wordnet phylogenetic tree; (4) episodic meta-learning algorithms and supervised learning traverse different trajectories during training but they fit similar models eventually; (5) contrastive and semi-supervised learning methods traverse trajectories similar to those of supervised learning. We use classification tasks constructed from the CIFAR-10 and Imagenet datasets to study these phenomena.

Sparse Autoencoders (SAEs) have emerged as a powerful framework for machine learning interpretability, enabling the unsupervised decomposition of model representations into a dictionary of abstract, human-interpretable concepts. However, we reveal a fundamental limitation: existing SAEs exhibit severe instability, as identical models trained on similar datasets can produce sharply different dictionaries, undermining their reliability as an interpretability tool. To address this issue, we draw inspiration from the Archetypal Analysis framework introduced by Cutler & Breiman (1994) and present Archetypal SAEs (A-SAE), wherein dictionary atoms are constrained to the convex hull of data. This geometric anchoring significantly enhances the stability of inferred dictionaries, and their mildly relaxed variants RA-SAEs further match state-of-the-art reconstruction abilities. To rigorously assess dictionary quality learned by SAEs, we introduce two new benchmarks that test (i) plausibility, if dictionaries recover "true" classification directions and (ii) identifiability, if dictionaries disentangle synthetic concept mixtures. Across all evaluations, RA-SAEs consistently yield more structured representations while uncovering novel, semantically meaningful concepts in large-scale vision models.

Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).

Standard clothing asset generation involves creating forward-facing flat-lay garment images displayed on a clear background by extracting clothing information from diverse real-world contexts, which presents significant challenges due to highly standardized sampling distributions and precise structural requirements in the generated images. Existing models have limited spatial perception and often exhibit structural hallucinations in this high-specification generative task. To address this issue, we propose a novel Retrieval-Augmented Generation (RAG) framework, termed RAGDiffusion, to enhance structure determinacy and mitigate hallucinations by assimilating external knowledge from LLM and databases. RAGDiffusion consists of two core processes: (1) Retrieval-based structure aggregation, which employs contrastive learning and a Structure Locally Linear Embedding (SLLE) to derive global structure and spatial landmarks, providing both soft and hard guidance to counteract structural ambiguities; and (2) Omni-level faithful garment generation, which introduces a three-level alignment that ensures fidelity in structural, pattern, and decoding components within the diffusing. Extensive experiments on challenging real-world datasets demonstrate that RAGDiffusion synthesizes structurally and detail-faithful clothing assets with significant performance improvements, representing a pioneering effort in high-specification faithful generation with RAG to confront intrinsic hallucinations and enhance fidelity.

We employ new tools from mechanistic interpretability in order to ask whether the internal structure of large language models (LLMs) shows correspondence to the linguistic structures which underlie the languages on which they are trained. In particular, we ask (1) when two languages employ the same morphosyntactic processes, do LLMs handle them using shared internal circuitry? and (2) when two languages require different morphosyntactic processes, do LLMs handle them using different internal circuitry? Using English and Chinese multilingual and monolingual models, we analyze the internal circuitry involved in two tasks. We find evidence that models employ the same circuit to handle the same syntactic process independently of the language in which it occurs, and that this is the case even for monolingual models trained completely independently. Moreover, we show that multilingual models employ language-specific components (attention heads and feed-forward networks) when needed to handle linguistic processes (e.g., morphological marking) that only exist in some languages. Together, our results provide new insights into how LLMs trade off between exploiting common structures and preserving linguistic differences when tasked with modeling multiple languages simultaneously.

Optics and lenses are abstract categorical gadgets that model systems with bidirectional data flow. In this paper we observe that the denotational definition of optics - identifying two optics as equivalent by observing their behaviour from the outside - is not suitable for operational, software oriented approaches where optics are not merely observed, but built with their internal setups in mind. We identify operational differences between denotationally isomorphic categories of cartesian optics and lenses: their different composition rule and corresponding space-time tradeoffs, positioning them at two opposite ends of a spectrum. With these motivations we lift the existing categorical constructions and their relationships to the 2-categorical level, showing that the relevant operational concerns become visible. We define the 2-category 2-Optic(C) whose 2-cells explicitly track optics' internal configuration. We show that the 1-category Optic(C) arises by locally quotienting out the connected components of this 2-category. We show that the embedding of lenses into cartesian optics gets weakened from a functor to an oplax functor whose oplaxator now detects the different composition rule. We determine the difficulties in showing this functor forms a part of an adjunction in any of the standard 2-categories. We establish a conjecture that the well-known isomorphism between cartesian lenses and optics arises out of the lax 2-adjunction between their double-categorical counterparts. In addition to presenting new research, this paper is also meant to be an accessible introduction to the topic.

We consider generalized homogeneous roofs, i.e. quotients of simply connected, semisimple Lie groups by a parabolic subgroup, which admit two projective bundle structures. Given a general hyperplane section on such a variety, we consider the zero loci of its pushforwards along the projective bundle structures and we discuss their properties at the level of Hodge structures. In the case of the flag variety F(1,2,n) with its projections to P^{n-1} and G(2, n), we construct a derived embedding of the relevant zero loci by methods based on the study of B-brane categories in the context of a gauged linear sigma model.

