Daily Papers

In this paper, we propose a new class of metric for table structure recognition (TSR) evaluation, called grid table similarity (GriTS). Unlike prior metrics, GriTS evaluates the correctness of a predicted table directly in its natural form as a matrix. To create a similarity measure between matrices, we generalize the two-dimensional largest common substructure (2D-LCS) problem, which is NP-hard, to the 2D most similar substructures (2D-MSS) problem and propose a polynomial-time heuristic for solving it. This algorithm produces both an upper and a lower bound on the true similarity between matrices. We show using evaluation on a large real-world dataset that in practice there is almost no difference between these bounds. We compare GriTS to other metrics and empirically validate that matrix similarity exhibits more desirable behavior than alternatives for TSR performance evaluation. Finally, GriTS unifies all three subtasks of cell topology recognition, cell location recognition, and cell content recognition within the same framework, which simplifies the evaluation and enables more meaningful comparisons across different types of TSR approaches. Code will be released at https://github.com/microsoft/table-transformer.

Large Language Models (LLMs) suffer from huge number of parameters, which restricts their deployment on edge devices. Weight sharing is one promising solution that encourages weight reuse, effectively reducing memory usage with less performance drop. However, current weight sharing techniques primarily focus on small-scale models like BERT and employ coarse-grained sharing rules, e.g., layer-wise. This becomes limiting given the prevalence of LLMs and sharing an entire layer or block obviously diminishes the flexibility of weight sharing. In this paper, we present a perspective on $textbf{head-wise shareable attention for large language models}. We further propose two memory-efficient methods that share parameters across attention heads, with a specific focus on LLMs. Both of them use the same dynamic strategy to select the shared weight matrices. The first method directly reuses the pre-trained weights without retraining, denoted as DirectShare. The second method first post-trains with constraint on weight matrix similarity and then shares, denoted as PostShare$. Experimental results reveal our head-wise shared models still maintain satisfactory capabilities, demonstrating the feasibility of fine-grained weight sharing applied to LLMs.

It has recently been discovered that using a pre-trained vision-language model (VLM), e.g., CLIP, to align a whole query image with several finer text descriptions generated by a large language model can significantly enhance zero-shot performance. However, in this paper, we empirically find that the finer descriptions tend to align more effectively with local areas of the query image rather than the whole image, and then we theoretically validate this finding. Thus, we present a method called weighted visual-text cross alignment (WCA). This method begins with a localized visual prompting technique, designed to identify local visual areas within the query image. The local visual areas are then cross-aligned with the finer descriptions by creating a similarity matrix using the pre-trained VLM. To determine how well a query image aligns with each category, we develop a score function based on the weighted similarities in this matrix. Extensive experiments demonstrate that our method significantly improves zero-shot performance across various datasets, achieving results that are even comparable to few-shot learning methods.

We present FastRP, a scalable and performant algorithm for learning distributed node representations in a graph. FastRP is over 4,000 times faster than state-of-the-art methods such as DeepWalk and node2vec, while achieving comparable or even better performance as evaluated on several real-world networks on various downstream tasks. We observe that most network embedding methods consist of two components: construct a node similarity matrix and then apply dimension reduction techniques to this matrix. We show that the success of these methods should be attributed to the proper construction of this similarity matrix, rather than the dimension reduction method employed. FastRP is proposed as a scalable algorithm for network embeddings. Two key features of FastRP are: 1) it explicitly constructs a node similarity matrix that captures transitive relationships in a graph and normalizes matrix entries based on node degrees; 2) it utilizes very sparse random projection, which is a scalable optimization-free method for dimension reduction. An extra benefit from combining these two design choices is that it allows the iterative computation of node embeddings so that the similarity matrix need not be explicitly constructed, which further speeds up FastRP. FastRP is also advantageous for its ease of implementation, parallelization and hyperparameter tuning. The source code is available at https://github.com/GTmac/FastRP.

Embodied tasks require the agent to fully understand 3D scenes simultaneously with its exploration, so an online, real-time, fine-grained and highly-generalized 3D perception model is desperately needed. Since high-quality 3D data is limited, directly training such a model in 3D is almost infeasible. Meanwhile, vision foundation models (VFM) has revolutionized the field of 2D computer vision with superior performance, which makes the use of VFM to assist embodied 3D perception a promising direction. However, most existing VFM-assisted 3D perception methods are either offline or too slow that cannot be applied in practical embodied tasks. In this paper, we aim to leverage Segment Anything Model (SAM) for real-time 3D instance segmentation in an online setting. This is a challenging problem since future frames are not available in the input streaming RGB-D video, and an instance may be observed in several frames so object matching between frames is required. To address these challenges, we first propose a geometric-aware query lifting module to represent the 2D masks generated by SAM by 3D-aware queries, which is then iteratively refined by a dual-level query decoder. In this way, the 2D masks are transferred to fine-grained shapes on 3D point clouds. Benefit from the query representation for 3D masks, we can compute the similarity matrix between the 3D masks from different views by efficient matrix operation, which enables real-time inference. Experiments on ScanNet, ScanNet200, SceneNN and 3RScan show our method achieves leading performance even compared with offline methods. Our method also demonstrates great generalization ability in several zero-shot dataset transferring experiments and show great potential in open-vocabulary and data-efficient setting. Code and demo are available at https://xuxw98.github.io/ESAM/, with only one RTX 3090 GPU required for training and evaluation.

In this paper, we propose a learning-based image fragment pair-searching and -matching approach to solve the challenging restoration problem. Existing works use rule-based methods to match similar contour shapes or textures, which are always difficult to tune hyperparameters for extensive data and computationally time-consuming. Therefore, we propose a neural network that can effectively utilize neighbor textures with contour shape information to fundamentally improve performance. First, we employ a graph-based network to extract the local contour and texture features of fragments. Then, for the pair-searching task, we adopt a linear transformer-based module to integrate these local features and use contrastive loss to encode the global features of each fragment. For the pair-matching task, we design a weighted fusion module to dynamically fuse extracted local contour and texture features, and formulate a similarity matrix for each pair of fragments to calculate the matching score and infer the adjacent segment of contours. To faithfully evaluate our proposed network, we created a new image fragment dataset through an algorithm we designed that tears complete images into irregular fragments. The experimental results show that our proposed network achieves excellent pair-searching accuracy, reduces matching errors, and significantly reduces computational time. Details, sourcecode, and data are available in our supplementary material.

A central challenge of video prediction lies where the system has to reason the objects' future motions from image frames while simultaneously maintaining the consistency of their appearances across frames. This work introduces an end-to-end trainable two-stream video prediction framework, Motion-Matrix-based Video Prediction (MMVP), to tackle this challenge. Unlike previous methods that usually handle motion prediction and appearance maintenance within the same set of modules, MMVP decouples motion and appearance information by constructing appearance-agnostic motion matrices. The motion matrices represent the temporal similarity of each and every pair of feature patches in the input frames, and are the sole input of the motion prediction module in MMVP. This design improves video prediction in both accuracy and efficiency, and reduces the model size. Results of extensive experiments demonstrate that MMVP outperforms state-of-the-art systems on public data sets by non-negligible large margins (about 1 db in PSNR, UCF Sports) in significantly smaller model sizes (84% the size or smaller).

Efficient k-nearest neighbor search is a fundamental task, foundational for many problems in NLP. When the similarity is measured by dot-product between dual-encoder vectors or ell_2-distance, there already exist many scalable and efficient search methods. But not so when similarity is measured by more accurate and expensive black-box neural similarity models, such as cross-encoders, which jointly encode the query and candidate neighbor. The cross-encoders' high computational cost typically limits their use to reranking candidates retrieved by a cheaper model, such as dual encoder or TF-IDF. However, the accuracy of such a two-stage approach is upper-bounded by the recall of the initial candidate set, and potentially requires additional training to align the auxiliary retrieval model with the cross-encoder model. In this paper, we present an approach that avoids the use of a dual-encoder for retrieval, relying solely on the cross-encoder. Retrieval is made efficient with CUR decomposition, a matrix decomposition approach that approximates all pairwise cross-encoder distances from a small subset of rows and columns of the distance matrix. Indexing items using our approach is computationally cheaper than training an auxiliary dual-encoder model through distillation. Empirically, for k > 10, our approach provides test-time recall-vs-computational cost trade-offs superior to the current widely-used methods that re-rank items retrieved using a dual-encoder or TF-IDF.

Continual learning (CL) is a setting in which an agent has to learn from an incoming stream of data during its entire lifetime. Although major advances have been made in the field, one recurring problem which remains unsolved is that of Catastrophic Forgetting (CF). While the issue has been extensively studied empirically, little attention has been paid from a theoretical angle. In this paper, we show that the impact of CF increases as two tasks increasingly align. We introduce a measure of task similarity called the NTK overlap matrix which is at the core of CF. We analyze common projected gradient algorithms and demonstrate how they mitigate forgetting. Then, we propose a variant of Orthogonal Gradient Descent (OGD) which leverages structure of the data through Principal Component Analysis (PCA). Experiments support our theoretical findings and show how our method can help reduce CF on classical CL datasets.

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.

The discrete cosine transform (DCT) is a central tool for image and video coding because it can be related to the Karhunen-Lo\`eve transform (KLT), which is the optimal transform in terms of retained transform coefficients and data decorrelation. In this paper, we introduce 16-, 32-, and 64-point low-complexity DCT approximations by minimizing individually the angle between the rows of the exact DCT matrix and the matrix induced by the approximate transforms. According to some classical figures of merit, the proposed transforms outperformed the approximations for the DCT already known in the literature. Fast algorithms were also developed for the low-complexity transforms, asserting a good balance between the performance and its computational cost. Practical applications in image encoding showed the relevance of the transforms in this context. In fact, the experiments showed that the proposed transforms had better results than the known approximations in the literature for the cases of 16, 32, and 64 blocklength.

Diversity is an important criterion for many areas of machine learning (ML), including generative modeling and dataset curation. Yet little work has gone into understanding, formalizing, and measuring diversity in ML. In this paper, we address the diversity evaluation problem by proposing the Vendi Score, which connects and extends ideas from ecology and quantum statistical mechanics to ML. The Vendi Score is defined as the exponential of the Shannon entropy of the eigenvalues of a similarity matrix. This matrix is induced by a user-defined similarity function applied to the sample to be evaluated for diversity. In taking a similarity function as input, the Vendi Score enables its user to specify any desired form of diversity. Importantly, unlike many existing metrics in ML, the Vendi Score doesn't require a reference dataset or distribution over samples or labels, it is therefore general and applicable to any generative model, decoding algorithm, and dataset from any domain where similarity can be defined. We showcased the Vendi Score on molecular generative modeling, a domain where diversity plays an important role in enabling the discovery of novel molecules. We found that the Vendi Score addresses shortcomings of the current diversity metric of choice in that domain. We also applied the Vendi Score to generative models of images and decoding algorithms of text and found it confirms known results about diversity in those domains. Furthermore, we used the Vendi Score to measure mode collapse, a known limitation of generative adversarial networks (GANs). In particular, the Vendi Score revealed that even GANs that capture all the modes of a labeled dataset can be less diverse than the original dataset. Finally, the interpretability of the Vendi Score allowed us to diagnose several benchmark ML datasets for diversity, opening the door for diversity-informed data augmentation.

Transformers based on the attention mechanism have achieved impressive success in various areas. However, the attention mechanism has a quadratic complexity, significantly impeding Transformers from dealing with numerous tokens and scaling up to bigger models. Previous methods mainly utilize the similarity decomposition and the associativity of matrix multiplication to devise linear-time attention mechanisms. They avoid degeneration of attention to a trivial distribution by reintroducing inductive biases such as the locality, thereby at the expense of model generality and expressiveness. In this paper, we linearize Transformers free from specific inductive biases based on the flow network theory. We cast attention as the information flow aggregated from the sources (values) to the sinks (results) through the learned flow capacities (attentions). Within this framework, we apply the property of flow conservation into attention and propose the Flow-Attention mechanism of linear complexity. By respectively conserving the incoming flow of sinks for source competition and the outgoing flow of sources for sink allocation, Flow-Attention inherently generates informative attentions without using specific inductive biases. Empowered by the Flow-Attention, Flowformer yields strong performance in linear time for wide areas, including long sequence, time series, vision, natural language, and reinforcement learning. The code and settings are available at this repository: https://github.com/thuml/Flowformer.

Vision transformers (ViTs) have pushed the state-of-the-art for visual perception tasks. The self-attention mechanism underpinning the strength of ViTs has a quadratic complexity in both computation and memory usage. This motivates the development of approximating the self-attention at linear complexity. However, an in-depth analysis in this work reveals that existing methods are either theoretically flawed or empirically ineffective for visual recognition. We identify that their limitations are rooted in the inheritance of softmax-based self-attention during approximations, that is, normalizing the scaled dot-product between token feature vectors using the softmax function. As preserving the softmax operation challenges any subsequent linearization efforts. By this insight, a family of Softmax-Free Transformers (SOFT) are proposed. Specifically, a Gaussian kernel function is adopted to replace the dot-product similarity, enabling a full self-attention matrix to be approximated under low-rank matrix decomposition. For computational robustness, we estimate the Moore-Penrose inverse using an iterative Newton-Raphson method in the forward process only, while calculating its theoretical gradients only once in the backward process. To further expand applicability (e.g., dense prediction tasks), an efficient symmetric normalization technique is introduced. Extensive experiments on ImageNet, COCO, and ADE20K show that our SOFT significantly improves the computational efficiency of existing ViT variants. With linear complexity, much longer token sequences are permitted by SOFT, resulting in superior trade-off between accuracy and complexity. Code and models are available at https://github.com/fudan-zvg/SOFT.

Single hyperspectral image super-resolution (single-HSI-SR) aims to restore a high-resolution hyperspectral image from a low-resolution observation. However, the prevailing CNN-based approaches have shown limitations in building long-range dependencies and capturing interaction information between spectral features. This results in inadequate utilization of spectral information and artifacts after upsampling. To address this issue, we propose ESSAformer, an ESSA attention-embedded Transformer network for single-HSI-SR with an iterative refining structure. Specifically, we first introduce a robust and spectral-friendly similarity metric, \ie, the spectral correlation coefficient of the spectrum (SCC), to replace the original attention matrix and incorporates inductive biases into the model to facilitate training. Built upon it, we further utilize the kernelizable attention technique with theoretical support to form a novel efficient SCC-kernel-based self-attention (ESSA) and reduce attention computation to linear complexity. ESSA enlarges the receptive field for features after upsampling without bringing much computation and allows the model to effectively utilize spatial-spectral information from different scales, resulting in the generation of more natural high-resolution images. Without the need for pretraining on large-scale datasets, our experiments demonstrate ESSA's effectiveness in both visual quality and quantitative results.

Unlabeled data is a key component of modern machine learning. In general, the role of unlabeled data is to impose a form of smoothness, usually from the similarity information encoded in a base kernel, such as the epsilon-neighbor kernel or the adjacency matrix of a graph. This work revisits the classical idea of spectrally transformed kernel regression (STKR), and provides a new class of general and scalable STKR estimators able to leverage unlabeled data. Intuitively, via spectral transformation, STKR exploits the data distribution for which unlabeled data can provide additional information. First, we show that STKR is a principled and general approach, by characterizing a universal type of "target smoothness", and proving that any sufficiently smooth function can be learned by STKR. Second, we provide scalable STKR implementations for the inductive setting and a general transformation function, while prior work is mostly limited to the transductive setting. Third, we derive statistical guarantees for two scenarios: STKR with a known polynomial transformation, and STKR with kernel PCA when the transformation is unknown. Overall, we believe that this work helps deepen our understanding of how to work with unlabeled data, and its generality makes it easier to inspire new methods.

Cosine-similarity is the cosine of the angle between two vectors, or equivalently the dot product between their normalizations. A popular application is to quantify semantic similarity between high-dimensional objects by applying cosine-similarity to a learned low-dimensional feature embedding. This can work better but sometimes also worse than the unnormalized dot-product between embedded vectors in practice. To gain insight into this empirical observation, we study embeddings derived from regularized linear models, where closed-form solutions facilitate analytical insights. We derive analytically how cosine-similarity can yield arbitrary and therefore meaningless `similarities.' For some linear models the similarities are not even unique, while for others they are implicitly controlled by the regularization. We discuss implications beyond linear models: a combination of different regularizations are employed when learning deep models; these have implicit and unintended effects when taking cosine-similarities of the resulting embeddings, rendering results opaque and possibly arbitrary. Based on these insights, we caution against blindly using cosine-similarity and outline alternatives.

Many learning algorithms such as kernel machines, nearest neighbors, clustering, or anomaly detection, are based on the concept of 'distance' or 'similarity'. Before similarities are used for training an actual machine learning model, we would like to verify that they are bound to meaningful patterns in the data. In this paper, we propose to make similarities interpretable by augmenting them with an explanation in terms of input features. We develop BiLRP, a scalable and theoretically founded method to systematically decompose similarity scores on pairs of input features. Our method can be expressed as a composition of LRP explanations, which were shown in previous works to scale to highly nonlinear functions. Through an extensive set of experiments, we demonstrate that BiLRP robustly explains complex similarity models, e.g. built on VGG-16 deep neural network features. Additionally, we apply our method to an open problem in digital humanities: detailed assessment of similarity between historical documents such as astronomical tables. Here again, BiLRP provides insight and brings verifiability into a highly engineered and problem-specific similarity model.

Recommendation is the task of ranking items (e.g. movies or products) according to individual user needs. Current systems rely on collaborative filtering and content-based techniques, which both require structured training data. We propose a framework for recommendation with off-the-shelf pretrained language models (LM) that only used unstructured text corpora as training data. If a user u liked Matrix and Inception, we construct a textual prompt, e.g. "Movies like Matrix, Inception, {<m{>}"} to estimate the affinity between u and m with LM likelihood. We motivate our idea with a corpus analysis, evaluate several prompt structures, and we compare LM-based recommendation with standard matrix factorization trained on different data regimes. The code for our experiments is publicly available (https://colab.research.google.com/drive/1f1mlZ-FGaLGdo5rPzxf3vemKllbh2esT?usp=sharing).

Similarity search finds application in specialized database systems handling complex data such as images or videos, which are typically represented by high-dimensional features and require specific indexing structures. This paper tackles the problem of better utilizing GPUs for this task. While GPUs excel at data-parallel tasks, prior approaches are bottlenecked by algorithms that expose less parallelism, such as k-min selection, or make poor use of the memory hierarchy. We propose a design for k-selection that operates at up to 55% of theoretical peak performance, enabling a nearest neighbor implementation that is 8.5x faster than prior GPU state of the art. We apply it in different similarity search scenarios, by proposing optimized design for brute-force, approximate and compressed-domain search based on product quantization. In all these setups, we outperform the state of the art by large margins. Our implementation enables the construction of a high accuracy k-NN graph on 95 million images from the Yfcc100M dataset in 35 minutes, and of a graph connecting 1 billion vectors in less than 12 hours on 4 Maxwell Titan X GPUs. We have open-sourced our approach for the sake of comparison and reproducibility.

The choice of embedding model is a crucial step in the design of Retrieval Augmented Generation (RAG) systems. Given the sheer volume of available options, identifying clusters of similar models streamlines this model selection process. Relying solely on benchmark performance scores only allows for a weak assessment of model similarity. Thus, in this study, we evaluate the similarity of embedding models within the context of RAG systems. Our assessment is two-fold: We use Centered Kernel Alignment to compare embeddings on a pair-wise level. Additionally, as it is especially pertinent to RAG systems, we evaluate the similarity of retrieval results between these models using Jaccard and rank similarity. We compare different families of embedding models, including proprietary ones, across five datasets from the popular Benchmark Information Retrieval (BEIR). Through our experiments we identify clusters of models corresponding to model families, but interestingly, also some inter-family clusters. Furthermore, our analysis of top-k retrieval similarity reveals high-variance at low k values. We also identify possible open-source alternatives to proprietary models, with Mistral exhibiting the highest similarity to OpenAI models.