Deep learning optimizers are often motivated through a mix of convex and approximate second-order theory. We select three such methods -- Adam, Shampoo and Prodigy -- and argue that each method can instead be understood as a squarely first-order method without convexity assumptions. In fact, after switching off exponential moving averages, each method is equivalent to steepest descent under a particular norm. By generalizing this observation, we chart a new design space for training algorithms. Different operator norms should be assigned to different tensors based on the role that the tensor plays within the network. For example, while linear and embedding layers may have the same weight space of R^{mtimes n}, these layers play different roles and should be assigned different norms. We hope that this idea of carefully metrizing the neural architecture might lead to more stable, scalable and indeed faster training.

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.

The success of drug discovery and development relies on the precise prediction of molecular activities and properties. While in silico molecular property prediction has shown remarkable potential, its use has been limited so far to assays for which large amounts of data are available. In this study, we use a fine-tuned large language model to integrate biological assays based on their textual information, coupled with Barlow Twins, a Siamese neural network using a novel self-supervised learning approach. This architecture uses both assay information and molecular fingerprints to extract the true molecular information. TwinBooster enables the prediction of properties of unseen bioassays and molecules by providing state-of-the-art zero-shot learning tasks. Remarkably, our artificial intelligence pipeline shows excellent performance on the FS-Mol benchmark. This breakthrough demonstrates the application of deep learning to critical property prediction tasks where data is typically scarce. By accelerating the early identification of active molecules in drug discovery and development, this method has the potential to help streamline the identification of novel therapeutics.

Neural Architecture Search (NAS) has been increasingly appealing to the society of object Re-Identification (ReID), for that task-specific architectures significantly improve the retrieval performance. Previous works explore new optimizing targets and search spaces for NAS ReID, yet they neglect the difference of training schemes between image classification and ReID. In this work, we propose a novel Twins Contrastive Mechanism (TCM) to provide more appropriate supervision for ReID architecture search. TCM reduces the category overlaps between the training and validation data, and assists NAS in simulating real-world ReID training schemes. We then design a Multi-Scale Interaction (MSI) search space to search for rational interaction operations between multi-scale features. In addition, we introduce a Spatial Alignment Module (SAM) to further enhance the attention consistency confronted with images from different sources. Under the proposed NAS scheme, a specific architecture is automatically searched, named as MSINet. Extensive experiments demonstrate that our method surpasses state-of-the-art ReID methods on both in-domain and cross-domain scenarios. Source code available in https://github.com/vimar-gu/MSINet.

Given appropriate representations of the semantic relations between carpenter and wood and between mason and stone (for example, vectors in a vector space model), a suitable algorithm should be able to recognize that these relations are highly similar (carpenter is to wood as mason is to stone; the relations are analogous). Likewise, with representations of dog, house, and kennel, an algorithm should be able to recognize that the semantic composition of dog and house, dog house, is highly similar to kennel (dog house and kennel are synonymous). It seems that these two tasks, recognizing relations and compositions, are closely connected. However, up to now, the best models for relations are significantly different from the best models for compositions. In this paper, we introduce a dual-space model that unifies these two tasks. This model matches the performance of the best previous models for relations and compositions. The dual-space model consists of a space for measuring domain similarity and a space for measuring function similarity. Carpenter and wood share the same domain, the domain of carpentry. Mason and stone share the same domain, the domain of masonry. Carpenter and mason share the same function, the function of artisans. Wood and stone share the same function, the function of materials. In the composition dog house, kennel has some domain overlap with both dog and house (the domains of pets and buildings). The function of kennel is similar to the function of house (the function of shelters). By combining domain and function similarities in various ways, we can model relations, compositions, and other aspects of semantics.

The widespread use of large language models (LLMs) has sparked concerns about the potential misuse of AI-generated text, as these models can produce content that closely resembles human-generated text. Current detectors for AI-generated text (AIGT) lack robustness against adversarial perturbations, with even minor changes in characters or words causing a reversal in distinguishing between human-created and AI-generated text. This paper investigates the robustness of existing AIGT detection methods and introduces a novel detector, the Siamese Calibrated Reconstruction Network (SCRN). The SCRN employs a reconstruction network to add and remove noise from text, extracting a semantic representation that is robust to local perturbations. We also propose a siamese calibration technique to train the model to make equally confidence predictions under different noise, which improves the model's robustness against adversarial perturbations. Experiments on four publicly available datasets show that the SCRN outperforms all baseline methods, achieving 6.5\%-18.25\% absolute accuracy improvement over the best baseline method under adversarial attacks. Moreover, it exhibits superior generalizability in cross-domain, cross-genre, and mixed-source scenarios. The code is available at https://github.com/CarlanLark/Robust-AIGC-Detector.