Similarity is a comparative-subjective measure that varies with the domain within which it is considered. In several NLP applications such as document classification, pattern recognition, chatbot question-answering, sentiment analysis, etc., identifying an accurate similarity score for sentence pairs has become a crucial area of research. In the existing models that assess similarity, the limitation of effectively computing this similarity based on contextual comparisons, the localization due to the centering theory, and the lack of non-semantic textual comparisons have proven to be drawbacks. Hence, this paper presents a multi-layered semantic similarity network model built upon multiple similarity measures that render an overall sentence similarity score based on the principles of Network Science, neighboring weighted relational edges, and a proposed extended node similarity computation formula. The proposed multi-layered network model was evaluated and tested against established state-of-the-art models and is shown to have demonstrated better performance scores in assessing sentence similarity.

Learning similarity is a key aspect in medical image analysis, particularly in recommendation systems or in uncovering the interpretation of anatomical data in images. Most existing methods learn such similarities in the embedding space over image sets using a single metric learner. Images, however, have a variety of object attributes such as color, shape, or artifacts. Encoding such attributes using a single metric learner is inadequate and may fail to generalize. Instead, multiple learners could focus on separate aspects of these attributes in subspaces of an overarching embedding. This, however, implies the number of learners to be found empirically for each new dataset. This work, Dynamic Subspace Learners, proposes to dynamically exploit multiple learners by removing the need of knowing apriori the number of learners and aggregating new subspace learners during training. Furthermore, the visual interpretability of such subspace learning is enforced by integrating an attention module into our method. This integrated attention mechanism provides a visual insight of discriminative image features that contribute to the clustering of image sets and a visual explanation of the embedding features. The benefits of our attention-based dynamic subspace learners are evaluated in the application of image clustering, image retrieval, and weakly supervised segmentation. Our method achieves competitive results with the performances of multiple learners baselines and significantly outperforms the classification network in terms of clustering and retrieval scores on three different public benchmark datasets. Moreover, our attention maps offer a proxy-labels, which improves the segmentation accuracy up to 15% in Dice scores when compared to state-of-the-art interpretation techniques.

We present Submatrix-wise Vector Embedding Learner (Swivel), a method for generating low-dimensional feature embeddings from a feature co-occurrence matrix. Swivel performs approximate factorization of the point-wise mutual information matrix via stochastic gradient descent. It uses a piecewise loss with special handling for unobserved co-occurrences, and thus makes use of all the information in the matrix. While this requires computation proportional to the size of the entire matrix, we make use of vectorized multiplication to process thousands of rows and columns at once to compute millions of predicted values. Furthermore, we partition the matrix into shards in order to parallelize the computation across many nodes. This approach results in more accurate embeddings than can be achieved with methods that consider only observed co-occurrences, and can scale to much larger corpora than can be handled with sampling methods.

Nowadays, data is represented by vectors. Retrieving those vectors, among millions and billions, that are similar to a given query is a ubiquitous problem, known as similarity search, of relevance for a wide range of applications. Graph-based indices are currently the best performing techniques for billion-scale similarity search. However, their random-access memory pattern presents challenges to realize their full potential. In this work, we present new techniques and systems for creating faster and smaller graph-based indices. To this end, we introduce a novel vector compression method, Locally-adaptive Vector Quantization (LVQ), that uses per-vector scaling and scalar quantization to improve search performance with fast similarity computations and a reduced effective bandwidth, while decreasing memory footprint and barely impacting accuracy. LVQ, when combined with a new high-performance computing system for graph-based similarity search, establishes the new state of the art in terms of performance and memory footprint. For billions of vectors, LVQ outcompetes the second-best alternatives: (1) in the low-memory regime, by up to 20.7x in throughput with up to a 3x memory footprint reduction, and (2) in the high-throughput regime by 5.8x with 1.4x less memory.

Model merging integrates the weights of multiple task-specific models into a single multi-task model. Despite recent interest in the problem, a significant performance gap between the combined and single-task models remains. In this paper, we investigate the key characteristics of task matrices -- weight update matrices applied to a pre-trained model -- that enable effective merging. We show that alignment between singular components of task-specific and merged matrices strongly correlates with performance improvement over the pre-trained model. Based on this, we propose an isotropic merging framework that flattens the singular value spectrum of task matrices, enhances alignment, and reduces the performance gap. Additionally, we incorporate both common and task-specific subspaces to further improve alignment and performance. Our proposed approach achieves state-of-the-art performance across multiple scenarios, including various sets of tasks and model scales. This work advances the understanding of model merging dynamics, offering an effective methodology to merge models without requiring additional training. Code is available at https://github.com/danielm1405/iso-merging .

Analyzing the pattern of semantic variation in long real-world texts such as books or transcripts is interesting from the stylistic, cognitive, and linguistic perspectives. It is also useful for applications such as text segmentation, document summarization, and detection of semantic novelty. The recent emergence of several vector-space methods for sentence embedding has made such analysis feasible. However, this raises the issue of how consistent and meaningful the semantic representations produced by various methods are in themselves. In this paper, we compare several recent sentence embedding methods via time-series of semantic similarity between successive sentences and matrices of pairwise sentence similarity for multiple books of literature. In contrast to previous work using target tasks and curated datasets to compare sentence embedding methods, our approach provides an evaluation of the methods 'in the wild'. We find that most of the sentence embedding methods considered do infer highly correlated patterns of semantic similarity in a given document, but show interesting differences.

Quantifying the similarity between two mathematical structures or datasets constitutes a particularly interesting and useful operation in several theoretical and applied problems. Aimed at this specific objective, the Jaccard index has been extensively used in the most diverse types of problems, also motivating some respective generalizations. The present work addresses further generalizations of this index, including its modification into a coincidence index capable of accounting also for the level of relative interiority between the two compared entities, as well as respective extensions for sets in continuous vector spaces, the generalization to multiset addition, densities and generic scalar fields, as well as a means to quantify the joint interdependence between two random variables. The also interesting possibility to take into account more than two sets has also been addressed, including the description of an index capable of quantifying the level of chaining between three structures. Several of the described and suggested eneralizations have been illustrated with respect to numeric case examples. It is also posited that these indices can play an important role while analyzing and integrating datasets in modeling approaches and pattern recognition activities, including as a measurement of clusters similarity or separation and as a resource for representing and analyzing complex networks.

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.

We consider a deep matrix factorization model of covariance matrices trained with the Bures-Wasserstein distance. While recent works have made important advances in the study of the optimization problem for overparametrized low-rank matrix approximation, much emphasis has been placed on discriminative settings and the square loss. In contrast, our model considers another interesting type of loss and connects with the generative setting. We characterize the critical points and minimizers of the Bures-Wasserstein distance over the space of rank-bounded matrices. For low-rank matrices the Hessian of this loss can theoretically blow up, which creates challenges to analyze convergence of optimizaton methods. We establish convergence results for gradient flow using a smooth perturbative version of the loss and convergence results for finite step size gradient descent under certain assumptions on the initial weights.

Vectors are universal mathematical objects that can represent text, images, speech, or a mix of these data modalities. That happens regardless of whether data is represented by hand-crafted features or learnt embeddings. Collect a large enough quantity of such vectors and the question of retrieval becomes urgently relevant: Finding vectors that are more similar to a query vector. This monograph is concerned with the question above and covers fundamental concepts along with advanced data structures and algorithms for vector retrieval. In doing so, it recaps this fascinating topic and lowers barriers of entry into this rich area of research.

This study explores the concept of equivariance in vision-language foundation models (VLMs), focusing specifically on the multimodal similarity function that is not only the major training objective but also the core delivery to support downstream tasks. Unlike the existing image-text similarity objective which only categorizes matched pairs as similar and unmatched pairs as dissimilar, equivariance also requires similarity to vary faithfully according to the semantic changes. This allows VLMs to generalize better to nuanced and unseen multimodal compositions. However, modeling equivariance is challenging as the ground truth of semantic change is difficult to collect. For example, given an image-text pair about a dog, it is unclear to what extent the similarity changes when the pixel is changed from dog to cat? To this end, we propose EqSim, a regularization loss that can be efficiently calculated from any two matched training pairs and easily pluggable into existing image-text retrieval fine-tuning. Meanwhile, to further diagnose the equivariance of VLMs, we present a new challenging benchmark EqBen. Compared to the existing evaluation sets, EqBen is the first to focus on "visual-minimal change". Extensive experiments show the lack of equivariance in current VLMs and validate the effectiveness of EqSim. Code is available at https://github.com/Wangt-CN/EqBen.

We argue that there are many notions of 'similarity' and that models, like humans, should be able to adapt to these dynamically. This contrasts with most representation learning methods, supervised or self-supervised, which learn a fixed embedding function and hence implicitly assume a single notion of similarity. For instance, models trained on ImageNet are biased towards object categories, while a user might prefer the model to focus on colors, textures or specific elements in the scene. In this paper, we propose the GeneCIS ('genesis') benchmark, which measures models' ability to adapt to a range of similarity conditions. Extending prior work, our benchmark is designed for zero-shot evaluation only, and hence considers an open-set of similarity conditions. We find that baselines from powerful CLIP models struggle on GeneCIS and that performance on the benchmark is only weakly correlated with ImageNet accuracy, suggesting that simply scaling existing methods is not fruitful. We further propose a simple, scalable solution based on automatically mining information from existing image-caption datasets. We find our method offers a substantial boost over the baselines on GeneCIS, and further improves zero-shot performance on related image retrieval benchmarks. In fact, though evaluated zero-shot, our model surpasses state-of-the-art supervised models on MIT-States. Project page at https://sgvaze.github.io/genecis/.

In contrastive learning, two views of an original image, generated by different augmentations, are considered a positive pair, and their similarity is required to be high. Similarly, two views of distinct images form a negative pair, with encouraged low similarity. Typically, a single similarity measure, provided by a lone projection head, evaluates positive and negative sample pairs. However, due to diverse augmentation strategies and varying intra-sample similarity, views from the same image may not always be similar. Additionally, owing to inter-sample similarity, views from different images may be more akin than those from the same image. Consequently, enforcing high similarity for positive pairs and low similarity for negative pairs may be unattainable, and in some cases, such enforcement could detrimentally impact performance. To address this challenge, we propose using multiple projection heads, each producing a distinct set of features. Our pre-training loss function emerges from a solution to the maximum likelihood estimation over head-wise posterior distributions of positive samples given observations. This loss incorporates the similarity measure over positive and negative pairs, each re-weighted by an individual adaptive temperature, regulated to prevent ill solutions. Our approach, Adaptive Multi-Head Contrastive Learning (AMCL), can be applied to and experimentally enhances several popular contrastive learning methods such as SimCLR, MoCo, and Barlow Twins. The improvement remains consistent across various backbones and linear probing epochs, and becomes more significant when employing multiple augmentation methods.

The use of the structural similarity index (SSIM) is widespread. For almost two decades, it has played a major role in image quality assessment in many different research disciplines. Clearly, its merits are indisputable in the research community. However, little deep scrutiny of this index has been performed. Contrary to popular belief, there are some interesting properties of SSIM that merit such scrutiny. In this paper, we analyze the mathematical factors of SSIM and show that it can generate results, in both synthetic and realistic use cases, that are unexpected, sometimes undefined, and nonintuitive. As a consequence, assessing image quality based on SSIM can lead to incorrect conclusions and using SSIM as a loss function for deep learning can guide neural network training in the wrong direction.

Similarity metrics such as representational similarity analysis (RSA) and centered kernel alignment (CKA) have been used to compare layer-wise representations between neural networks. However, these metrics are confounded by the population structure of data items in the input space, leading to spuriously high similarity for even completely random neural networks and inconsistent domain relations in transfer learning. We introduce a simple and generally applicable fix to adjust for the confounder with covariate adjustment regression, which retains the intuitive invariance properties of the original similarity measures. We show that deconfounding the similarity metrics increases the resolution of detecting semantically similar neural networks. Moreover, in real-world applications, deconfounding improves the consistency of representation similarities with domain similarities in transfer learning, and increases correlation with out-of-distribution accuracy.

Traditional document similarity measures provide a coarse-grained distinction between similar and dissimilar documents. Typically, they do not consider in what aspects two documents are similar. This limits the granularity of applications like recommender systems that rely on document similarity. In this paper, we extend similarity with aspect information by performing a pairwise document classification task. We evaluate our aspect-based document similarity for research papers. Paper citations indicate the aspect-based similarity, i.e., the section title in which a citation occurs acts as a label for the pair of citing and cited paper. We apply a series of Transformer models such as RoBERTa, ELECTRA, XLNet, and BERT variations and compare them to an LSTM baseline. We perform our experiments on two newly constructed datasets of 172,073 research paper pairs from the ACL Anthology and CORD-19 corpus. Our results show SciBERT as the best performing system. A qualitative examination validates our quantitative results. Our findings motivate future research of aspect-based document similarity and the development of a recommender system based on the evaluated techniques. We make our datasets, code, and trained models publicly available.

Quantifying similarity between neural representations -- e.g. hidden layer activation vectors -- is a perennial problem in deep learning and neuroscience research. Existing methods compare deterministic responses (e.g. artificial networks that lack stochastic layers) or averaged responses (e.g., trial-averaged firing rates in biological data). However, these measures of _deterministic_ representational similarity ignore the scale and geometric structure of noise, both of which play important roles in neural computation. To rectify this, we generalize previously proposed shape metrics (Williams et al. 2021) to quantify differences in _stochastic_ representations. These new distances satisfy the triangle inequality, and thus can be used as a rigorous basis for many supervised and unsupervised analyses. Leveraging this novel framework, we find that the stochastic geometries of neurobiological representations of oriented visual gratings and naturalistic scenes respectively resemble untrained and trained deep network representations. Further, we are able to more accurately predict certain network attributes (e.g. training hyperparameters) from its position in stochastic (versus deterministic) shape space.

Large language models achieve high performance on many but not all downstream tasks. The interaction between pretraining data and task data is commonly assumed to determine this variance: a task with data that is more similar to a model's pretraining data is assumed to be easier for that model. We test whether distributional and example-specific similarity measures (embedding-, token- and model-based) correlate with language model performance through a large-scale comparison of the Pile and C4 pretraining datasets with downstream benchmarks. Similarity correlates with performance for multilingual datasets, but in other benchmarks, we surprisingly find that similarity metrics are not correlated with accuracy or even each other. This suggests that the relationship between pretraining data and downstream tasks is more complex than often assumed.

This paper explores the relationship between matrix factorizations and linear matrix equations. It shows that every matrix factorization defines two hidden projectors, one for the column space and one for the row space of a matrix, and how to calculate them. The projectors can be applied to solve linear matrix equations, generate low-rank approximations, or design randomized matrix algorithms. But also, as demonstrated, they can be applied in cryptography to encrypt and decrypt messages. The paper discusses some of the security implications of this application and leaves some questions open for further investigation. The basic concepts are illustrated with source code listings. Finally, this work shares some personal reflections on the meaning and importance of understanding in the time of the artificial intelligence revolution.

Collaborative filtering generates recommendations based on user-item similarities through rating data, which may involve numerous unrated items. To predict scores for unrated items, matrix factorization techniques, such as nonnegative matrix factorization (NMF), are often employed to predict scores for unrated items. Nonnegative/binary matrix factorization (NBMF), which is an extension of NMF, approximates a nonnegative matrix as the product of nonnegative and binary matrices. Previous studies have employed NBMF for image analysis where the data were dense. In this paper, we propose a modified NBMF algorithm that can be applied to collaborative filtering where data are sparse. In the modified method, unrated elements in a rating matrix are masked, which improves the collaborative filtering performance. Utilizing a low-latency Ising machine in NBMF is advantageous in terms of the computation time, making the proposed method beneficial.

We present a new scientific document similarity model based on matching fine-grained aspects of texts. To train our model, we exploit a naturally-occurring source of supervision: sentences in the full-text of papers that cite multiple papers together (co-citations). Such co-citations not only reflect close paper relatedness, but also provide textual descriptions of how the co-cited papers are related. This novel form of textual supervision is used for learning to match aspects across papers. We develop multi-vector representations where vectors correspond to sentence-level aspects of documents, and present two methods for aspect matching: (1) A fast method that only matches single aspects, and (2) a method that makes sparse multiple matches with an Optimal Transport mechanism that computes an Earth Mover's Distance between aspects. Our approach improves performance on document similarity tasks in four datasets. Further, our fast single-match method achieves competitive results, paving the way for applying fine-grained similarity to large scientific corpora. Code, data, and models available at: https://github.com/allenai/aspire

Modern deep learning models have the ability to generate high-dimensional vectors whose similarity reflects semantic resemblance. Thus, similarity search, i.e., the operation of retrieving those vectors in a large collection that are similar to a given query, has become a critical component of a wide range of applications that demand highly accurate and timely answers. In this setting, the high vector dimensionality puts similarity search systems under compute and memory pressure, leading to subpar performance. Additionally, cross-modal retrieval tasks have become increasingly common, e.g., where a user inputs a text query to find the most relevant images for that query. However, these queries often have different distributions than the database embeddings, making it challenging to achieve high accuracy. In this work, we present LeanVec, a framework that combines linear dimensionality reduction with vector quantization to accelerate similarity search on high-dimensional vectors while maintaining accuracy. We present LeanVec variants for in-distribution (ID) and out-of-distribution (OOD) queries. LeanVec-ID yields accuracies on par with those from recently introduced deep learning alternatives whose computational overhead precludes their usage in practice. LeanVec-OOD uses a novel technique for dimensionality reduction that considers the query and database distributions to simultaneously boost the accuracy and the performance of the framework even further (even presenting competitive results when the query and database distributions match). All in all, our extensive and varied experimental results show that LeanVec produces state-of-the-art results, with up to 3.7x improvement in search throughput and up to 4.9x faster index build time over the state of the art.

Document embeddings and similarity measures underpin content-based recommender systems, whereby a document is commonly represented as a single generic embedding. However, similarity computed on single vector representations provides only one perspective on document similarity that ignores which aspects make two documents alike. To address this limitation, aspect-based similarity measures have been developed using document segmentation or pairwise multi-class document classification. While segmentation harms the document coherence, the pairwise classification approach scales poorly to large scale corpora. In this paper, we treat aspect-based similarity as a classical vector similarity problem in aspect-specific embedding spaces. We represent a document not as a single generic embedding but as multiple specialized embeddings. Our approach avoids document segmentation and scales linearly w.r.t.the corpus size. In an empirical study, we use the Papers with Code corpus containing 157,606 research papers and consider the task, method, and dataset of the respective research papers as their aspects. We compare and analyze three generic document embeddings, six specialized document embeddings and a pairwise classification baseline in the context of research paper recommendations. As generic document embeddings, we consider FastText, SciBERT, and SPECTER. To compute the specialized document embeddings, we compare three alternative methods inspired by retrofitting, fine-tuning, and Siamese networks. In our experiments, Siamese SciBERT achieved the highest scores. Additional analyses indicate an implicit bias of the generic document embeddings towards the dataset aspect and against the method aspect of each research paper. Our approach of aspect-based document embeddings mitigates potential risks arising from implicit biases by making them explicit.

There is an increasing adoption of machine learning for encoding data into vectors to serve online recommendation and search use cases. As a result, recent data management systems propose augmenting query processing with online vector similarity search. In this work, we explore vector similarity search in the context of Knowledge Graphs (KGs). Motivated by the tasks of finding related KG queries and entities for past KG query workloads, we focus on hybrid vector similarity search (hybrid queries for short) where part of the query corresponds to vector similarity search and part of the query corresponds to predicates over relational attributes associated with the underlying data vectors. For example, given past KG queries for a song entity, we want to construct new queries for new song entities whose vector representations are close to the vector representation of the entity in the past KG query. But entities in a KG also have non-vector attributes such as a song associated with an artist, a genre, and a release date. Therefore, suggested entities must also satisfy query predicates over non-vector attributes beyond a vector-based similarity predicate. While these tasks are central to KGs, our contributions are generally applicable to hybrid queries. In contrast to prior works that optimize online queries, we focus on enabling efficient batch processing of past hybrid query workloads. We present our system, HQI, for high-throughput batch processing of hybrid queries. We introduce a workload-aware vector data partitioning scheme to tailor the vector index layout to the given workload and describe a multi-query optimization technique to reduce the overhead of vector similarity computations. We evaluate our methods on industrial workloads and demonstrate that HQI yields a 31x improvement in throughput for finding related KG queries compared to existing hybrid query processing approaches.

Text classification of unseen classes is a challenging Natural Language Processing task and is mainly attempted using two different types of approaches. Similarity-based approaches attempt to classify instances based on similarities between text document representations and class description representations. Zero-shot text classification approaches aim to generalize knowledge gained from a training task by assigning appropriate labels of unknown classes to text documents. Although existing studies have already investigated individual approaches to these categories, the experiments in literature do not provide a consistent comparison. This paper addresses this gap by conducting a systematic evaluation of different similarity-based and zero-shot approaches for text classification of unseen classes. Different state-of-the-art approaches are benchmarked on four text classification datasets, including a new dataset from the medical domain. Additionally, novel SimCSE and SBERT-based baselines are proposed, as other baselines used in existing work yield weak classification results and are easily outperformed. Finally, the novel similarity-based Lbl2TransformerVec approach is presented, which outperforms previous state-of-the-art approaches in unsupervised text classification. Our experiments show that similarity-based approaches significantly outperform zero-shot approaches in most cases. Additionally, using SimCSE or SBERT embeddings instead of simpler text representations increases similarity-based classification results even further.

We introduce meta-factorization, a theory that describes matrix decompositions as solutions of linear matrix equations: the projector and the reconstruction equation. Meta-factorization reconstructs known factorizations, reveals their internal structures, and allows for introducing modifications, as illustrated with SVD, QR, and UTV factorizations. The prospect of meta-factorization also provides insights into computational aspects of generalized matrix inverses and randomized linear algebra algorithms. The relations between the Moore-Penrose pseudoinverse, generalized Nystr\"{o}m method, and the CUR decomposition are revealed here as an illustration. Finally, meta-factorization offers hints on the structure of new factorizations and provides the potential of creating them.

Chemical similarity searches are widely used in-silico methods for identifying new drug-like molecules. These methods have historically relied on structure-based comparisons to compute molecular similarity. Here, we use a chemical language model to create a vector-based chemical search. We extend implementations by creating a prompt engineering strategy that utilizes two different chemical string representation algorithms: one for the query and the other for the database. We explore this method by reviewing the search results from five drug-like query molecules (penicillin G, nirmatrelvir, zidovudine, lysergic acid diethylamide, and fentanyl) and three dye-like query molecules (acid blue 25, avobenzone, and 2-diphenylaminocarbazole). We find that this novel method identifies molecules that are functionally similar to the query, indicated by the associated patent literature, and that many of these molecules are structurally distinct from the query, making them unlikely to be found with traditional chemical similarity search methods. This method may aid in the discovery of novel structural classes of molecules that achieve target functionality.

This paper presents a novel approach for similarity search with complex filtering capabilities on billion-scale datasets, optimized for CPU inference. Our method extends the classical IVF-Flat index structure to integrate multi-dimensional filters. The proposed algorithm combines dense embeddings with discrete filtering attributes, enabling fast retrieval in high-dimensional spaces. Designed specifically for CPU-based systems, our disk-based approach offers a cost-effective solution for large-scale similarity search. We demonstrate the effectiveness of our method through a case study, showcasing its potential for various practical uses.

Many patterns in nature exhibit self-similarity: they can be compactly described via self-referential transformations. Said patterns commonly appear in natural and artificial objects, such as molecules, shorelines, galaxies and even images. In this work, we investigate the role of learning in the automated discovery of self-similarity and in its utilization for downstream tasks. To this end, we design a novel class of implicit operators, Neural Collages, which (1) represent data as the parameters of a self-referential, structured transformation, and (2) employ hypernetworks to amortize the cost of finding these parameters to a single forward pass. We investigate how to leverage the representations produced by Neural Collages in various tasks, including data compression and generation. Neural Collages image compressors are orders of magnitude faster than other self-similarity-based algorithms during encoding and offer compression rates competitive with implicit methods. Finally, we showcase applications of Neural Collages for fractal art and as deep generative models.

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

In recent years, multiple notions of algorithmic fairness have arisen. One such notion is individual fairness (IF), which requires that individuals who are similar receive similar treatment. In parallel, matrix estimation (ME) has emerged as a natural paradigm for handling noisy data with missing values. In this work, we connect the two concepts. We show that pre-processing data using ME can improve an algorithm's IF without sacrificing performance. Specifically, we show that using a popular ME method known as singular value thresholding (SVT) to pre-process the data provides a strong IF guarantee under appropriate conditions. We then show that, under analogous conditions, SVT pre-processing also yields estimates that are consistent and approximately minimax optimal. As such, the ME pre-processing step does not, under the stated conditions, increase the prediction error of the base algorithm, i.e., does not impose a fairness-performance trade-off. We verify these results on synthetic and real data.

Existing perceptual similarity metrics assume an image and its reference are well aligned. As a result, these metrics are often sensitive to a small alignment error that is imperceptible to the human eyes. This paper studies the effect of small misalignment, specifically a small shift between the input and reference image, on existing metrics, and accordingly develops a shift-tolerant similarity metric. This paper builds upon LPIPS, a widely used learned perceptual similarity metric, and explores architectural design considerations to make it robust against imperceptible misalignment. Specifically, we study a wide spectrum of neural network elements, such as anti-aliasing filtering, pooling, striding, padding, and skip connection, and discuss their roles in making a robust metric. Based on our studies, we develop a new deep neural network-based perceptual similarity metric. Our experiments show that our metric is tolerant to imperceptible shifts while being consistent with the human similarity judgment.

We propose Meta-Prod2vec, a novel method to compute item similarities for recommendation that leverages existing item metadata. Such scenarios are frequently encountered in applications such as content recommendation, ad targeting and web search. Our method leverages past user interactions with items and their attributes to compute low-dimensional embeddings of items. Specifically, the item metadata is in- jected into the model as side information to regularize the item embeddings. We show that the new item representa- tions lead to better performance on recommendation tasks on an open music dataset.

Given a matrix Min R^{mtimes n}, the low rank matrix completion problem asks us to find a rank-k approximation of M as UV^top for Uin R^{mtimes k} and Vin R^{ntimes k} by only observing a few entries specified by a set of entries Omegasubseteq [m]times [n]. In particular, we examine an approach that is widely used in practice -- the alternating minimization framework. Jain, Netrapalli and Sanghavi~jns13 showed that if M has incoherent rows and columns, then alternating minimization provably recovers the matrix M by observing a nearly linear in n number of entries. While the sample complexity has been subsequently improved~glz17, alternating minimization steps are required to be computed exactly. This hinders the development of more efficient algorithms and fails to depict the practical implementation of alternating minimization, where the updates are usually performed approximately in favor of efficiency. In this paper, we take a major step towards a more efficient and error-robust alternating minimization framework. To this end, we develop an analytical framework for alternating minimization that can tolerate moderate amount of errors caused by approximate updates. Moreover, our algorithm runs in time widetilde O(|Omega| k), which is nearly linear in the time to verify the solution while preserving the sample complexity. This improves upon all prior known alternating minimization approaches which require widetilde O(|Omega| k^2) time.

Dense retrieval models use bi-encoder network architectures for learning query and document representations. These representations are often in the form of a vector representation and their similarities are often computed using the dot product function. In this paper, we propose a new representation learning framework for dense retrieval. Instead of learning a vector for each query and document, our framework learns a multivariate distribution and uses negative multivariate KL divergence to compute the similarity between distributions. For simplicity and efficiency reasons, we assume that the distributions are multivariate normals and then train large language models to produce mean and variance vectors for these distributions. We provide a theoretical foundation for the proposed framework and show that it can be seamlessly integrated into the existing approximate nearest neighbor algorithms to perform retrieval efficiently. We conduct an extensive suite of experiments on a wide range of datasets, and demonstrate significant improvements compared to competitive dense retrieval models.

The drug development pipeline for a new compound can last 10-20 years and cost over 10 billion. Drug repurposing offers a more time- and cost-effective alternative. Computational approaches based on biomedical knowledge graph representations have recently yielded new drug repurposing hypotheses. In this study, we present a novel, disease-specific hypergraph representation learning technique to derive contextual embeddings of biological pathways of various lengths but that all start at any given drug and all end at the disease of interest. Further, we extend this method to multi-disease hypergraphs. To determine the repurposing potential of each of the 1,522 drugs, we derive drug-specific distributions of cosine similarity values and ultimately consider the median for ranking. Cosine similarity values are computed between (1) all biological pathways starting at the considered drug and ending at the disease of interest and (2) all biological pathways starting at drugs currently prescribed against that disease and ending at the disease of interest. We illustrate our approach with Alzheimer's disease (AD) and two of its risk factors: hypertension (HTN) and type 2 diabetes (T2D). We compare each drug's rank across four hypergraph settings (single- or multi-disease): AD only, AD + HTN, AD + T2D, and AD + HTN + T2D. Notably, our framework led to the identification of two promising drugs whose repurposing potential was significantly higher in hypergraphs combining two diseases: dapagliflozin (antidiabetic; moved up, from top 32% to top 7%, across all considered drugs) and debrisoquine (antihypertensive; moved up, from top 76% to top 23%). Our approach serves as a hypothesis generation tool, to be paired with a validation pipeline relying on laboratory experiments and semi-automated parsing of the biomedical literature.

Image-text matching plays a critical role in bridging the vision and language, and great progress has been made by exploiting the global alignment between image and sentence, or local alignments between regions and words. However, how to make the most of these alignments to infer more accurate matching scores is still underexplored. In this paper, we propose a novel Similarity Graph Reasoning and Attention Filtration (SGRAF) network for image-text matching. Specifically, the vector-based similarity representations are firstly learned to characterize the local and global alignments in a more comprehensive manner, and then the Similarity Graph Reasoning (SGR) module relying on one graph convolutional neural network is introduced to infer relation-aware similarities with both the local and global alignments. The Similarity Attention Filtration (SAF) module is further developed to integrate these alignments effectively by selectively attending on the significant and representative alignments and meanwhile casting aside the interferences of non-meaningful alignments. We demonstrate the superiority of the proposed method with achieving state-of-the-art performances on the Flickr30K and MSCOCO datasets, and the good interpretability of SGR and SAF modules with extensive qualitative experiments and analyses.

The design of modern recommender systems relies on understanding which parts of the feature space are relevant for solving a given recommendation task. However, real-world data sets in this domain are often characterized by their large size, sparsity, and noise, making it challenging to identify meaningful signals. Feature ranking represents an efficient branch of algorithms that can help address these challenges by identifying the most informative features and facilitating the automated search for more compact and better-performing models (AutoML). We introduce OutRank, a system for versatile feature ranking and data quality-related anomaly detection. OutRank was built with categorical data in mind, utilizing a variant of mutual information that is normalized with regard to the noise produced by features of the same cardinality. We further extend the similarity measure by incorporating information on feature similarity and combined relevance. The proposed approach's feasibility is demonstrated by speeding up the state-of-the-art AutoML system on a synthetic data set with no performance loss. Furthermore, we considered a real-life click-through-rate prediction data set where it outperformed strong baselines such as random forest-based approaches. The proposed approach enables exploration of up to 300% larger feature spaces compared to AutoML-only approaches, enabling faster search for better models on off-the-shelf hardware.

Requirement traceability is the process of identifying the inter-dependencies between requirements. It poses a significant challenge when conducted manually, especially when dealing with requirements at various levels of abstraction. In this work, we propose a novel approach to automate the task of linking high-level business requirements with more technical system requirements. The proposed approach begins by representing each requirement using a Bag of-Words (BOW) model combined with the Term Frequency-Inverse Document Frequency (TF-IDF) scoring function. Then, we suggested an enhanced cosine similarity that uses recent advances in word embedding representation to correct traditional cosine similarity function limitations. To evaluate the effectiveness of our approach, we conducted experiments on three well-known datasets: COEST, WARC(NFR), and WARC(FRS). The results demonstrate that our approach significantly improves efficiency compared to existing methods. We achieved better results with an increase of approximately 18.4% in one of the datasets, as measured by the F2 score.

While recent progress in video-text retrieval has been advanced by the exploration of better representation learning, in this paper, we present a novel multi-grained sparse learning framework, S3MA, to learn an aligned sparse space shared between the video and the text for video-text retrieval. The shared sparse space is initialized with a finite number of sparse concepts, each of which refers to a number of words. With the text data at hand, we learn and update the shared sparse space in a supervised manner using the proposed similarity and alignment losses. Moreover, to enable multi-grained alignment, we incorporate frame representations for better modeling the video modality and calculating fine-grained and coarse-grained similarities. Benefiting from the learned shared sparse space and multi-grained similarities, extensive experiments on several video-text retrieval benchmarks demonstrate the superiority of S3MA over existing methods. Our code is available at https://github.com/yimuwangcs/Better_Cross_Modal_Retrieval.

Visual similarities discovery (VSD) is an important task with broad e-commerce applications. Given an image of a certain object, the goal of VSD is to retrieve images of different objects with high perceptual visual similarity. Although being a highly addressed problem, the evaluation of proposed methods for VSD is often based on a proxy of an identification-retrieval task, evaluating the ability of a model to retrieve different images of the same object. We posit that evaluating VSD methods based on identification tasks is limited, and faithful evaluation must rely on expert annotations. In this paper, we introduce the first large-scale fashion visual similarity benchmark dataset, consisting of more than 110K expert-annotated image pairs. Besides this major contribution, we share insight from the challenges we faced while curating this dataset. Based on these insights, we propose a novel and efficient labeling procedure that can be applied to any dataset. Our analysis examines its limitations and inductive biases, and based on these findings, we propose metrics to mitigate those limitations. Though our primary focus lies on visual similarity, the methodologies we present have broader applications for discovering and evaluating perceptual similarity across various domains.

Neural embedding models have become a fundamental component of modern information retrieval (IR) pipelines. These models produce a single embedding x in R^d per data-point, allowing for fast retrieval via highly optimized maximum inner product search (MIPS) algorithms. Recently, beginning with the landmark ColBERT paper, multi-vector models, which produce a set of embedding per data point, have achieved markedly superior performance for IR tasks. Unfortunately, using these models for IR is computationally expensive due to the increased complexity of multi-vector retrieval and scoring. In this paper, we introduce MUVERA (MUlti-VEctor Retrieval Algorithm), a retrieval mechanism which reduces multi-vector similarity search to single-vector similarity search. This enables the usage of off-the-shelf MIPS solvers for multi-vector retrieval. MUVERA asymmetrically generates Fixed Dimensional Encodings (FDEs) of queries and documents, which are vectors whose inner product approximates multi-vector similarity. We prove that FDEs give high-quality epsilon-approximations, thus providing the first single-vector proxy for multi-vector similarity with theoretical guarantees. Empirically, we find that FDEs achieve the same recall as prior state-of-the-art heuristics while retrieving 2-5times fewer candidates. Compared to prior state of the art implementations, MUVERA achieves consistently good end-to-end recall and latency across a diverse set of the BEIR retrieval datasets, achieving an average of 10% improved recall with 90% lower latency.

Quantifying the similarity between a group of companies has proven to be useful for several purposes, including company benchmarking, fraud detection, and searching for investment opportunities. This exercise can be done using a variety of data sources, such as company activity data and financial data. However, ledger account data is widely available and is standardized to a large extent. Such ledger accounts within a financial statement can be represented by means of a tree, i.e. a special type of graph, representing both the values of the ledger accounts and the relationships between them. Given their broad availability and rich information content, financial statements form a prime data source based on which company similarities or distances could be computed. In this paper, we present a graph distance metric that enables one to compute the similarity between the financial statements of two companies. We conduct a comprehensive experimental study using real-world financial data to demonstrate the usefulness of our proposed distance metric. The experimental results show promising results on a number of use cases. This method may be useful for investors looking for investment opportunities, government officials attempting to identify fraudulent companies, and accountants looking to benchmark a group of companies based on their financial statements.

This paper presents a new approach for code similarity on High Level programs. Our technique is based on Fast Dynamic Time Warping, that builds a warp path or points relation with local restrictions. The source code is represented into Time Series using the operators inside programming languages that makes possible the comparison. This makes possible subsequence detection that represent similar code instructions. In contrast with other code similarity algorithms, we do not make features extraction. The experiments show that two source codes are similar when their respective Time Series are similar.

For convolutional neural network models that optimize an image embedding, we propose a method to highlight the regions of images that contribute most to pairwise similarity. This work is a corollary to the visualization tools developed for classification networks, but applicable to the problem domains better suited to similarity learning. The visualization shows how similarity networks that are fine-tuned learn to focus on different features. We also generalize our approach to embedding networks that use different pooling strategies and provide a simple mechanism to support image similarity searches on objects or sub-regions in the query image.

Recently, Ainsworth et al. showed that using weight matching (WM) to minimize the L_2 distance in a permutation search of model parameters effectively identifies permutations that satisfy linear mode connectivity (LMC), in which the loss along a linear path between two independently trained models with different seeds remains nearly constant. This paper provides a theoretical analysis of LMC using WM, which is crucial for understanding stochastic gradient descent's effectiveness and its application in areas like model merging. We first experimentally and theoretically show that permutations found by WM do not significantly reduce the L_2 distance between two models and the occurrence of LMC is not merely due to distance reduction by WM in itself. We then provide theoretical insights showing that permutations can change the directions of the singular vectors, but not the singular values, of the weight matrices in each layer. This finding shows that permutations found by WM mainly align the directions of singular vectors associated with large singular values across models. This alignment brings the singular vectors with large singular values, which determine the model functionality, closer between pre-merged and post-merged models, so that the post-merged model retains functionality similar to the pre-merged models, making it easy to satisfy LMC. Finally, we analyze the difference between WM and straight-through estimator (STE), a dataset-dependent permutation search method, and show that WM outperforms STE, especially when merging three or more models.

Deep learning has proven itself as a successful set of models for learning useful semantic representations of data. These, however, are mostly implicitly learned as part of a classification task. In this paper we propose the triplet network model, which aims to learn useful representations by distance comparisons. A similar model was defined by Wang et al. (2014), tailor made for learning a ranking for image information retrieval. Here we demonstrate using various datasets that our model learns a better representation than that of its immediate competitor, the Siamese network. We also discuss future possible usage as a framework for unsupervised learning.

In this paper we propose a new approach to detect clusters in undirected graphs with attributed vertices. We incorporate structural and attribute similarities between the vertices in an augmented graph by creating additional vertices and edges as proposed in [1, 2]. The augmented graph is then embedded in a Euclidean space associated to its Laplacian and we cluster vertices via a modified K-means algorithm, using a new vector-valued distance in the embedding space. Main novelty of our method, which can be classified as an early fusion method, i.e., a method in which additional information on vertices are fused to the structure information before applying clustering, is the interpretation of attributes as new realizations of graph vertices, which can be dealt with as coordinate vectors in a related Euclidean space. This allows us to extend a scalable generalized spectral clustering procedure which substitutes graph Laplacian eigenvectors with some vectors, named algebraically smooth vectors, obtained by a linear-time complexity Algebraic MultiGrid (AMG) method. We discuss the performance of our proposed clustering method by comparison with recent literature approaches and public available results. Extensive experiments on different types of synthetic datasets and real-world attributed graphs show that our new algorithm, embedding attributes information in the clustering, outperforms structure-only-based methods, when the attributed network has an ambiguous structure. Furthermore, our new method largely outperforms the method which originally proposed the graph augmentation, showing that our embedding strategy and vector-valued distance are very effective in taking advantages from the augmented-graph representation.