Hyperdimensional computing (HDC) is a biologically-inspired framework which represents symbols with high-dimensional vectors, and uses vector operations to manipulate them. The ensemble of a particular vector space and a prescribed set of vector operations (including one addition-like for "bundling" and one outer-product-like for "binding") form a *vector symbolic architecture* (VSA). While VSAs have been employed in numerous applications and have been studied empirically, many theoretical questions about VSAs remain open. We analyze the *representation capacities* of four common VSAs: MAP-I, MAP-B, and two VSAs based on sparse binary vectors. "Representation capacity' here refers to bounds on the dimensions of the VSA vectors required to perform certain symbolic tasks, such as testing for set membership i in S and estimating set intersection sizes |X cap Y| for two sets of symbols X and Y, to a given degree of accuracy. We also analyze the ability of a novel variant of a Hopfield network (a simple model of associative memory) to perform some of the same tasks that are typically asked of VSAs. In addition to providing new bounds on VSA capacities, our analyses establish and leverage connections between VSAs, "sketching" (dimensionality reduction) algorithms, and Bloom filters.

We enhance the calculus of string diagrams for monoidal categories with hierarchical features in order to capture closed monoidal (and cartesian closed) structure. Using this new syntax we formulate an automatic differentiation algorithm for (applied) simply typed lambda calculus in the style of [Pearlmutter and Siskind 2008] and we prove for the first time its soundness. To give an efficient yet principled implementation of the AD algorithm we define a sound and complete representation of hierarchical string diagrams as a class of hierarchical hypergraphs we call hypernets.

We investigate compositional structures in data embeddings from pre-trained vision-language models (VLMs). Traditionally, compositionality has been associated with algebraic operations on embeddings of words from a pre-existing vocabulary. In contrast, we seek to approximate representations from an encoder as combinations of a smaller set of vectors in the embedding space. These vectors can be seen as "ideal words" for generating concepts directly within the embedding space of the model. We first present a framework for understanding compositional structures from a geometric perspective. We then explain what these compositional structures entail probabilistically in the case of VLM embeddings, providing intuitions for why they arise in practice. Finally, we empirically explore these structures in CLIP's embeddings and we evaluate their usefulness for solving different vision-language tasks such as classification, debiasing, and retrieval. Our results show that simple linear algebraic operations on embedding vectors can be used as compositional and interpretable methods for regulating the behavior of VLMs.

A supervised learning algorithm searches over a set of functions A to B parametrised by a space P to find the best approximation to some ideal function fcolon A to B. It does this by taking examples (a,f(a)) in Atimes B, and updating the parameter according to some rule. We define a category where these update rules may be composed, and show that gradient descent---with respect to a fixed step size and an error function satisfying a certain property---defines a monoidal functor from a category of parametrised functions to this category of update rules. This provides a structural perspective on backpropagation, as well as a broad generalisation of neural networks.

Protein language models are a powerful tool for learning protein representations through pre-training on vast protein sequence datasets. However, traditional protein language models lack explicit structural supervision, despite its relevance to protein function. To address this issue, we introduce the integration of remote homology detection to distill structural information into protein language models without requiring explicit protein structures as input. We evaluate the impact of this structure-informed training on downstream protein function prediction tasks. Experimental results reveal consistent improvements in function annotation accuracy for EC number and GO term prediction. Performance on mutant datasets, however, varies based on the relationship between targeted properties and protein structures. This underscores the importance of considering this relationship when applying structure-aware training to protein function prediction tasks. Code and model weights are available at https://github.com/DeepGraphLearning/esm-s.

This paper proposes a novel self-supervised learning method for learning better representations with small batch sizes. Many self-supervised learning methods based on certain forms of the siamese network have emerged and received significant attention. However, these methods need to use large batch sizes to learn good representations and require heavy computational resources. We present a new triplet network combined with a triple-view loss to improve the performance of self-supervised representation learning with small batch sizes. Experimental results show that our method can drastically outperform state-of-the-art self-supervised learning methods on several datasets in small-batch cases. Our method provides a feasible solution for self-supervised learning with real-world high-resolution images that uses small batch sizes.

Recent years have witnessed the great success of graph pre-training for graph representation learning. With hundreds of graph pre-training tasks proposed, integrating knowledge acquired from multiple pre-training tasks has become a popular research topic. In this paper, we identify two important collaborative processes for this topic: (1) select: how to select an optimal task combination from a given task pool based on their compatibility, and (2) weigh: how to weigh the selected tasks based on their importance. While there currently has been a lot of work focused on weighing, comparatively little effort has been devoted to selecting. This paper proposes a novel instance-level framework for integrating multiple graph pre-training tasks, Weigh And Select (WAS), where the two collaborative processes, weighing and selecting, are combined by decoupled siamese networks. Specifically, it first adaptively learns an optimal combination of tasks for each instance from a given task pool, based on which a customized instance-level task weighing strategy is learned. Extensive experiments on 16 graph datasets across node-level and graph-level downstream tasks have demonstrated that by combining a few simple but classical tasks, WAS can achieve comparable performance to other leading counterparts. The code is available at https://github.com/TianyuFan0504/WAS.