Learning scientific document representations can be substantially improved through contrastive learning objectives, where the challenge lies in creating positive and negative training samples that encode the desired similarity semantics. Prior work relies on discrete citation relations to generate contrast samples. However, discrete citations enforce a hard cut-off to similarity. This is counter-intuitive to similarity-based learning, and ignores that scientific papers can be very similar despite lacking a direct citation - a core problem of finding related research. Instead, we use controlled nearest neighbor sampling over citation graph embeddings for contrastive learning. This control allows us to learn continuous similarity, to sample hard-to-learn negatives and positives, and also to avoid collisions between negative and positive samples by controlling the sampling margin between them. The resulting method SciNCL outperforms the state-of-the-art on the SciDocs benchmark. Furthermore, we demonstrate that it can train (or tune) models sample-efficiently, and that it can be combined with recent training-efficient methods. Perhaps surprisingly, even training a general-domain language model this way outperforms baselines pretrained in-domain.

Unsupervised hashing methods typically aim to preserve the similarity between data points in a feature space by mapping them to binary hash codes. However, these methods often overlook the fact that the similarity between data points in the continuous feature space may not be preserved in the discrete hash code space, due to the limited similarity range of hash codes. The similarity range is bounded by the code length and can lead to a problem known as similarity collapse. That is, the positive and negative pairs of data points become less distinguishable from each other in the hash space. To alleviate this problem, in this paper a novel Similarity Distribution Calibration (SDC) method is introduced. SDC aligns the hash code similarity distribution towards a calibration distribution (e.g., beta distribution) with sufficient spread across the entire similarity range, thus alleviating the similarity collapse problem. Extensive experiments show that our SDC outperforms significantly the state-of-the-art alternatives on coarse category-level and instance-level image retrieval. Code is available at https://github.com/kamwoh/sdc.

This work presents a novel framework for training Arabic nested embedding models through Matryoshka Embedding Learning, leveraging multilingual, Arabic-specific, and English-based models, to highlight the power of nested embeddings models in various Arabic NLP downstream tasks. Our innovative contribution includes the translation of various sentence similarity datasets into Arabic, enabling a comprehensive evaluation framework to compare these models across different dimensions. We trained several nested embedding models on the Arabic Natural Language Inference triplet dataset and assessed their performance using multiple evaluation metrics, including Pearson and Spearman correlations for cosine similarity, Manhattan distance, Euclidean distance, and dot product similarity. The results demonstrate the superior performance of the Matryoshka embedding models, particularly in capturing semantic nuances unique to the Arabic language. Results demonstrated that Arabic Matryoshka embedding models have superior performance in capturing semantic nuances unique to the Arabic language, significantly outperforming traditional models by up to 20-25\% across various similarity metrics. These results underscore the effectiveness of language-specific training and highlight the potential of Matryoshka models in enhancing semantic textual similarity tasks for Arabic NLP.

This paper presents a new approach to image similarity search in the context of fashion, a domain with inherent ambiguity due to the multiple ways in which images can be considered similar. We introduce the concept of Referred Visual Search (RVS), where users provide additional information to define the desired similarity. We present a new dataset, LAION-RVS-Fashion, consisting of 272K fashion products with 842K images extracted from LAION, designed explicitly for this task. We then propose an innovative method for learning conditional embeddings using weakly-supervised training, achieving a 6% increase in Recall at one (R@1) against a gallery with 2M distractors, compared to classical approaches based on explicit attention and filtering. The proposed method demonstrates robustness, maintaining similar R@1 when dealing with 2.5 times as many distractors as the baseline methods. We believe this is a step forward in the emerging field of Referred Visual Search both in terms of accessible data and approach. Code, data and models are available at https://www.github.com/Simon-Lepage/CondViT-LRVSF .

Human similarity judgments are a powerful supervision signal for machine learning applications based on techniques such as contrastive learning, information retrieval, and model alignment, but classical methods for collecting human similarity judgments are too expensive to be used at scale. Recent methods propose using pre-trained deep neural networks (DNNs) to approximate human similarity, but pre-trained DNNs may not be available for certain domains (e.g., medical images, low-resource languages) and their performance in approximating human similarity has not been extensively tested. We conducted an evaluation of 611 pre-trained models across three domains -- images, audio, video -- and found that there is a large gap in performance between human similarity judgments and pre-trained DNNs. To address this gap, we propose a new class of similarity approximation methods based on language. To collect the language data required by these new methods, we also developed and validated a novel adaptive tag collection pipeline. We find that our proposed language-based methods are significantly cheaper, in the number of human judgments, than classical methods, but still improve performance over the DNN-based methods. Finally, we also develop `stacked' methods that combine language embeddings with DNN embeddings, and find that these consistently provide the best approximations for human similarity across all three of our modalities. Based on the results of this comprehensive study, we provide a concise guide for researchers interested in collecting or approximating human similarity data. To accompany this guide, we also release all of the similarity and language data, a total of 206,339 human judgments, that we collected in our experiments, along with a detailed breakdown of all modeling results.

In embedding-based retrieval, Approximate Nearest Neighbor (ANN) search enables efficient retrieval of similar items from large-scale datasets. While maximizing recall of relevant items is usually the goal of retrieval systems, a low precision may lead to a poor search experience. Unlike lexical retrieval, which inherently limits the size of the retrieved set through keyword matching, dense retrieval via ANN search has no natural cutoff. Moreover, the cosine similarity scores of embedding vectors are often optimized via contrastive or ranking losses, which make them difficult to interpret. Consequently, relying on top-K or cosine-similarity cutoff is often insufficient to filter out irrelevant results effectively. This issue is prominent in product search, where the number of relevant products is often small. This paper introduces a novel relevance filtering component (called "Cosine Adapter") for embedding-based retrieval to address this challenge. Our approach maps raw cosine similarity scores to interpretable scores using a query-dependent mapping function. We then apply a global threshold on the mapped scores to filter out irrelevant results. We are able to significantly increase the precision of the retrieved set, at the expense of a small loss of recall. The effectiveness of our approach is demonstrated through experiments on both public MS MARCO dataset and internal Walmart product search data. Furthermore, online A/B testing on the Walmart site validates the practical value of our approach in real-world e-commerce settings.

Sequential recommendation aims to predict the next item a user is likely to prefer based on their sequential interaction history. Recently, text-based sequential recommendation has emerged as a promising paradigm that uses pre-trained language models to exploit textual item features to enhance performance and facilitate knowledge transfer to unseen datasets. However, existing text-based recommender models still struggle with two key challenges: (i) representing users and items with multiple attributes, and (ii) matching items with complex user interests. To address these challenges, we propose a novel model, Matching Attribute-aware Representations for Text-based Sequential Recommendation (MARS). MARS extracts detailed user and item representations through attribute-aware text encoding, capturing diverse user intents with multiple attribute-aware representations. It then computes user-item scores via attribute-wise interaction matching, effectively capturing attribute-level user preferences. Our extensive experiments demonstrate that MARS significantly outperforms existing sequential models, achieving improvements of up to 24.43% and 29.26% in Recall@10 and NDCG@10 across five benchmark datasets. Code is available at https://github.com/junieberry/MARS

It has been observed that representations learned by distinct neural networks conceal structural similarities when the models are trained under similar inductive biases. From a geometric perspective, identifying the classes of transformations and the related invariances that connect these representations is fundamental to unlocking applications, such as merging, stitching, and reusing different neural modules. However, estimating task-specific transformations a priori can be challenging and expensive due to several factors (e.g., weights initialization, training hyperparameters, or data modality). To this end, we introduce a versatile method to directly incorporate a set of invariances into the representations, constructing a product space of invariant components on top of the latent representations without requiring prior knowledge about the optimal invariance to infuse. We validate our solution on classification and reconstruction tasks, observing consistent latent similarity and downstream performance improvements in a zero-shot stitching setting. The experimental analysis comprises three modalities (vision, text, and graphs), twelve pretrained foundational models, nine benchmarks, and several architectures trained from scratch.

Given a matrix Ain R^{ntimes d} and a vector bin R^n, we consider the regression problem with ell_infty guarantees: finding a vector x'in R^d such that |x'-x^*|_infty leq epsilon{d}cdot |Ax^*-b|_2cdot |A^dagger| where x^*=argmin_{xin R^d}|Ax-b|_2. One popular approach for solving such ell_2 regression problem is via sketching: picking a structured random matrix Sin R^{mtimes n} with mll n and SA can be quickly computed, solve the ``sketched'' regression problem argmin_{xin R^d} |SAx-Sb|_2. In this paper, we show that in order to obtain such ell_infty guarantee for ell_2 regression, one has to use sketching matrices that are dense. To the best of our knowledge, this is the first user case in which dense sketching matrices are necessary. On the algorithmic side, we prove that there exists a distribution of dense sketching matrices with m=epsilon^{-2}dlog^3(n/delta) such that solving the sketched regression problem gives the ell_infty guarantee, with probability at least 1-delta. Moreover, the matrix SA can be computed in time O(ndlog n). Our row count is nearly-optimal up to logarithmic factors, and significantly improves the result in [Price, Song and Woodruff, ICALP'17], in which a super-linear in d rows, m=Omega(epsilon^{-2}d^{1+gamma}) for gamma=Theta(frac{loglog n{log d}}) is required. We also develop a novel analytical framework for ell_infty guarantee regression that utilizes the Oblivious Coordinate-wise Embedding (OCE) property introduced in [Song and Yu, ICML'21]. Our analysis is arguably much simpler and more general than [Price, Song and Woodruff, ICALP'17], and it extends to dense sketches for tensor product of vectors.

Knowledge distillation (KD) is an effective training strategy to improve the lightweight student models under the guidance of cumbersome teachers. However, the large architecture difference across the teacher-student pairs limits the distillation gains. In contrast to previous adaptive distillation methods to reduce the teacher-student gap, we explore a novel training-free framework to search for the best student architectures for a given teacher. Our work first empirically show that the optimal model under vanilla training cannot be the winner in distillation. Secondly, we find that the similarity of feature semantics and sample relations between random-initialized teacher-student networks have good correlations with final distillation performances. Thus, we efficiently measure similarity matrixs conditioned on the semantic activation maps to select the optimal student via an evolutionary algorithm without any training. In this way, our student architecture search for Distillation WithOut Training (DisWOT) significantly improves the performance of the model in the distillation stage with at least 180times training acceleration. Additionally, we extend similarity metrics in DisWOT as new distillers and KD-based zero-proxies. Our experiments on CIFAR, ImageNet and NAS-Bench-201 demonstrate that our technique achieves state-of-the-art results on different search spaces. Our project and code are available at https://lilujunai.github.io/DisWOT-CVPR2023/.

This work introduces composed image retrieval to remote sensing. It allows to query a large image archive by image examples alternated by a textual description, enriching the descriptive power over unimodal queries, either visual or textual. Various attributes can be modified by the textual part, such as shape, color, or context. A novel method fusing image-to-image and text-to-image similarity is introduced. We demonstrate that a vision-language model possesses sufficient descriptive power and no further learning step or training data are necessary. We present a new evaluation benchmark focused on color, context, density, existence, quantity, and shape modifications. Our work not only sets the state-of-the-art for this task, but also serves as a foundational step in addressing a gap in the field of remote sensing image retrieval. Code at: https://github.com/billpsomas/rscir

Self-training is a well-known approach for semi-supervised learning. It consists of iteratively assigning pseudo-labels to unlabeled data for which the model is confident and treating them as labeled examples. For neural networks, softmax prediction probabilities are often used as a confidence measure, although they are known to be overconfident, even for wrong predictions. This phenomenon is particularly intensified in the presence of sample selection bias, i.e., when data labeling is subject to some constraint. To address this issue, we propose a novel confidence measure, called T-similarity, built upon the prediction diversity of an ensemble of linear classifiers. We provide the theoretical analysis of our approach by studying stationary points and describing the relationship between the diversity of the individual members and their performance. We empirically demonstrate the benefit of our confidence measure for three different pseudo-labeling policies on classification datasets of various data modalities. The code is available at https://github.com/ambroiseodt/tsim.

Various visual foundation models have distinct strengths and weaknesses, both of which can be improved through heterogeneous multi-teacher knowledge distillation without labels, termed "agglomerative models." We build upon this body of work by studying the effect of the teachers' activation statistics, particularly the impact of the loss function on the resulting student model quality. We explore a standard toolkit of statistical normalization techniques to better align the different distributions and assess their effects. Further, we examine the impact on downstream teacher-matching metrics, which motivates the use of Hadamard matrices. With these matrices, we demonstrate useful properties, showing how they can be used for isotropic standardization, where each dimension of a multivariate distribution is standardized using the same scale. We call this technique "PHI Standardization" (PHI-S) and empirically demonstrate that it produces the best student model across the suite of methods studied.

Despite recent advancements in language and vision modeling, integrating rich multimodal knowledge into recommender systems continues to pose significant challenges. This is primarily due to the need for efficient recommendation, which requires adaptive and interactive responses. In this study, we focus on sequential recommendation and introduce a lightweight framework called full-scale Matryoshka representation learning for multimodal recommendation (fMRLRec). Our fMRLRec captures item features at different granularities, learning informative representations for efficient recommendation across multiple dimensions. To integrate item features from diverse modalities, fMRLRec employs a simple mapping to project multimodal item features into an aligned feature space. Additionally, we design an efficient linear transformation that embeds smaller features into larger ones, substantially reducing memory requirements for large-scale training on recommendation data. Combined with improved state space modeling techniques, fMRLRec scales to different dimensions and only requires one-time training to produce multiple models tailored to various granularities. We demonstrate the effectiveness and efficiency of fMRLRec on multiple benchmark datasets, which consistently achieves superior performance over state-of-the-art baseline methods. We make our code and data publicly available at https://github.com/yueqirex/fMRLRec.

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by millions of parameters, but valuable because it increases our ability to understand current models and create improved versions of them. In this paper we investigate the extent to which neural networks exhibit what we call convergent learning, which is when the representations learned by multiple nets converge to a set of features which are either individually similar between networks or where subsets of features span similar low-dimensional spaces. We propose a specific method of probing representations: training multiple networks and then comparing and contrasting their individual, learned representations at the level of neurons or groups of neurons. We begin research into this question using three techniques to approximately align different neural networks on a feature level: a bipartite matching approach that makes one-to-one assignments between neurons, a sparse prediction approach that finds one-to-many mappings, and a spectral clustering approach that finds many-to-many mappings. This initial investigation reveals a few previously unknown properties of neural networks, and we argue that future research into the question of convergent learning will yield many more. The insights described here include (1) that some features are learned reliably in multiple networks, yet other features are not consistently learned; (2) that units learn to span low-dimensional subspaces and, while these subspaces are common to multiple networks, the specific basis vectors learned are not; (3) that the representation codes show evidence of being a mix between a local code and slightly, but not fully, distributed codes across multiple units.

Contrastive loss is a powerful approach for representation learning, where larger batch sizes enhance performance by providing more negative samples to better distinguish between similar and dissimilar data. However, scaling batch sizes is constrained by the quadratic growth in GPU memory consumption, primarily due to the full instantiation of the similarity matrix. To address this, we propose a tile-based computation strategy that partitions the contrastive loss calculation into arbitrary small blocks, avoiding full materialization of the similarity matrix. Furthermore, we introduce a multi-level tiling strategy to leverage the hierarchical structure of distributed systems, employing ring-based communication at the GPU level to optimize synchronization and fused kernels at the CUDA core level to reduce I/O overhead. Experimental results show that the proposed method scales batch sizes to unprecedented levels. For instance, it enables contrastive training of a CLIP-ViT-L/14 model with a batch size of 4M or 12M using 8 or 32 A800 80GB without sacrificing any accuracy. Compared to SOTA memory-efficient solutions, it achieves a two-order-of-magnitude reduction in memory while maintaining comparable speed. The code will be made publicly available.

We consider in this work quantities that can be obtained as limits of powers of parametrized matrices, for instance the inverse matrix or the logarithm of the determinant. Under the assumption of affine dependence in the parameters, we use the Empirical Interpolation Method (EIM) to derive an approximation for powers of these matrices, from which we derive a nonintrusive approximation for the aforementioned limits. We derive upper bounds of the error made by the obtained formula. Finally, numerical comparisons with classical intrusive and nonintrusive approximation techniques are provided: in the considered test-cases, our algorithm performs well compared to the nonintrusive ones.

Same-style products retrieval plays an important role in e-commerce platforms, aiming to identify the same products which may have different text descriptions or images. It can be used for similar products retrieval from different suppliers or duplicate products detection of one supplier. Common methods use the image as the detected object, but they only consider the visual features and overlook the attribute information contained in the textual descriptions, and perform weakly for products in image less important industries like machinery, hardware tools and electronic component, even if an additional text matching module is added. In this paper, we propose a unified vision-language modeling method for e-commerce same-style products retrieval, which is designed to represent one product with its textual descriptions and visual contents. It contains one sampling skill to collect positive pairs from user click log with category and relevance constrained, and a novel contrastive loss unit to model the image, text, and image+text representations into one joint embedding space. It is capable of cross-modal product-to-product retrieval, as well as style transfer and user-interactive search. Offline evaluations on annotated data demonstrate its superior retrieval performance, and online testings show it can attract more clicks and conversions. Moreover, this model has already been deployed online for similar products retrieval in alibaba.com, the largest B2B e-commerce platform in the world.

A diversity of tasks use language models trained on semantic similarity data. While there are a variety of datasets that capture semantic similarity, they are either constructed from modern web data or are relatively small datasets created in the past decade by human annotators. This study utilizes a novel source, newly digitized articles from off-copyright, local U.S. newspapers, to assemble a massive-scale semantic similarity dataset spanning 70 years from 1920 to 1989 and containing nearly 400M positive semantic similarity pairs. Historically, around half of articles in U.S. local newspapers came from newswires like the Associated Press. While local papers reproduced articles from the newswire, they wrote their own headlines, which form abstractive summaries of the associated articles. We associate articles and their headlines by exploiting document layouts and language understanding. We then use deep neural methods to detect which articles are from the same underlying source, in the presence of substantial noise and abridgement. The headlines of reproduced articles form positive semantic similarity pairs. The resulting publicly available HEADLINES dataset is significantly larger than most existing semantic similarity datasets and covers a much longer span of time. It will facilitate the application of contrastively trained semantic similarity models to a variety of tasks, including the study of semantic change across space and time.

Parameter-efficient fine-tuning optimizes large, pre-trained foundation models by updating a subset of parameters; in this class, Low-Rank Adaptation (LoRA) is particularly effective. Inspired by an effort to investigate the different roles of LoRA matrices during fine-tuning, this paper characterizes and leverages unexpected asymmetry in the importance of low-rank adapter matrices. Specifically, when updating the parameter matrices of a neural network by adding a product BA, we observe that the B and A matrices have distinct functions: A extracts features from the input, while B uses these features to create the desired output. Based on this observation, we demonstrate that fine-tuning B is inherently more effective than fine-tuning A, and that a random untrained A should perform nearly as well as a fine-tuned one. Using an information-theoretic lens, we also bound the generalization of low-rank adapters, showing that the parameter savings of exclusively training B improves the bound. We support our conclusions with experiments on RoBERTa, BART-Large, LLaMA-2, and ViTs.

With the increasing number of new neural architecture designs and substantial existing neural architectures, it becomes difficult for the researchers to situate their contributions compared with existing neural architectures or establish the connections between their designs and other relevant ones. To discover similar neural architectures in an efficient and automatic manner, we define a new problem Neural Architecture Retrieval which retrieves a set of existing neural architectures which have similar designs to the query neural architecture. Existing graph pre-training strategies cannot address the computational graph in neural architectures due to the graph size and motifs. To fulfill this potential, we propose to divide the graph into motifs which are used to rebuild the macro graph to tackle these issues, and introduce multi-level contrastive learning to achieve accurate graph representation learning. Extensive evaluations on both human-designed and synthesized neural architectures demonstrate the superiority of our algorithm. Such a dataset which contains 12k real-world network architectures, as well as their embedding, is built for neural architecture retrieval.

We show how perceptual embeddings of the visual system can be constructed at inference-time with no training data or deep neural network features. Our perceptual embeddings are solutions to a weighted least squares (WLS) problem, defined at the pixel-level, and solved at inference-time, that can capture global and local image characteristics. The distance in embedding space is used to define a perceptual similarity metric which we call LASI: Linear Autoregressive Similarity Index. Experiments on full-reference image quality assessment datasets show LASI performs competitively with learned deep feature based methods like LPIPS (Zhang et al., 2018) and PIM (Bhardwaj et al., 2020), at a similar computational cost to hand-crafted methods such as MS-SSIM (Wang et al., 2003). We found that increasing the dimensionality of the embedding space consistently reduces the WLS loss while increasing performance on perceptual tasks, at the cost of increasing the computational complexity. LASI is fully differentiable, scales cubically with the number of embedding dimensions, and can be parallelized at the pixel-level. A Maximum Differentiation (MAD) competition (Wang & Simoncelli, 2008) between LASI and LPIPS shows that both methods are capable of finding failure points for the other, suggesting these metrics can be combined.

Graph Neural Networks (GNNs), especially message-passing neural networks (MPNNs), have emerged as powerful architectures for learning on graphs in diverse applications. However, MPNNs face challenges when modeling non-local interactions in graphs such as large conjugated molecules, and social networks due to oversmoothing and oversquashing. Although Spectral GNNs and traditional neural networks such as recurrent neural networks and transformers mitigate these challenges, they often lack generalizability, or fail to capture detailed structural relationships or symmetries in the data. To address these concerns, we introduce Matrix Function Neural Networks (MFNs), a novel architecture that parameterizes non-local interactions through analytic matrix equivariant functions. Employing resolvent expansions offers a straightforward implementation and the potential for linear scaling with system size. The MFN architecture achieves stateof-the-art performance in standard graph benchmarks, such as the ZINC and TU datasets, and is able to capture intricate non-local interactions in quantum systems, paving the way to new state-of-the-art force fields.

Contrastive learning is a powerful self-supervised learning method, but we have a limited theoretical understanding of how it works and why it works. In this paper, we prove that contrastive learning with the standard InfoNCE loss is equivalent to spectral clustering on the similarity graph. Using this equivalence as the building block, we extend our analysis to the CLIP model and rigorously characterize how similar multi-modal objects are embedded together. Motivated by our theoretical insights, we introduce the kernel mixture loss, incorporating novel kernel functions that outperform the standard Gaussian kernel on several vision datasets.

We present a novel architecture, In-Database Entity Linking (IDEL), in which we integrate the analytics-optimized RDBMS MonetDB with neural text mining abilities. Our system design abstracts core tasks of most neural entity linking systems for MonetDB. To the best of our knowledge, this is the first defacto implemented system integrating entity-linking in a database. We leverage the ability of MonetDB to support in-database-analytics with user defined functions (UDFs) implemented in Python. These functions call machine learning libraries for neural text mining, such as TensorFlow. The system achieves zero cost for data shipping and transformation by utilizing MonetDB's ability to embed Python processes in the database kernel and exchange data in NumPy arrays. IDEL represents text and relational data in a joint vector space with neural embeddings and can compensate errors with ambiguous entity representations. For detecting matching entities, we propose a novel similarity function based on joint neural embeddings which are learned via minimizing pairwise contrastive ranking loss. This function utilizes a high dimensional index structures for fast retrieval of matching entities. Our first implementation and experiments using the WebNLG corpus show the effectiveness and the potentials of IDEL.

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).

This paper challenges the recent paradigm in atomic property prediction that links progress to growing dataset sizes and computational resources. We show that pretraining on a carefully selected, task-relevant dataset can match or even surpass large-scale pretraining, while using as little as 1/24th of the computational cost. We introduce the Chemical Similarity Index (CSI), a novel metric inspired by computer vision's Fr\'echet Inception Distance, for molecular graphs which quantifies the alignment between upstream pretraining datasets and downstream tasks. By selecting the most relevant dataset with minimal CSI distance, we show that models pretrained on a smaller, focused dataset consistently outperform those pretrained on massive, mixed datasets such as JMP, even when those larger datasets include the relevant dataset. Counterintuitively, we also find that indiscriminately adding more data can degrade model performance when the additional data poorly aligns with the task at hand. Our findings highlight that quality often outperforms quantity in pretraining for atomic property prediction.

Enterprises often own large collections of structured data in the form of large databases or an enterprise data lake. Such data collections come with limited metadata and strict access policies that could limit access to the data contents and, therefore, limit the application of classic retrieval and analysis solutions. As a result, there is a need for solutions that can effectively utilize the available metadata. In this paper, we study the problem of matching table metadata to a business glossary containing data labels and descriptions. The resulting matching enables the use of an available or curated business glossary for retrieval and analysis without or before requesting access to the data contents. One solution to this problem is to use manually-defined rules or similarity measures on column names and glossary descriptions (or their vector embeddings) to find the closest match. However, such approaches need to be tuned through manual labeling and cannot handle many business glossaries that contain a combination of simple as well as complex and long descriptions. In this work, we leverage the power of large language models (LLMs) to design generic matching methods that do not require manual tuning and can identify complex relations between column names and glossaries. We propose methods that utilize LLMs in two ways: a) by generating additional context for column names that can aid with matching b) by using LLMs to directly infer if there is a relation between column names and glossary descriptions. Our preliminary experimental results show the effectiveness of our proposed methods.

Prompt learning has become the most effective paradigm for adapting large pre-trained vision-language models (VLMs) to downstream tasks. Recently, unsupervised prompt tuning methods, such as UPL and POUF, directly leverage pseudo-labels as supervisory information to fine-tune additional adaptation modules on unlabeled data. However, inaccurate pseudo labels easily misguide the tuning process and result in poor representation capabilities. In light of this, we propose Training-Free Unsupervised Prompts (TFUP), which maximally preserves the inherent representation capabilities and enhances them with a residual connection to similarity-based prediction probabilities in a training-free and labeling-free manner. Specifically, we integrate both instance confidence and prototype scores to select representative samples, which are used to customize a reliable Feature Cache Model (FCM) for training-free inference. Then, we design a Multi-level Similarity Measure (MSM) that considers both feature-level and semantic-level similarities to calculate the distance between each test image and the cached sample as the weight of the corresponding cached label to generate similarity-based prediction probabilities. In this way, TFUP achieves surprising performance, even surpassing the training-base method on multiple classification datasets. Based on our TFUP, we propose a training-based approach (TFUP-T) to further boost the adaptation performance. In addition to the standard cross-entropy loss, TFUP-T adopts an additional marginal distribution entropy loss to constrain the model from a global perspective. Our TFUP-T achieves new state-of-the-art classification performance compared to unsupervised and few-shot adaptation approaches on multiple benchmarks. In particular, TFUP-T improves the classification accuracy of POUF by 3.3% on the most challenging Domain-Net dataset.

Learning compatible representations enables the interchangeable use of semantic features as models are updated over time. This is particularly relevant in search and retrieval systems where it is crucial to avoid reprocessing of the gallery images with the updated model. While recent research has shown promising empirical evidence, there is still a lack of comprehensive theoretical understanding about learning compatible representations. In this paper, we demonstrate that the stationary representations learned by the d-Simplex fixed classifier optimally approximate compatibility representation according to the two inequality constraints of its formal definition. This not only establishes a solid foundation for future works in this line of research but also presents implications that can be exploited in practical learning scenarios. An exemplary application is the now-standard practice of downloading and fine-tuning new pre-trained models. Specifically, we show the strengths and critical issues of stationary representations in the case in which a model undergoing sequential fine-tuning is asynchronously replaced by downloading a better-performing model pre-trained elsewhere. Such a representation enables seamless delivery of retrieval service (i.e., no reprocessing of gallery images) and offers improved performance without operational disruptions during model replacement. Code available at: https://github.com/miccunifi/iamcl2r.

Similar case retrieval (SCR) is a representative legal AI application that plays a pivotal role in promoting judicial fairness. However, existing SCR datasets only focus on the fact description section when judging the similarity between cases, ignoring other valuable sections (e.g., the court's opinion) that can provide insightful reasoning process behind. Furthermore, the case similarities are typically measured solely by the textual semantics of the fact descriptions, which may fail to capture the full complexity of legal cases from the perspective of legal knowledge. In this work, we present MUSER, a similar case retrieval dataset based on multi-view similarity measurement and comprehensive legal element with sentence-level legal element annotations. Specifically, we select three perspectives (legal fact, dispute focus, and law statutory) and build a comprehensive and structured label schema of legal elements for each of them, to enable accurate and knowledgeable evaluation of case similarities. The constructed dataset originates from Chinese civil cases and contains 100 query cases and 4,024 candidate cases. We implement several text classification algorithms for legal element prediction and various retrieval methods for retrieving similar cases on MUSER. The experimental results indicate that incorporating legal elements can benefit the performance of SCR models, but further efforts are still required to address the remaining challenges posed by MUSER. The source code and dataset are released at https://github.com/THUlawtech/MUSER.

A new class of affine scaling matrices for the interior point Newton-type methods is considered to solve the nonlinear systems with simple bounds. We review the essential properties of a scaling matrix and consider several well-known scaling matrices proposed in the literature. We define a new scaling matrix that is the convex combination of these matrices. The proposed scaling matrix inherits those interesting properties of the individual matrices and satisfies additional desired requirements. The numerical experiments demonstrate the superiority of the new scaling matrix in solving several important test problems.

Document retrieval techniques form the foundation for the development of large-scale information systems. The prevailing methodology is to construct a bi-encoder and compute the semantic similarity. However, such scalar similarity is difficult to reflect enough information and impedes our comprehension of the retrieval results. In addition, this computational process mainly emphasizes the global semantics and ignores the fine-grained semantic relationship between the query and the complex text in the document. In this paper, we propose a new method called Generation Augmented Retrieval (GeAR) that incorporates well-designed fusion and decoding modules. This enables GeAR to generate the relevant text from documents based on the fused representation of the query and the document, thus learning to "focus on" the fine-grained information. Also when used as a retriever, GeAR does not add any computational burden over bi-encoders. To support the training of the new framework, we have introduced a pipeline to efficiently synthesize high-quality data by utilizing large language models. GeAR exhibits competitive retrieval and localization performance across diverse scenarios and datasets. Moreover, the qualitative analysis and the results generated by GeAR provide novel insights into the interpretation of retrieval results. The code, data, and models will be released after completing technical review to facilitate future research.

Image Retrieval aims to retrieve corresponding images based on a given query. In application scenarios, users intend to express their retrieval intent through various query styles. However, current retrieval tasks predominantly focus on text-query retrieval exploration, leading to limited retrieval query options and potential ambiguity or bias in user intention. In this paper, we propose the Style-Diversified Query-Based Image Retrieval task, which enables retrieval based on various query styles. To facilitate the novel setting, we propose the first Diverse-Style Retrieval dataset, encompassing diverse query styles including text, sketch, low-resolution, and art. We also propose a light-weighted style-diversified retrieval framework. For various query style inputs, we apply the Gram Matrix to extract the query's textural features and cluster them into a style space with style-specific bases. Then we employ the style-init prompt tuning module to enable the visual encoder to comprehend the texture and style information of the query. Experiments demonstrate that our model, employing the style-init prompt tuning strategy, outperforms existing retrieval models on the style-diversified retrieval task. Moreover, style-diversified queries~(sketch+text, art+text, etc) can be simultaneously retrieved in our model. The auxiliary information from other queries enhances the retrieval performance within the respective query.

The canonical approach to video-text retrieval leverages a coarse-grained or fine-grained alignment between visual and textual information. However, retrieving the correct video according to the text query is often challenging as it requires the ability to reason about both high-level (scene) and low-level (object) visual clues and how they relate to the text query. To this end, we propose a Unified Coarse-to-fine Alignment model, dubbed UCoFiA. Specifically, our model captures the cross-modal similarity information at different granularity levels. To alleviate the effect of irrelevant visual clues, we also apply an Interactive Similarity Aggregation module (ISA) to consider the importance of different visual features while aggregating the cross-modal similarity to obtain a similarity score for each granularity. Finally, we apply the Sinkhorn-Knopp algorithm to normalize the similarities of each level before summing them, alleviating over- and under-representation issues at different levels. By jointly considering the crossmodal similarity of different granularity, UCoFiA allows the effective unification of multi-grained alignments. Empirically, UCoFiA outperforms previous state-of-the-art CLIP-based methods on multiple video-text retrieval benchmarks, achieving 2.4%, 1.4% and 1.3% improvements in text-to-video retrieval R@1 on MSR-VTT, Activity-Net, and DiDeMo, respectively. Our code is publicly available at https://github.com/Ziyang412/UCoFiA.

Learnable embedding vector is one of the most important applications in machine learning, and is widely used in various database-related domains. However, the high dimensionality of sparse data in recommendation tasks and the huge volume of corpus in retrieval-related tasks lead to a large memory consumption of the embedding table, which poses a great challenge to the training and deployment of models. Recent research has proposed various methods to compress the embeddings at the cost of a slight decrease in model quality or the introduction of other overheads. Nevertheless, the relative performance of these methods remains unclear. Existing experimental comparisons only cover a subset of these methods and focus on limited metrics. In this paper, we perform a comprehensive comparative analysis and experimental evaluation of embedding compression. We introduce a new taxonomy that categorizes these techniques based on their characteristics and methodologies, and further develop a modular benchmarking framework that integrates 14 representative methods. Under a uniform test environment, our benchmark fairly evaluates each approach, presents their strengths and weaknesses under different memory budgets, and recommends the best method based on the use case. In addition to providing useful guidelines, our study also uncovers the limitations of current methods and suggests potential directions for future research.

Recent years have seen growing interest in developing and applying perceptual similarity metrics. Research has shown the superiority of perceptual metrics over pixel-wise metrics in aligning with human perception and serving as a proxy for the human visual system. On the other hand, as perceptual metrics rely on neural networks, there is a growing concern regarding their resilience, given the established vulnerability of neural networks to adversarial attacks. It is indeed logical to infer that perceptual metrics may inherit both the strengths and shortcomings of neural networks. In this work, we demonstrate the vulnerability of state-of-the-art perceptual similarity metrics based on an ensemble of ViT-based feature extractors to adversarial attacks. We then propose a framework to train a robust perceptual similarity metric called LipSim (Lipschitz Similarity Metric) with provable guarantees. By leveraging 1-Lipschitz neural networks as the backbone, LipSim provides guarded areas around each data point and certificates for all perturbations within an ell_2 ball. Finally, a comprehensive set of experiments shows the performance of LipSim in terms of natural and certified scores and on the image retrieval application. The code is available at https://github.com/SaraGhazanfari/LipSim.

The k-Nearest Neighbor (kNN) classification approach is conceptually simple - yet widely applied since it often performs well in practical applications. However, using a global constant k does not always provide an optimal solution, e.g., for datasets with an irregular density distribution of data points. This paper proposes an adaptive kNN classifier where k is chosen dynamically for each instance (point) to be classified, such that the expected accuracy of classification is maximized. We define the expected accuracy as the accuracy of a set of structurally similar observations. An arbitrary similarity function can be used to find these observations. We introduce and evaluate different similarity functions. For the evaluation, we use five different classification tasks based on geo-spatial data. Each classification task consists of (tens of) thousands of items. We demonstrate, that the presented expected accuracy measures can be a good estimator for kNN performance, and the proposed adaptive kNN classifier outperforms common kNN and previously introduced adaptive kNN algorithms. Also, we show that the range of considered k can be significantly reduced to speed up the algorithm without negative influence on classification accuracy.

Self-supervised learning of graph neural networks (GNNs) aims to learn an accurate representation of the graphs in an unsupervised manner, to obtain transferable representations of them for diverse downstream tasks. Predictive learning and contrastive learning are the two most prevalent approaches for graph self-supervised learning. However, they have their own drawbacks. While the predictive learning methods can learn the contextual relationships between neighboring nodes and edges, they cannot learn global graph-level similarities. Contrastive learning, while it can learn global graph-level similarities, its objective to maximize the similarity between two differently perturbed graphs may result in representations that cannot discriminate two similar graphs with different properties. To tackle such limitations, we propose a framework that aims to learn the exact discrepancy between the original and the perturbed graphs, coined as Discrepancy-based Self-supervised LeArning (D-SLA). Specifically, we create multiple perturbations of the given graph with varying degrees of similarity, and train the model to predict whether each graph is the original graph or the perturbed one. Moreover, we further aim to accurately capture the amount of discrepancy for each perturbed graph using the graph edit distance. We validate our D-SLA on various graph-related downstream tasks, including molecular property prediction, protein function prediction, and link prediction tasks, on which ours largely outperforms relevant baselines.

We present a general framework for symmetrizing an arbitrary neural-network architecture and making it equivariant with respect to a given group. We build upon the proposals of Kim et al. (2023); Kaba et al. (2023) for symmetrization, and improve them by replacing their conversion of neural features into group representations, with an optimization whose loss intuitively measures the distance between group orbits. This change makes our approach applicable to a broader range of matrix groups, such as the Lorentz group O(1, 3), than these two proposals. We experimentally show our method's competitiveness on the SO(2) image classification task, and also its increased generality on the task with O(1, 3). Our implementation will be made accessible at https://github.com/tiendatnguyen-vision/Orbit-symmetrize.

Measuring geometric similarity between high-dimensional network representations is a topic of longstanding interest to neuroscience and deep learning. Although many methods have been proposed, only a few works have rigorously analyzed their statistical efficiency or quantified estimator uncertainty in data-limited regimes. Here, we derive upper and lower bounds on the worst-case convergence of standard estimators of shape distancex2014a measure of representational dissimilarity proposed by Williams et al. (2021).These bounds reveal the challenging nature of the problem in high-dimensional feature spaces. To overcome these challenges, we introduce a new method-of-moments estimator with a tunable bias-variance tradeoff. We show that this estimator achieves substantially lower bias than standard estimators in simulation and on neural data, particularly in high-dimensional settings. Thus, we lay the foundation for a rigorous statistical theory for high-dimensional shape analysis, and we contribute a new estimation method that is well-suited to practical scientific settings.

The effectiveness of recommendation systems is pivotal to user engagement and satisfaction in online platforms. As these recommendation systems increasingly influence user choices, their evaluation transcends mere technical performance and becomes central to business success. This paper addresses the multifaceted nature of recommendations system evaluation by introducing a comprehensive suite of metrics, each tailored to capture a distinct aspect of system performance. We discuss * Similarity Metrics: to quantify the precision of content-based filtering mechanisms and assess the accuracy of collaborative filtering techniques. * Candidate Generation Metrics: to evaluate how effectively the system identifies a broad yet relevant range of items. * Predictive Metrics: to assess the accuracy of forecasted user preferences. * Ranking Metrics: to evaluate the effectiveness of the order in which recommendations are presented. * Business Metrics: to align the performance of the recommendation system with economic objectives. Our approach emphasizes the contextual application of these metrics and their interdependencies. In this paper, we identify the strengths and limitations of current evaluation practices and highlight the nuanced trade-offs that emerge when optimizing recommendation systems across different metrics. The paper concludes by proposing a framework for selecting and interpreting these metrics to not only improve system performance but also to advance business goals. This work is to aid researchers and practitioners in critically assessing recommendation systems and fosters the development of more nuanced, effective, and economically viable personalization strategies. Our code is available at GitHub - https://github.com/aryan-jadon/Evaluation-Metrics-for-Recommendation-Systems.

Although exact term match between queries and documents is the dominant method to perform first-stage retrieval, we propose a different approach, called RepBERT, to represent documents and queries with fixed-length contextualized embeddings. The inner products of query and document embeddings are regarded as relevance scores. On MS MARCO Passage Ranking task, RepBERT achieves state-of-the-art results among all initial retrieval techniques. And its efficiency is comparable to bag-of-words methods.

This paper studies the problem of recovering cameras from a set of fundamental matrices. A set of fundamental matrices is said to be compatible if a set of cameras exists for which they are the fundamental matrices. We focus on the complete graph, where fundamental matrices for each pair of cameras are given. Previous work has established necessary and sufficient conditions for compatibility as rank and eigenvalue conditions on the n-view fundamental matrix obtained by concatenating the individual fundamental matrices. In this work, we show that the eigenvalue condition is redundant. We provide explicit homogeneous polynomials that describe necessary and sufficient conditions for compatibility in terms of the fundamental matrices and their epipoles. In this direction, we find that quadruple-wise compatibility is enough to ensure global compatibility for any number of cameras. We demonstrate that for four cameras, compatibility is generically described by triple-wise conditions and one additional equation involving all fundamental matrices.

This paper provides a pair similarity optimization viewpoint on deep feature learning, aiming to maximize the within-class similarity s_p and minimize the between-class similarity s_n. We find a majority of loss functions, including the triplet loss and the softmax plus cross-entropy loss, embed s_n and s_p into similarity pairs and seek to reduce (s_n-s_p). Such an optimization manner is inflexible, because the penalty strength on every single similarity score is restricted to be equal. Our intuition is that if a similarity score deviates far from the optimum, it should be emphasized. To this end, we simply re-weight each similarity to highlight the less-optimized similarity scores. It results in a Circle loss, which is named due to its circular decision boundary. The Circle loss has a unified formula for two elemental deep feature learning approaches, i.e. learning with class-level labels and pair-wise labels. Analytically, we show that the Circle loss offers a more flexible optimization approach towards a more definite convergence target, compared with the loss functions optimizing (s_n-s_p). Experimentally, we demonstrate the superiority of the Circle loss on a variety of deep feature learning tasks. On face recognition, person re-identification, as well as several fine-grained image retrieval datasets, the achieved performance is on par with the state of the art.

We tackle the problem disentangling the latent space of an autoencoder in order to separate labelled attribute information from other characteristic information. This then allows us to change selected attributes while preserving other information. Our method, matrix subspace projection, is much simpler than previous approaches to latent space factorisation, for example not requiring multiple discriminators or a careful weighting among their loss functions. Furthermore our new model can be applied to autoencoders as a plugin, and works across diverse domains such as images or text. We demonstrate the utility of our method for attribute manipulation in autoencoders trained across varied domains, using both human evaluation and automated methods. The quality of generation of our new model (e.g. reconstruction, conditional generation) is highly competitive to a number of strong baselines.

The behavior of neural networks still remains opaque, and a recently widely noted phenomenon is that networks often achieve similar performance when initialized with different random parameters. This phenomenon has attracted significant attention in measuring the similarity between features learned by distinct networks. However, feature similarity could be vague in describing the same feature since equivalent features hardly exist. In this paper, we expand the concept of equivalent feature and provide the definition of what we call functionally equivalent features. These features produce equivalent output under certain transformations. Using this definition, we aim to derive a more intrinsic metric for the so-called feature complexity regarding the redundancy of features learned by a neural network at each layer. We offer a formal interpretation of our approach through the lens of category theory, a well-developed area in mathematics. To quantify the feature complexity, we further propose an efficient algorithm named Iterative Feature Merging. Our experimental results validate our ideas and theories from various perspectives. We empirically demonstrate that the functionally equivalence widely exists among different features learned by the same neural network and we could reduce the number of parameters of the network without affecting the performance.The IFM shows great potential as a data-agnostic model prune method. We have also drawn several interesting empirical findings regarding the defined feature complexity.

We consider the problem of graph matching, or learning vertex correspondence, between two correlated stochastic block models (SBMs). The graph matching problem arises in various fields, including computer vision, natural language processing and bioinformatics, and in particular, matching graphs with inherent community structure has significance related to de-anonymization of correlated social networks. Compared to the correlated Erdos-Renyi (ER) model, where various efficient algorithms have been developed, among which a few algorithms have been proven to achieve the exact matching with constant edge correlation, no low-order polynomial algorithm has been known to achieve exact matching for the correlated SBMs with constant correlation. In this work, we propose an efficient algorithm for matching graphs with community structure, based on the comparison between partition trees rooted from each vertex, by extending the idea of Mao et al. (2021) to graphs with communities. The partition tree divides the large neighborhoods of each vertex into disjoint subsets using their edge statistics to different communities. Our algorithm is the first low-order polynomial-time algorithm achieving exact matching between two correlated SBMs with high probability in dense graphs.

A legal knowledge graph constructed from court cases, judgments, laws and other legal documents can enable a number of applications like question answering, document similarity, and search. While the use of knowledge graphs for distant supervision in NLP tasks is well researched, using knowledge graphs for downstream graph tasks like node similarity presents challenges in selecting node types and their features. In this demo, we describe our solution for predicting similar nodes in a case graph derived from our legal knowledge graph.

We present network embedding algorithms that capture information about a node from the local distribution over node attributes around it, as observed over random walks following an approach similar to Skip-gram. Observations from neighborhoods of different sizes are either pooled (AE) or encoded distinctly in a multi-scale approach (MUSAE). Capturing attribute-neighborhood relationships over multiple scales is useful for a diverse range of applications, including latent feature identification across disconnected networks with similar attributes. We prove theoretically that matrices of node-feature pointwise mutual information are implicitly factorized by the embeddings. Experiments show that our algorithms are robust, computationally efficient and outperform comparable models on social networks and web graphs.

When dealing with electro or magnetoencephalography records, many supervised prediction tasks are solved by working with covariance matrices to summarize the signals. Learning with these matrices requires using Riemanian geometry to account for their structure. In this paper, we propose a new method to deal with distributions of covariance matrices and demonstrate its computational efficiency on M/EEG multivariate time series. More specifically, we define a Sliced-Wasserstein distance between measures of symmetric positive definite matrices that comes with strong theoretical guarantees. Then, we take advantage of its properties and kernel methods to apply this distance to brain-age prediction from MEG data and compare it to state-of-the-art algorithms based on Riemannian geometry. Finally, we show that it is an efficient surrogate to the Wasserstein distance in domain adaptation for Brain Computer Interface applications.

We have built a music similarity search engine that lets video producers search by listenable music excerpts, as a complement to traditional full-text search. Our system suggests similar sounding track segments in a large music catalog by training a self-supervised convolutional neural network with triplet loss terms and musical transformations. Semi-structured user interviews demonstrate that we can successfully impress professional video producers with the quality of the search experience, and perceived similarities to query tracks averaged 7.8/10 in user testing. We believe this search tool will make for a more natural search experience that is easier to find music to soundtrack videos with.

In this paper, we propose a speed-up approach for subclass discriminant analysis and formulate a novel efficient multi-view solution to it. The speed-up approach is developed based on graph embedding and spectral regression approaches that involve eigendecomposition of the corresponding Laplacian matrix and regression to its eigenvectors. We show that by exploiting the structure of the between-class Laplacian matrix, the eigendecomposition step can be substituted with a much faster process. Furthermore, we formulate a novel criterion for multi-view subclass discriminant analysis and show that an efficient solution for it can be obtained in a similar to the single-view manner. We evaluate the proposed methods on nine single-view and nine multi-view datasets and compare them with related existing approaches. Experimental results show that the proposed solutions achieve competitive performance, often outperforming the existing methods. At the same time, they significantly decrease the training time.

In the realms of computer vision, it is evident that deep neural networks perform better in a supervised setting with a large amount of labeled data. The representations learned with supervision are not only of high quality but also helps the model in enhancing its accuracy. However, the collection and annotation of a large dataset are costly and time-consuming. To avoid the same, there has been a lot of research going on in the field of unsupervised visual representation learning especially in a self-supervised setting. Amongst the recent advancements in self-supervised methods for visual recognition, in SimCLR Chen et al. shows that good quality representations can indeed be learned without explicit supervision. In SimCLR, the authors maximize the similarity of augmentations of the same image and minimize the similarity of augmentations of different images. A linear classifier trained with the representations learned using this approach yields 76.5% top-1 accuracy on the ImageNet ILSVRC-2012 dataset. In this work, we propose that, with the normalized temperature-scaled cross-entropy (NT-Xent) loss function (as used in SimCLR), it is beneficial to not have images of the same category in the same batch. In an unsupervised setting, the information of images pertaining to the same category is missing. We use the latent space representation of a denoising autoencoder trained on the unlabeled dataset and cluster them with k-means to obtain pseudo labels. With this apriori information we batch images, where no two images from the same category are to be found. We report comparable performance enhancements on the CIFAR10 dataset and a subset of the ImageNet dataset. We refer to our method as G-SimCLR.

The 2021 Image Similarity Challenge introduced a dataset to serve as a new benchmark to evaluate recent image copy detection methods. There were 200 participants to the competition. This paper presents a quantitative and qualitative analysis of the top submissions. It appears that the most difficult image transformations involve either severe image crops or hiding into unrelated images, combined with local pixel perturbations. The key algorithmic elements in the winning submissions are: training on strong augmentations, self-supervised learning, score normalization, explicit overlay detection, and global descriptor matching followed by pairwise image comparison.

The advent of deep perceptual networks brought about a paradigm shift in machine vision and image perception. Image apprehension lately carried out by hand-crafted features in the latent space have been replaced by deep features acquired from supervised networks for improved understanding. However, such deep networks require strict supervision with a substantial amount of the labeled data for authentic training process. These methods perform poorly in domains lacking labeled data especially in case of remote sensing image retrieval. Resolving this, we propose an unsupervised encoder-decoder feature for remote sensing image matching (RSIM). Moreover, we replace the conventional distance metrics with a deep discriminator network to identify the similarity of the image pairs. To the best of our knowledge, discriminator network has never been used before for solving RSIM problem. Results have been validated with two publicly available benchmark remote sensing image datasets. The technique has also been investigated for content-based remote sensing image retrieval (CBRSIR); one of the widely used applications of RSIM. Results demonstrate that our technique supersedes the state-of-the-art methods used for unsupervised image matching with mean average precision (mAP) of 81%, and image retrieval with an overall improvement in mAP score of about 12%.

Session-based recommender systems (SBRSs) have shown superior performance over conventional methods. However, they show limited scalability on large-scale industrial datasets since most models learn one embedding per item. This leads to a large memory requirement (of storing one vector per item) and poor performance on sparse sessions with cold-start or unpopular items. Using one public and one large industrial dataset, we experimentally show that state-of-the-art SBRSs have low performance on sparse sessions with sparse items. We propose M2TRec, a Metadata-aware Multi-task Transformer model for session-based recommendations. Our proposed method learns a transformation function from item metadata to embeddings, and is thus, item-ID free (i.e., does not need to learn one embedding per item). It integrates item metadata to learn shared representations of diverse item attributes. During inference, new or unpopular items will be assigned identical representations for the attributes they share with items previously observed during training, and thus will have similar representations with those items, enabling recommendations of even cold-start and sparse items. Additionally, M2TRec is trained in a multi-task setting to predict the next item in the session along with its primary category and subcategories. Our multi-task strategy makes the model converge faster and significantly improves the overall performance. Experimental results show significant performance gains using our proposed approach on sparse items on the two datasets.

Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.

We propose a new technique, Singular Vector Canonical Correlation Analysis (SVCCA), a tool for quickly comparing two representations in a way that is both invariant to affine transform (allowing comparison between different layers and networks) and fast to compute (allowing more comparisons to be calculated than with previous methods). We deploy this tool to measure the intrinsic dimensionality of layers, showing in some cases needless over-parameterization; to probe learning dynamics throughout training, finding that networks converge to final representations from the bottom up; to show where class-specific information in networks is formed; and to suggest new training regimes that simultaneously save computation and overfit less. Code: https://github.com/google/svcca/

In this paper, we propose SimLM (Similarity matching with Language Model pre-training), a simple yet effective pre-training method for dense passage retrieval. It employs a simple bottleneck architecture that learns to compress the passage information into a dense vector through self-supervised pre-training. We use a replaced language modeling objective, which is inspired by ELECTRA, to improve the sample efficiency and reduce the mismatch of the input distribution between pre-training and fine-tuning. SimLM only requires access to unlabeled corpus, and is more broadly applicable when there are no labeled data or queries. We conduct experiments on several large-scale passage retrieval datasets, and show substantial improvements over strong baselines under various settings. Remarkably, SimLM even outperforms multi-vector approaches such as ColBERTv2 which incurs significantly more storage cost.

Classical models of memory in psychology and neuroscience rely on similarity-based retrieval of stored patterns, where similarity is a function of retrieval cues and the stored patterns. While parsimonious, these models do not allow distinct representations for storage and retrieval, despite their distinct computational demands. Key-value memory systems, in contrast, distinguish representations used for storage (values) and those used for retrieval (keys). This allows key-value memory systems to optimize simultaneously for fidelity in storage and discriminability in retrieval. We review the computational foundations of key-value memory, its role in modern machine learning systems, related ideas from psychology and neuroscience, applications to a number of empirical puzzles, and possible biological implementations.

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/.

This work builds upon previous efforts in online incremental learning, namely the Incremental Gaussian Mixture Network (IGMN). The IGMN is capable of learning from data streams in a single-pass by improving its model after analyzing each data point and discarding it thereafter. Nevertheless, it suffers from the scalability point-of-view, due to its asymptotic time complexity of Obigl(NKD^3bigr) for N data points, K Gaussian components and D dimensions, rendering it inadequate for high-dimensional data. In this paper, we manage to reduce this complexity to Obigl(NKD^2bigr) by deriving formulas for working directly with precision matrices instead of covariance matrices. The final result is a much faster and scalable algorithm which can be applied to high dimensional tasks. This is confirmed by applying the modified algorithm to high-dimensional classification datasets.

While it is nearly effortless for humans to quickly assess the perceptual similarity between two images, the underlying processes are thought to be quite complex. Despite this, the most widely used perceptual metrics today, such as PSNR and SSIM, are simple, shallow functions, and fail to account for many nuances of human perception. Recently, the deep learning community has found that features of the VGG network trained on ImageNet classification has been remarkably useful as a training loss for image synthesis. But how perceptual are these so-called "perceptual losses"? What elements are critical for their success? To answer these questions, we introduce a new dataset of human perceptual similarity judgments. We systematically evaluate deep features across different architectures and tasks and compare them with classic metrics. We find that deep features outperform all previous metrics by large margins on our dataset. More surprisingly, this result is not restricted to ImageNet-trained VGG features, but holds across different deep architectures and levels of supervision (supervised, self-supervised, or even unsupervised). Our results suggest that perceptual similarity is an emergent property shared across deep visual representations.

Foundation models rely on large-scale web-crawled datasets, which frequently contain noisy data, biases, and irrelevant content. Existing data selection techniques typically use human heuristics, downstream evaluation datasets, or specialized scoring models, and can overlook samples' utility in the training process. Instead, we propose a new approach, Mimic Score, a data quality metric that uses a pretrained reference model as a guide to assess the usefulness of data samples for training a new model. It relies on the alignment between the gradient of the new model parameters and the vector pointing toward the reference model in weight space. Samples that misalign with this direction are considered low-value and can be filtered out. Motivated by the Mimic score, we develop Grad-Mimic, a data selection framework that identifies and prioritizes useful samples, automating the selection process to create effective filters. Empirically, using Mimic scores to guide model training results in consistent performance gains across six image datasets and enhances the performance of CLIP models. Moreover, Mimic scores and their associated filters improve upon existing filtering methods and offer accurate estimation of dataset quality.

Contrastive Language and Image Pairing (CLIP), a transformative method in multimedia retrieval, typically trains two neural networks concurrently to generate joint embeddings for text and image pairs. However, when applied directly, these models often struggle to differentiate between visually distinct images that have similar captions, resulting in suboptimal performance for image-based similarity searches. This paper addresses the challenge of optimizing CLIP models for various image-based similarity search scenarios, while maintaining their effectiveness in text-based search tasks such as text-to-image retrieval and zero-shot classification. We propose and evaluate two novel methods aimed at refining the retrieval capabilities of CLIP without compromising the alignment between text and image embeddings. The first method involves a sequential fine-tuning process: initially optimizing the image encoder for more precise image retrieval and subsequently realigning the text encoder to these optimized image embeddings. The second approach integrates pseudo-captions during the retrieval-optimization phase to foster direct alignment within the embedding space. Through comprehensive experiments, we demonstrate that these methods enhance CLIP's performance on various benchmarks, including image retrieval, k-NN classification, and zero-shot text-based classification, while maintaining robustness in text-to-image retrieval. Our optimized models permit maintaining a single embedding per image, significantly simplifying the infrastructure needed for large-scale multi-modal similarity search systems.

A key feature of neural models is that they can produce semantic vector representations of objects (texts, images, speech, etc.) ensuring that similar objects are close to each other in the vector space. While much work has focused on learning representations for other modalities, there are no aligned cross-modal representations for text and knowledge base (KB) elements. One challenge for learning such representations is the lack of parallel data, which we use contrastive training on heuristics-based datasets and data augmentation to overcome, training embedding models on (KB graph, text) pairs. On WebNLG, a cleaner manually crafted dataset, we show that they learn aligned representations suitable for retrieval. We then fine-tune on annotated data to create EREDAT (Ensembled Representations for Evaluation of DAta-to-Text), a similarity metric between English text and KB graphs. EREDAT outperforms or matches state-of-the-art metrics in terms of correlation with human judgments on WebNLG even though, unlike them, it does not require a reference text to compare against.

Matrix manifolds, such as manifolds of Symmetric Positive Definite (SPD) matrices and Grassmann manifolds, appear in many applications. Recently, by applying the theory of gyrogroups and gyrovector spaces that is a powerful framework for studying hyperbolic geometry, some works have attempted to build principled generalizations of Euclidean neural networks on matrix manifolds. However, due to the lack of many concepts in gyrovector spaces for the considered manifolds, e.g., the inner product and gyroangles, techniques and mathematical tools provided by these works are still limited compared to those developed for studying hyperbolic geometry. In this paper, we generalize some notions in gyrovector spaces for SPD and Grassmann manifolds, and propose new models and layers for building neural networks on these manifolds. We show the effectiveness of our approach in two applications, i.e., human action recognition and knowledge graph completion.

In text-video retrieval, the objective is to learn a cross-modal similarity function between a text and a video that ranks relevant text-video pairs higher than irrelevant pairs. However, videos inherently express a much wider gamut of information than texts. Instead, texts often capture sub-regions of entire videos and are most semantically similar to certain frames within videos. Therefore, for a given text, a retrieval model should focus on the text's most semantically similar video sub-regions to make a more relevant comparison. Yet, most existing works aggregate entire videos without directly considering text. Common text-agnostic aggregations schemes include mean-pooling or self-attention over the frames, but these are likely to encode misleading visual information not described in the given text. To address this, we propose a cross-modal attention model called X-Pool that reasons between a text and the frames of a video. Our core mechanism is a scaled dot product attention for a text to attend to its most semantically similar frames. We then generate an aggregated video representation conditioned on the text's attention weights over the frames. We evaluate our method on three benchmark datasets of MSR-VTT, MSVD and LSMDC, achieving new state-of-the-art results by up to 12% in relative improvement in Recall@1. Our findings thereby highlight the importance of joint text-video reasoning to extract important visual cues according to text. Full code and demo can be found at: https://layer6ai-labs.github.io/xpool/

How can we discover join relationships among columns of tabular data in a data repository? Can this be done effectively when metadata is missing? Traditional column matching works mainly rely on similarity measures based on exact value overlaps, hence missing important semantics or failing to handle noise in the data. At the same time, recent dataset discovery methods focusing on deep table representation learning techniques, do not take into consideration the rich set of column similarity signals found in prior matching and discovery methods. Finally, existing methods heavily depend on user-provided similarity thresholds, hindering their deployability in real-world settings. In this paper, we propose OmniMatch, a novel join discovery technique that detects equi-joins and fuzzy-joins betwen columns by combining column-pair similarity measures with Graph Neural Networks (GNNs). OmniMatch's GNN can capture column relatedness leveraging graph transitivity, significantly improving the recall of join discovery tasks. At the same time, OmniMatch also increases the precision by augmenting its training data with negative column join examples through an automated negative example generation process. Most importantly, compared to the state-of-the-art matching and discovery methods, OmniMatch exhibits up to 14% higher effectiveness in F1 score and AUC without relying on metadata or user-provided thresholds for each similarity metric.

There is extensive interest in metric learning methods for image retrieval. Many metric learning loss functions focus on learning a correct ranking of training samples, but strongly overfit semantically inconsistent labels and require a large amount of data. To address these shortcomings, we propose a new metric learning method, called contextual loss, which optimizes contextual similarity in addition to cosine similarity. Our contextual loss implicitly enforces semantic consistency among neighbors while converging to the correct ranking. We empirically show that the proposed loss is more robust to label noise, and is less prone to overfitting even when a large portion of train data is withheld. Extensive experiments demonstrate that our method achieves a new state-of-the-art across four image retrieval benchmarks and multiple different evaluation settings. Code is available at: https://github.com/Chris210634/metric-learning-using-contextual-similarity

In continual learning, catastrophic forgetting is affected by multiple aspects of the tasks. Previous works have analyzed separately how forgetting is affected by either task similarity or overparameterization. In contrast, our paper examines how task similarity and overparameterization jointly affect forgetting in an analyzable model. Specifically, we focus on two-task continual linear regression, where the second task is a random orthogonal transformation of an arbitrary first task (an abstraction of random permutation tasks). We derive an exact analytical expression for the expected forgetting - and uncover a nuanced pattern. In highly overparameterized models, intermediate task similarity causes the most forgetting. However, near the interpolation threshold, forgetting decreases monotonically with the expected task similarity. We validate our findings with linear regression on synthetic data, and with neural networks on established permutation task benchmarks.

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).

In recent years supervised representation learning has provided state of the art or close to the state of the art results in semantic analysis tasks including ranking and information retrieval. The core idea is to learn how to embed items into a latent space such that they optimize a supervised objective in that latent space. The dimensions of the latent space have no clear semantics, and this reduces the interpretability of the system. For example, in personalization models, it is hard to explain why a particular item is ranked high for a given user profile. We propose a novel model of representation learning called Supervised Explicit Semantic Analysis (SESA) that is trained in a supervised fashion to embed items to a set of dimensions with explicit semantics. The model learns to compare two objects by representing them in this explicit space, where each dimension corresponds to a concept from a knowledge base. This work extends Explicit Semantic Analysis (ESA) with a supervised model for ranking problems. We apply this model to the task of Job-Profile relevance in LinkedIn in which a set of skills defines our explicit dimensions of the space. Every profile and job are encoded to this set of skills their similarity is calculated in this space. We use RNNs to embed text input into this space. In addition to interpretability, our model makes use of the web-scale collaborative skills data that is provided by users for each LinkedIn profile. Our model provides state of the art result while it remains interpretable.

Visual retrieval systems face significant challenges when updating models with improved representations due to misalignment between the old and new representations. The costly and resource-intensive backfilling process involves recalculating feature vectors for images in the gallery set whenever a new model is introduced. To address this, prior research has explored backward-compatible training methods that enable direct comparisons between new and old representations without backfilling. Despite these advancements, achieving a balance between backward compatibility and the performance of independently trained models remains an open problem. In this paper, we address it by expanding the representation space with additional dimensions and learning an orthogonal transformation to achieve compatibility with old models and, at the same time, integrate new information. This transformation preserves the original feature space's geometry, ensuring that our model aligns with previous versions while also learning new data. Our Orthogonal Compatible Aligned (OCA) approach eliminates the need for re-indexing during model updates and ensures that features can be compared directly across different model updates without additional mapping functions. Experimental results on CIFAR-100 and ImageNet-1k demonstrate that our method not only maintains compatibility with previous models but also achieves state-of-the-art accuracy, outperforming several existing methods.

We study the classic Text-to-Pattern Hamming Distances problem: given a pattern P of length m and a text T of length n, both over a polynomial-size alphabet, compute the Hamming distance between P and T[i, ., . , i+m-1] for every shift i, under the standard Word-RAM model with Theta(log n)-bit words. - We provide an O(nm) time Las Vegas randomized algorithm for this problem, beating the decades-old O(n m log m) running time [Abrahamson, SICOMP 1987]. We also obtain a deterministic algorithm, with a slightly higher O(nm(log mloglog m)^{1/4}) running time. Our randomized algorithm extends to the k-bounded setting, with running time Obig(n+nk{m}big), removing all the extra logarithmic factors from earlier algorithms [Gawrychowski and Uzna\'{n}ski, ICALP 2018; Chan, Golan, Kociumaka, Kopelowitz and Porat, STOC 2020]. - For the (1+epsilon)-approximate version of Text-to-Pattern Hamming Distances, we give an O(epsilon^{-0.93}n) time Monte Carlo randomized algorithm, beating the previous O(epsilon^{-1}n) running time [Kopelowitz and Porat, FOCS 2015; Kopelowitz and Porat, SOSA 2018]. Our approximation algorithm exploits a connection with 3SUM, and uses a combination of Fredman's trick, equality matrix product, and random sampling; in particular, we obtain new results on approximate counting versions of 3SUM and Exact Triangle, which may be of independent interest. Our exact algorithms use a novel combination of hashing, bit-packed FFT, and recursion; in particular, we obtain a faster algorithm for computing the sumset of two integer sets, in the regime when the universe size is close to quadratic in the number of elements. We also prove a fine-grained equivalence between the exact Text-to-Pattern Hamming Distances problem and a range-restricted, counting version of 3SUM.

The rapid expansion of genomic sequence data calls for new methods to achieve robust sequence representations. Existing techniques often neglect intricate structural details, emphasizing mainly contextual information. To address this, we developed k-mer embeddings that merge contextual and structural string information by enhancing De Bruijn graphs with structural similarity connections. Subsequently, we crafted a self-supervised method based on Contrastive Learning that employs a heterogeneous Graph Convolutional Network encoder and constructs positive pairs based on node similarities. Our embeddings consistently outperform prior techniques for Edit Distance Approximation and Closest String Retrieval tasks.

In recent years there has been a shift from heuristics-based malware detection towards machine learning, which proves to be more robust in the current heavily adversarial threat landscape. While we acknowledge machine learning to be better equipped to mine for patterns in the increasingly high amounts of similar-looking files, we also note a remarkable scarcity of the data available for similarity-targeted research. Moreover, we observe that the focus in the few related works falls on quantifying similarity in malware, often overlooking the clean data. This one-sided quantification is especially dangerous in the context of detection bypass. We propose to address the deficiencies in the space of similarity research on binary files, starting from EMBER - one of the largest malware classification data sets. We enhance EMBER with similarity information as well as malware class tags, to enable further research in the similarity space. Our contribution is threefold: (1) we publish EMBERSim, an augmented version of EMBER, that includes similarity-informed tags; (2) we enrich EMBERSim with automatically determined malware class tags using the open-source tool AVClass on VirusTotal data and (3) we describe and share the implementation for our class scoring technique and leaf similarity method.

Recently, the retrieval models based on dense representations have been gradually applied in the first stage of the document retrieval tasks, showing better performance than traditional sparse vector space models. To obtain high efficiency, the basic structure of these models is Bi-encoder in most cases. However, this simple structure may cause serious information loss during the encoding of documents since the queries are agnostic. To address this problem, we design a method to mimic the queries on each of the documents by an iterative clustering process and represent the documents by multiple pseudo queries (i.e., the cluster centroids). To boost the retrieval process using approximate nearest neighbor search library, we also optimize the matching function with a two-step score calculation procedure. Experimental results on several popular ranking and QA datasets show that our model can achieve state-of-the-art results.

Devising indicative evaluation metrics for the image generation task remains an open problem. The most widely used metric for measuring the similarity between real and generated images has been the Fr\'echet Inception Distance (FID) score. Because it does not differentiate the fidelity and diversity aspects of the generated images, recent papers have introduced variants of precision and recall metrics to diagnose those properties separately. In this paper, we show that even the latest version of the precision and recall metrics are not reliable yet. For example, they fail to detect the match between two identical distributions, they are not robust against outliers, and the evaluation hyperparameters are selected arbitrarily. We propose density and coverage metrics that solve the above issues. We analytically and experimentally show that density and coverage provide more interpretable and reliable signals for practitioners than the existing metrics. Code: https://github.com/clovaai/generative-evaluation-prdc.

Ad-hoc Video Search (AVS) enables users to search for unlabeled video content using on-the-fly textual queries. Current deep learning-based models for AVS are trained to optimize holistic similarity between short videos and their associated descriptions. However, due to the diversity of ad-hoc queries, even for a short video, its truly relevant part w.r.t. a given query can be of shorter duration. In such a scenario, the holistic similarity becomes suboptimal. To remedy the issue, we propose in this paper CLIPRerank, a fine-grained re-scoring method. We compute cross-modal similarities between query and video frames using a pre-trained CLIP model, with multi-frame scores aggregated by max pooling. The fine-grained score is weightedly added to the initial score for search result reranking. As such, CLIPRerank is agnostic to the underlying video retrieval models and extremely simple, making it a handy plug-in for boosting AVS. Experiments on the challenging TRECVID AVS benchmarks (from 2016 to 2021) justify the effectiveness of the proposed strategy. CLIPRerank consistently improves the TRECVID top performers and multiple existing models including SEA, W2VV++, Dual Encoding, Dual Task, LAFF, CLIP2Video, TS2-Net and X-CLIP. Our method also works when substituting BLIP-2 for CLIP.

We present an algorithm for searching image collections using free-hand sketches that describe the appearance and relative positions of multiple objects. Sketch based image retrieval (SBIR) methods predominantly match queries containing a single, dominant object invariant to its position within an image. Our work exploits drawings as a concise and intuitive representation for specifying entire scene compositions. We train a convolutional neural network (CNN) to encode masked visual features from sketched objects, pooling these into a spatial descriptor encoding the spatial relationships and appearances of objects in the composition. Training the CNN backbone as a Siamese network under triplet loss yields a metric search embedding for measuring compositional similarity which may be efficiently leveraged for visual search by applying product quantization.

Semantic Textual Similarity (STS) measures the meaning similarity of sentences. Applications include machine translation (MT), summarization, generation, question answering (QA), short answer grading, semantic search, dialog and conversational systems. The STS shared task is a venue for assessing the current state-of-the-art. The 2017 task focuses on multilingual and cross-lingual pairs with one sub-track exploring MT quality estimation (MTQE) data. The task obtained strong participation from 31 teams, with 17 participating in all language tracks. We summarize performance and review a selection of well performing methods. Analysis highlights common errors, providing insight into the limitations of existing models. To support ongoing work on semantic representations, the STS Benchmark is introduced as a new shared training and evaluation set carefully selected from the corpus of English STS shared task data (2012-2017).

Transformers can learn to perform numerical computations from examples only. I study nine problems of linear algebra, from basic matrix operations to eigenvalue decomposition and inversion, and introduce and discuss four encoding schemes to represent real numbers. On all problems, transformers trained on sets of random matrices achieve high accuracies (over 90%). The models are robust to noise, and can generalize out of their training distribution. In particular, models trained to predict Laplace-distributed eigenvalues generalize to different classes of matrices: Wigner matrices or matrices with positive eigenvalues. The reverse is not true.

CLIP (Contrastive Language-Image Pretraining) has become a popular choice for various downstream tasks. However, recent studies have questioned its ability to represent compositional concepts effectively. These works suggest that CLIP often acts like a bag-of-words (BoW) model, interpreting images and text as sets of individual concepts without grasping the structural relationships. In particular, CLIP struggles to correctly bind attributes to their corresponding objects when multiple objects are present in an image or text. In this work, we investigate why CLIP exhibits this BoW-like behavior. We find that the correct attribute-object binding information is already present in individual text and image modalities. Instead, the issue lies in the cross-modal alignment, which relies on cosine similarity. To address this, we propose Linear Attribute Binding CLIP or LABCLIP. It applies a linear transformation to text embeddings before computing cosine similarity. This approach significantly improves CLIP's ability to bind attributes to correct objects, thereby enhancing its compositional understanding.

Representational analysis explores how input data of a neural system are encoded in high dimensional spaces of its distributed neural activations, and how we can compare different systems, for instance, artificial neural networks and brains, on those grounds. While existing methods offer important insights, they typically do not account for local intrinsic geometrical properties within the high-dimensional representation spaces. To go beyond these limitations, we explore Ollivier-Ricci curvature and Ricci flow as tools to study the alignment of representations between humans and artificial neural systems on a geometric level. As a proof-of-principle study, we compared the representations of face stimuli between VGG-Face, a human-aligned version of VGG-Face, and corresponding human similarity judgments from a large online study. Using this discrete geometric framework, we were able to identify local structural similarities and differences by examining the distributions of node and edge curvature and higher-level properties by detecting and comparing community structure in the representational graphs.

Projection maintenance is one of the core data structure tasks. Efficient data structures for projection maintenance have led to recent breakthroughs in many convex programming algorithms. In this work, we further extend this framework to the Kronecker product structure. Given a constraint matrix {sf A} and a positive semi-definite matrix Win R^{ntimes n} with a sparse eigenbasis, we consider the task of maintaining the projection in the form of {sf B}^top({sf B}{sf B}^top)^{-1}{sf B}, where {sf B}={sf A}(Wotimes I) or {sf B}={sf A}(W^{1/2}otimes W^{1/2}). At each iteration, the weight matrix W receives a low rank change and we receive a new vector h. The goal is to maintain the projection matrix and answer the query {sf B}^top({sf B}{sf B}^top)^{-1}{sf B}h with good approximation guarantees. We design a fast dynamic data structure for this task and it is robust against an adaptive adversary. Following the beautiful and pioneering work of [Beimel, Kaplan, Mansour, Nissim, Saranurak and Stemmer, STOC'22], we use tools from differential privacy to reduce the randomness required by the data structure and further improve the running time.

This paper presents a simple yet effective approach to modeling space-time correspondences in the context of video object segmentation. Unlike most existing approaches, we establish correspondences directly between frames without re-encoding the mask features for every object, leading to a highly efficient and robust framework. With the correspondences, every node in the current query frame is inferred by aggregating features from the past in an associative fashion. We cast the aggregation process as a voting problem and find that the existing inner-product affinity leads to poor use of memory with a small (fixed) subset of memory nodes dominating the votes, regardless of the query. In light of this phenomenon, we propose using the negative squared Euclidean distance instead to compute the affinities. We validated that every memory node now has a chance to contribute, and experimentally showed that such diversified voting is beneficial to both memory efficiency and inference accuracy. The synergy of correspondence networks and diversified voting works exceedingly well, achieves new state-of-the-art results on both DAVIS and YouTubeVOS datasets while running significantly faster at 20+ FPS for multiple objects without bells and whistles.

Metric space magnitude, an active field of research in algebraic topology, is a scalar quantity that summarizes the effective number of distinct points that live in a general metric space. The {\em weighting vector} is a closely-related concept that captures, in a nontrivial way, much of the underlying geometry of the original metric space. Recent work has demonstrated that when the metric space is Euclidean, the weighting vector serves as an effective tool for boundary detection. We recast this result and show the weighting vector may be viewed as a solution to a kernelized SVM. As one consequence, we apply this new insight to the task of outlier detection, and we demonstrate performance that is competitive or exceeds performance of state-of-the-art techniques on benchmark data sets. Under mild assumptions, we show the weighting vector, which has computational cost of matrix inversion, can be efficiently approximated in linear time. We show how nearest neighbor methods can approximate solutions to the minimization problems defined by SVMs.

We study neural network loss landscapes through the lens of mode connectivity, the observation that minimizers of neural networks retrieved via training on a dataset are connected via simple paths of low loss. Specifically, we ask the following question: are minimizers that rely on different mechanisms for making their predictions connected via simple paths of low loss? We provide a definition of mechanistic similarity as shared invariances to input transformations and demonstrate that lack of linear connectivity between two models implies they use dissimilar mechanisms for making their predictions. Relevant to practice, this result helps us demonstrate that naive fine-tuning on a downstream dataset can fail to alter a model's mechanisms, e.g., fine-tuning can fail to eliminate a model's reliance on spurious attributes. Our analysis also motivates a method for targeted alteration of a model's mechanisms, named connectivity-based fine-tuning (CBFT), which we analyze using several synthetic datasets for the task of reducing a model's reliance on spurious attributes.

Effective approaches that can scale embedding model depth (i.e. layers) and embedding size allow for the creation of models that are highly scalable across different computational resources and task requirements. While the recently proposed 2D Matryoshka training approach can efficiently produce a single embedding model such that its sub-layers and sub-dimensions can measure text similarity, its effectiveness is significantly worse than if smaller models were trained separately. To address this issue, we propose Starbucks, a new training strategy for Matryoshka-like embedding models, which encompasses both the fine-tuning and pre-training phases. For the fine-tuning phase, we discover that, rather than sampling a random sub-layer and sub-dimensions for each training steps, providing a fixed list of layer-dimension pairs, from small size to large sizes, and computing the loss across all pairs significantly improves the effectiveness of 2D Matryoshka embedding models, bringing them on par with their separately trained counterparts. To further enhance performance, we introduce a new pre-training strategy, which applies masked autoencoder language modelling to sub-layers and sub-dimensions during pre-training, resulting in a stronger backbone for subsequent fine-tuning of the embedding model. Experimental results on both semantic text similarity and retrieval benchmarks demonstrate that the proposed pre-training and fine-tuning strategies significantly improved the effectiveness over 2D Matryoshka models, enabling Starbucks models to perform more efficiently and effectively than separately trained models.

Artificial neural networks are being proposed as models of parts of the brain. The networks are compared to recordings of biological neurons, and good performance in reproducing neural responses is considered to support the model's validity. A key question is how much this system identification approach tells us about brain computation. Does it validate one model architecture over another? We evaluate the most commonly used comparison techniques, such as a linear encoding model and centered kernel alignment, to correctly identify a model by replacing brain recordings with known ground truth models. System identification performance is quite variable; it also depends significantly on factors independent of the ground truth architecture, such as stimuli images. In addition, we show the limitations of using functional similarity scores in identifying higher-level architectural motifs.

Image copy detection and retrieval from large databases leverage two components. First, a neural network maps an image to a vector representation, that is relatively robust to various transformations of the image. Second, an efficient but approximate similarity search algorithm trades scalability (size and speed) against quality of the search, thereby introducing a source of error. This paper improves the robustness of image copy detection with active indexing, that optimizes the interplay of these two components. We reduce the quantization loss of a given image representation by making imperceptible changes to the image before its release. The loss is back-propagated through the deep neural network back to the image, under perceptual constraints. These modifications make the image more retrievable. Our experiments show that the retrieval and copy detection of activated images is significantly improved. For instance, activation improves by +40% the Recall1@1 on various image transformations, and for several popular indexing structures based on product quantization and locality sensitivity hashing.

Few-shot fine-grained classification and person search appear as distinct tasks and literature has treated them separately. But a closer look unveils important similarities: both tasks target categories that can only be discriminated by specific object details; and the relevant models should generalize to new categories, not seen during training. We propose a novel unified Query-Guided Network (QGN) applicable to both tasks. QGN consists of a Query-guided Siamese-Squeeze-and-Excitation subnetwork which re-weights both the query and gallery features across all network layers, a Query-guided Region Proposal subnetwork for query-specific localisation, and a Query-guided Similarity subnetwork for metric learning. QGN improves on a few recent few-shot fine-grained datasets, outperforming other techniques on CUB by a large margin. QGN also performs competitively on the person search CUHK-SYSU and PRW datasets, where we perform in-depth analysis.

We propose two novel model architectures for computing continuous vector representations of words from very large data sets. The quality of these representations is measured in a word similarity task, and the results are compared to the previously best performing techniques based on different types of neural networks. We observe large improvements in accuracy at much lower computational cost, i.e. it takes less than a day to learn high quality word vectors from a 1.6 billion words data set. Furthermore, we show that these vectors provide state-of-the-art performance on our test set for measuring syntactic and semantic word similarities.

Vector similarity search presents significant challenges in terms of scalability for large and high-dimensional datasets, as well as in providing native support for hybrid queries. Serverless computing and cloud functions offer attractive benefits such as elasticity and cost-effectiveness, but are difficult to apply to data-intensive workloads. Jointly addressing these two main challenges, we present SQUASH, the first fully serverless vector search solution with rich support for hybrid queries. It features OSQ, an optimized and highly parallelizable quantization-based approach for vectors and attributes. Its segment-based storage mechanism enables significant compression in resource-constrained settings and offers efficient dimensional extraction operations. SQUASH performs a single distributed pass to guarantee the return of sufficiently many vectors satisfying the filter predicate, achieving high accuracy and avoiding redundant computation for vectors which fail the predicate. A multi-level search workflow is introduced to prune most vectors early to minimize the load on Function-as-a-Service (FaaS) instances. SQUASH is designed to identify and utilize retention of relevant data in re-used runtime containers, which eliminates redundant I/O and reduces costs. Finally, we demonstrate a new tree-based method for rapid FaaS invocation, enabling the bi-directional flow of data via request/response payloads. Experiments comparing SQUASH with state-of-the-art serverless vector search solutions and server-based baselines on vector search benchmarks confirm significant performance improvements at a lower cost.

Dense linear layers are the dominant computational bottleneck in foundation models. Identifying more efficient alternatives to dense matrices has enormous potential for building more compute-efficient models, as exemplified by the success of convolutional networks in the image domain. In this work, we systematically explore structured matrices as replacements for dense matrices. We show that different structures often require drastically different initialization scales and learning rates, which are crucial to performance, especially as models scale. Using insights from the Maximal Update Parameterization, we determine the optimal scaling for initialization and learning rates of these unconventional layers. Finally, we measure the scaling laws of different structures to compare how quickly their performance improves with compute. We propose a novel matrix family containing Monarch matrices, the Block Tensor-Train (BTT), which we show performs better than dense matrices for the same compute on multiple tasks. On CIFAR-10/100 with augmentation, BTT achieves exponentially lower training loss than dense when training MLPs and ViTs. BTT matches dense ViT-S/32 performance on ImageNet-1k with 3.8 times less compute and is more efficient than dense for training small GPT-2 language models.

Neural networks have achieved tremendous success in a large variety of applications. However, their memory footprint and computational demand can render them impractical in application settings with limited hardware or energy resources. In this work, we propose a novel algorithm to find efficient low-rank subnetworks. Remarkably, these subnetworks are determined and adapted already during the training phase and the overall time and memory resources required by both training and evaluating them are significantly reduced. The main idea is to restrict the weight matrices to a low-rank manifold and to update the low-rank factors rather than the full matrix during training. To derive training updates that are restricted to the prescribed manifold, we employ techniques from dynamic model order reduction for matrix differential equations. This allows us to provide approximation, stability, and descent guarantees. Moreover, our method automatically and dynamically adapts the ranks during training to achieve the desired approximation accuracy. The efficiency of the proposed method is demonstrated through a variety of numerical experiments on fully-connected and convolutional networks.

We introduce a flexible framework that produces high-quality almost-exact matches for causal inference. Most prior work in matching uses ad-hoc distance metrics, often leading to poor quality matches, particularly when there are irrelevant covariates. In this work, we learn an interpretable distance metric for matching, which leads to substantially higher quality matches. The learned distance metric stretches the covariate space according to each covariate's contribution to outcome prediction: this stretching means that mismatches on important covariates carry a larger penalty than mismatches on irrelevant covariates. Our ability to learn flexible distance metrics leads to matches that are interpretable and useful for the estimation of conditional average treatment effects.

We present a principled approach to uncover the structure of visual data by solving a novel deep learning task coined visual permutation learning. The goal of this task is to find the permutation that recovers the structure of data from shuffled versions of it. In the case of natural images, this task boils down to recovering the original image from patches shuffled by an unknown permutation matrix. Unfortunately, permutation matrices are discrete, thereby posing difficulties for gradient-based methods. To this end, we resort to a continuous approximation of these matrices using doubly-stochastic matrices which we generate from standard CNN predictions using Sinkhorn iterations. Unrolling these iterations in a Sinkhorn network layer, we propose DeepPermNet, an end-to-end CNN model for this task. The utility of DeepPermNet is demonstrated on two challenging computer vision problems, namely, (i) relative attributes learning and (ii) self-supervised representation learning. Our results show state-of-the-art performance on the Public Figures and OSR benchmarks for (i) and on the classification and segmentation tasks on the PASCAL VOC dataset for (ii).

We study the estimation of a planted signal hidden in a recently introduced nested matrix-tensor model, which is an extension of the classical spiked rank-one tensor model, motivated by multi-view clustering. Prior work has theoretically examined the performance of a tensor-based approach, which relies on finding a best rank-one approximation, a problem known to be computationally hard. A tractable alternative approach consists in computing instead the best rank-one (matrix) approximation of an unfolding of the observed tensor data, but its performance was hitherto unknown. We quantify here the performance gap between these two approaches, in particular by deriving the precise algorithmic threshold of the unfolding approach and demonstrating that it exhibits a BBP-type transition behavior. This work is therefore in line with recent contributions which deepen our understanding of why tensor-based methods surpass matrix-based methods in handling structured tensor data.

Hyperspectral Unmixing (HU) has received increasing attention in the past decades due to its ability of unveiling information latent in hyperspectral data. Unfortunately, most existing methods fail to take advantage of the spatial information in data. To overcome this limitation, we propose a Structured Sparse regularized Nonnegative Matrix Factorization (SS-NMF) method from the following two aspects. First, we incorporate a graph Laplacian to encode the manifold structures embedded in the hyperspectral data space. In this way, the highly similar neighboring pixels can be grouped together. Second, the lasso penalty is employed in SS-NMF for the fact that pixels in the same manifold structure are sparsely mixed by a common set of relevant bases. These two factors act as a new structured sparse constraint. With this constraint, our method can learn a compact space, where highly similar pixels are grouped to share correlated sparse representations. Experiments on real hyperspectral data sets with different noise levels demonstrate that our method outperforms the state-of-the-art methods significantly.

We consider the visual disambiguation task of determining whether a pair of visually similar images depict the same or distinct 3D surfaces (e.g., the same or opposite sides of a symmetric building). Illusory image matches, where two images observe distinct but visually similar 3D surfaces, can be challenging for humans to differentiate, and can also lead 3D reconstruction algorithms to produce erroneous results. We propose a learning-based approach to visual disambiguation, formulating it as a binary classification task on image pairs. To that end, we introduce a new dataset for this problem, Doppelgangers, which includes image pairs of similar structures with ground truth labels. We also design a network architecture that takes the spatial distribution of local keypoints and matches as input, allowing for better reasoning about both local and global cues. Our evaluation shows that our method can distinguish illusory matches in difficult cases, and can be integrated into SfM pipelines to produce correct, disambiguated 3D reconstructions. See our project page for our code, datasets, and more results: http://doppelgangers-3d.github.io/.

Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.

We consider the problem of estimating (diagonally dominant) M-matrices as precision matrices in Gaussian graphical models. These models exhibit intriguing properties, such as the existence of the maximum likelihood estimator with merely two observations for M-matrices lauritzen2019maximum,slawski2015estimation and even one observation for diagonally dominant M-matrices truell2021maximum. We propose an adaptive multiple-stage estimation method that refines the estimate by solving a weighted ell_1-regularized problem at each stage. Furthermore, we develop a unified framework based on the gradient projection method to solve the regularized problem, incorporating distinct projections to handle the constraints of M-matrices and diagonally dominant M-matrices. A theoretical analysis of the estimation error is provided. Our method outperforms state-of-the-art methods in precision matrix estimation and graph edge identification, as evidenced by synthetic and financial time-series data sets.

Supervised machine learning approaches have been increasingly used in accelerating electronic structure prediction as surrogates of first-principle computational methods, such as density functional theory (DFT). While numerous quantum chemistry datasets focus on chemical properties and atomic forces, the ability to achieve accurate and efficient prediction of the Hamiltonian matrix is highly desired, as it is the most important and fundamental physical quantity that determines the quantum states of physical systems and chemical properties. In this work, we generate a new Quantum Hamiltonian dataset, named as QH9, to provide precise Hamiltonian matrices for 999 or 2998 molecular dynamics trajectories and 130,831 stable molecular geometries, based on the QM9 dataset. By designing benchmark tasks with various molecules, we show that current machine learning models have the capacity to predict Hamiltonian matrices for arbitrary molecules. Both the QH9 dataset and the baseline models are provided to the community through an open-source benchmark, which can be highly valuable for developing machine learning methods and accelerating molecular and materials design for scientific and technological applications. Our benchmark is publicly available at https://github.com/divelab/AIRS/tree/main/OpenDFT/QHBench.

The rapid growth of model scale has necessitated substantial computational resources for fine-tuning. Existing approach such as Low-Rank Adaptation (LoRA) has sought to address the problem of handling the large updated parameters in full fine-tuning. However, LoRA utilize random initialization and optimization of low-rank matrices to approximate updated weights, which can result in suboptimal convergence and an accuracy gap compared to full fine-tuning. To address these issues, we propose LoLDU, a Parameter-Efficient Fine-Tuning (PEFT) approach that significantly reduces trainable parameters by 2600 times compared to regular PEFT methods while maintaining comparable performance. LoLDU leverages Lower-Diag-Upper Decomposition (LDU) to initialize low-rank matrices for faster convergence and orthogonality. We focus on optimizing the diagonal matrix for scaling transformations. To the best of our knowledge, LoLDU has the fewest parameters among all PEFT approaches. We conducted extensive experiments across 4 instruction-following datasets, 6 natural language understanding (NLU) datasets, 8 image classification datasets, and image generation datasets with multiple model types (LLaMA2, RoBERTa, ViT, and Stable Diffusion), providing a comprehensive and detailed analysis. Our open-source code can be accessed at https://github.com/SKDDJ/LoLDU{https://github.com/SKDDJ/LoLDU}.

We show how the Schur-Weyl duality that exists between the partition algebra and the symmetric group results in a stronger theoretical foundation for characterising all of the possible permutation equivariant neural networks whose layers are some tensor power of the permutation representation M_n of the symmetric group S_n. In doing so, we unify two separate bodies of literature, and we correct some of the major results that are now widely quoted by the machine learning community. In particular, we find a basis of matrices for the learnable, linear, permutation equivariant layer functions between such tensor power spaces in the standard basis of M_n by using an elegant graphical representation of a basis of set partitions for the partition algebra and its related vector spaces. Also, we show how we can calculate the number of weights that must appear in these layer functions by looking at certain paths through the McKay quiver for M_n. Finally, we describe how our approach generalises to the construction of neural networks that are equivariant to local symmetries.

This research proposes a new recommender system algorithm for online grocery shopping. The algorithm is based on the perspective that, since the grocery items are usually bought in bulk, a grocery recommender system should be capable of recommending the items in bulk. The algorithm figures out the possible dishes a user may cook based on the items added to the basket and recommends the ingredients accordingly. Our algorithm does not depend on the user ratings. Customers usually do not have the patience to rate the groceries they purchase. Therefore, algorithms that are not dependent on user ratings need to be designed. Instead of using a brute force search, this algorithm limits the search space to a set of only a few probably food categories. Each food category consists of several food subcategories. For example, "fried rice" and "biryani" are food subcategories that belong to the food category "rice". For each food category, items are ranked according to how well they can differentiate a food subcategory. To each food subcategory in the activated search space, this algorithm attaches a score. The score is calculated based on the rank of the items added to the basket. Once the score exceeds a threshold value, its corresponding subcategory gets activated. The algorithm then uses a basket-to-recipe similarity measure to identify the best recipe matches within the activated subcategories only. This reduces the search space to a great extent. We may argue that this algorithm is similar to the content-based recommender system in some sense, but it does not suffer from the limitations like limited content, over-specialization, or the new user problem.

Measuring diversity accurately is important for many scientific fields, including machine learning (ML), ecology, and chemistry. The Vendi Score was introduced as a generic similarity-based diversity metric that extends the Hill number of order q=1 by leveraging ideas from quantum statistical mechanics. Contrary to many diversity metrics in ecology, the Vendi Score accounts for similarity and does not require knowledge of the prevalence of the categories in the collection to be evaluated for diversity. However, the Vendi Score treats each item in a given collection with a level of sensitivity proportional to the item's prevalence. This is undesirable in settings where there is a significant imbalance in item prevalence. In this paper, we extend the other Hill numbers using similarity to provide flexibility in allocating sensitivity to rare or common items. This leads to a family of diversity metrics -- Vendi scores with different levels of sensitivity -- that can be used in a variety of applications. We study the properties of the scores in a synthetic controlled setting where the ground truth diversity is known. We then test their utility in improving molecular simulations via Vendi Sampling. Finally, we use the Vendi scores to better understand the behavior of image generative models in terms of memorization, duplication, diversity, and sample quality.

Recently, contrastive learning has been shown to be effective in improving pre-trained language models (PLM) to derive high-quality sentence representations. It aims to pull close positive examples to enhance the alignment while push apart irrelevant negatives for the uniformity of the whole representation space. However, previous works mostly adopt in-batch negatives or sample from training data at random. Such a way may cause the sampling bias that improper negatives (e.g. false negatives and anisotropy representations) are used to learn sentence representations, which will hurt the uniformity of the representation space. To address it, we present a new framework DCLR (Debiased Contrastive Learning of unsupervised sentence Representations) to alleviate the influence of these improper negatives. In DCLR, we design an instance weighting method to punish false negatives and generate noise-based negatives to guarantee the uniformity of the representation space. Experiments on seven semantic textual similarity tasks show that our approach is more effective than competitive baselines. Our code and data are publicly available at the link: blue{https://github.com/RUCAIBox/DCLR}.

Updating a truncated Singular Value Decomposition (SVD) is crucial in representation learning, especially when dealing with large-scale data matrices that continuously evolve in practical scenarios. Aligning SVD-based models with fast-paced updates becomes increasingly important. Existing methods for updating truncated SVDs employ Rayleigh-Ritz projection procedures, where projection matrices are augmented based on original singular vectors. However, these methods suffer from inefficiency due to the densification of the update matrix and the application of the projection to all singular vectors. To address these limitations, we introduce a novel method for dynamically approximating the truncated SVD of a sparse and temporally evolving matrix. Our approach leverages sparsity in the orthogonalization process of augmented matrices and utilizes an extended decomposition to independently store projections in the column space of singular vectors. Numerical experiments demonstrate a remarkable efficiency improvement of an order of magnitude compared to previous methods. Remarkably, this improvement is achieved while maintaining a comparable precision to existing approaches.

Semantic textual similarity (STS) has been a cornerstone task in NLP that measures the degree of similarity between a pair of sentences, with applications in information retrieval, question answering, and embedding methods. However, it is an inherently ambiguous task, with the sentence similarity depending on the specific aspect of interest. We resolve this ambiguity by proposing a novel task called conditional STS (C-STS) which measures similarity conditioned on an aspect elucidated in natural language (hereon, condition). As an example, the similarity between the sentences "The NBA player shoots a three-pointer." and "A man throws a tennis ball into the air to serve." is higher for the condition "The motion of the ball." (both upward) and lower for "The size of the ball." (one large and one small). C-STS's advantages are two-fold: (1) it reduces the subjectivity and ambiguity of STS, and (2) enables fine-grained similarity evaluation using diverse conditions. C-STS contains almost 20,000 instances from diverse domains and we evaluate several state-of-the-art models to demonstrate that even the most performant fine-tuning and in-context learning models (GPT-4, Flan, SimCSE) find it challenging, with Spearman correlation scores of <50. We encourage the community to evaluate their models on C-STS to provide a more holistic view of semantic similarity and natural language understanding.

A crucial component of many deep learning applications (such as FAQ and RAG) is dense retrieval, in which embedding models are used to convert raw text to numerical vectors and then get the most similar text by MIPS (Maximum Inner Product Search). Some text embedding benchmarks (e.g. MTEB, BEIR, and AIR-Bench) have been established to evaluate embedding models accurately. Thanks to these benchmarks, we can use SOTA models; however, the deployment and application of these models in industry were hampered by their large vector dimensions and numerous parameters. To alleviate this problem, 1) we present a distillation technique that can enable a smaller student model to achieve good performance. 2) Inspired by MRL we present a training approach of reducing the vector dimensions based on its own vectors or its teacher vectors. 3) We do simple yet effective alignment training between images and text to make our model a multimodal encoder. We trained Stella and Jasper models using the technologies above and achieved high scores on the MTEB leaderboard. We release the model and data at Hugging Face Hub (https://huggingface.co/infgrad/jasper_en_vision_language_v1) and the training logs are at https://api.wandb.ai/links/dunnzhang0/z8jqoqpb.

Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general framework which unifies many existing GNN models from the view of parameterized decomposition and filtering, and show how it helps to enhance the flexibility of GNNs while alleviating the smoothness and amplification issues of existing models. Essentially, we show that the extensively studied spectral graph convolutions with learnable polynomial filters are constrained variants of this formulation, and releasing these constraints enables our model to express the desired decomposition and filtering simultaneously. Based on this generalized framework, we develop models that are simple in implementation but achieve significant improvements and computational efficiency on a variety of graph learning tasks. Code is available at https://github.com/qslim/PDF.

Self-supervised learning converts raw perceptual data such as images to a compact space where simple Euclidean distances measure meaningful variations in data. In this paper, we extend this formulation by adding additional geometric structure to the embedding space by enforcing transformations of input space to correspond to simple (i.e., linear) transformations of embedding space. Specifically, in the contrastive learning setting, we introduce an equivariance objective and theoretically prove that its minima forces augmentations on input space to correspond to rotations on the spherical embedding space. We show that merely combining our equivariant loss with a non-collapse term results in non-trivial representations, without requiring invariance to data augmentations. Optimal performance is achieved by also encouraging approximate invariance, where input augmentations correspond to small rotations. Our method, CARE: Contrastive Augmentation-induced Rotational Equivariance, leads to improved performance on downstream tasks, and ensures sensitivity in embedding space to important variations in data (e.g., color) that standard contrastive methods do not achieve. Code is available at https://github.com/Sharut/CARE.

Visual recognition of materials and their states is essential for understanding most aspects of the world, from determining whether food is cooked, metal is rusted, or a chemical reaction has occurred. However, current image recognition methods are limited to specific classes and properties and can't handle the vast number of material states in the world. To address this, we present MatSim: the first dataset and benchmark for computer vision-based recognition of similarities and transitions between materials and textures, focusing on identifying any material under any conditions using one or a few examples. The dataset contains synthetic and natural images. The synthetic images were rendered using giant collections of textures, objects, and environments generated by computer graphics artists. We use mixtures and gradual transitions between materials to allow the system to learn cases with smooth transitions between states (like gradually cooked food). We also render images with materials inside transparent containers to support beverage and chemistry lab use cases. We use this dataset to train a siamese net that identifies the same material in different objects, mixtures, and environments. The descriptor generated by this net can be used to identify the states of materials and their subclasses using a single image. We also present the first few-shot material recognition benchmark with images from a wide range of fields, including the state of foods and drinks, types of grounds, and many other use cases. We show that a net trained on the MatSim synthetic dataset outperforms state-of-the-art models like Clip on the benchmark and also achieves good results on other unsupervised material classification tasks.