Daily Papers

Contrastive Language-Image Pre-training (CLIP) has shown impressive performance in aligning visual and textual representations. Recent studies have extended this paradigm to 3D vision to improve scene understanding for autonomous driving. A common strategy is to employ pairwise cosine similarity between modalities to guide the training of a 3D encoder. However, considering the similarity between individual modality pairs rather than all modalities jointly fails to ensure consistent and unified alignment across the entire multimodal space. In this paper, we propose a Contrastive Tensor Pre-training (CTP) framework that simultaneously aligns multiple modalities in a unified embedding space to enhance end-to-end autonomous driving. Compared with pairwise cosine similarity alignment, our method extends the 2D similarity matrix into a multimodal similarity tensor. Furthermore, we introduce a tensor loss to enable joint contrastive learning across all modalities. For experimental validation of our framework, we construct a text-image-point cloud triplet dataset derived from existing autonomous driving datasets. The results show that our proposed unified multimodal alignment framework achieves favorable performance for both scenarios: (i) aligning a 3D encoder with pretrained CLIP encoders, and (ii) pretraining all encoders from scratch.

Late-interaction retrieval (ColBERT, ColPali) scores a query against a document via the MaxSim operator. The standard PyTorch implementation materialises the full query-token x document-token similarity tensor only to reduce it away. At ColPali scale this is the single largest tensor in the pipeline (e.g. 21 GB in FP16 for 10K documents) and limits both candidate set size at inference and batch size during contrastive training. We present Flash-MaxSim (FM), an IO-aware fused GPU kernel that computes the same MaxSim scores without ever materialising the tensor, and extends the same principle to the training backward. At ColPali scale on A100 this cuts inference memory up to 9x and training memory by two orders of magnitude, unlocking candidate sets and contrastive batch sizes a single GPU could not previously reach. The kernel is a drop-in replacement, exact up to floating-point evaluation order under its stated FP32-accumulation protocol: rankings match the FP32 reference within 5e-4 of nDCG@10 on BEIR and REAL-MM-RAG. A separate INT8 path trades exactness for halved index storage at high fidelity. Released open-source.

As Large Language Models (LLMs) become integral software components in modern applications, unauthorized model derivations through fine-tuning, merging, and redistribution have emerged as critical software engineering challenges. Unlike traditional software where clone detection and license compliance are well-established, the LLM ecosystem lacks effective mechanisms to detect model lineage and enforce licensing agreements. This gap is particularly problematic when open-source model creators, such as Meta's LLaMA, require derivative works to maintain naming conventions for attribution, yet no technical means exist to verify compliance. To fill this gap, treating LLMs as software artifacts requiring provenance tracking, we present TensorGuard, a gradient-based fingerprinting framework for LLM similarity detection and family classification. Our approach extracts model-intrinsic behavioral signatures by analyzing gradient responses to random input perturbations across tensor layers, operating independently of training data, watermarks, or specific model formats. TensorGuard supports the widely-adopted safetensors format and constructs high-dimensional fingerprints through statistical analysis of gradient features. These fingerprints enable two complementary capabilities: direct pairwise similarity assessment between arbitrary models through distance computation, and systematic family classification of unknown models via the K-Means clustering algorithm with domain-informed centroid initialization using known base models. Experimental evaluation on 58 models comprising 8 base models and 50 derivatives across five model families (Llama, Qwen, Gemma, Phi, Mistral) demonstrates 94% classification accuracy under our centroid-initialized K-Means clustering.

Recently, Neural Radiance Field (NeRF) has shown great success in rendering novel-view images of a given scene by learning an implicit representation with only posed RGB images. NeRF and relevant neural field methods (e.g., neural surface representation) typically optimize a point-wise loss and make point-wise predictions, where one data point corresponds to one pixel. Unfortunately, this line of research failed to use the collective supervision of distant pixels, although it is known that pixels in an image or scene can provide rich structural information. To the best of our knowledge, we are the first to design a nonlocal multiplex training paradigm for NeRF and relevant neural field methods via a novel Stochastic Structural SIMilarity (S3IM) loss that processes multiple data points as a whole set instead of process multiple inputs independently. Our extensive experiments demonstrate the unreasonable effectiveness of S3IM in improving NeRF and neural surface representation for nearly free. The improvements of quality metrics can be particularly significant for those relatively difficult tasks: e.g., the test MSE loss unexpectedly drops by more than 90% for TensoRF and DVGO over eight novel view synthesis tasks; a 198% F-score gain and a 64% Chamfer L_{1} distance reduction for NeuS over eight surface reconstruction tasks. Moreover, S3IM is consistently robust even with sparse inputs, corrupted images, and dynamic scenes.

Modern model hubs, such as Hugging Face, store tens of petabytes of LLMs, with fine-tuned variants vastly outnumbering base models and dominating storage consumption. Existing storage reduction techniques -- such as deduplication and compression -- are either LLM-oblivious or not compatible with each other, limiting data reduction effectiveness. Our large-scale characterization study across all publicly available Hugging Face LLM repositories reveals several key insights: (1) fine-tuned models within the same family exhibit highly structured, sparse parameter differences suitable for delta compression; (2) bitwise similarity enables LLM family clustering; and (3) tensor-level deduplication is better aligned with model storage workloads, achieving high data reduction with low metadata overhead. Building on these insights, we design BitX, an effective, fast, lossless delta compression algorithm that compresses XORed difference between fine-tuned and base LLMs. We build ZipLLM, a model storage reduction pipeline that unifies tensor-level deduplication and lossless BitX compression. By synergizing deduplication and compression around LLM family clustering, ZipLLM reduces model storage consumption by 54%, over 20% higher than state-of-the-art deduplication and compression approaches.

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.

As models and data scale, independently trained networks often induce analogous notions of similarity. But, matching similarities is weaker than establishing an explicit correspondence between the representation spaces, especially for multimodal models, where consistency must hold not only within each modality, but also for the learned image-text coupling. We therefore ask: given two independently trained multimodal contrastive models (with encoders (f, g) and (f,g)) -- trained on different distributions and with different architectures -- does a systematic geometric relationship exist between their embedding spaces? If so, what form does it take, and does it hold uniformly across modalities? In this work, we show that across model families such as CLIP, SigLIP, and FLAVA, this geometric relationship is well approximated by an orthogonal map (up to a global mean shift), i.e., there exists an orthogonal map Q where Q^top Q = I such that f(x)approx Q f(x) for paired images x. Strikingly, the same Q simultaneously aligns the text encoders i.e., g(y)approx Q g(y) for texts y. Theoretically, we prove that if the multimodal kernel agrees across models on a small anchor set i.e. langle f(x), g(y)rangle approx langle f(x), g(y)rangle, then the two models must be related by a single orthogonal map Q and the same Q maps images and text across models. More broadly, this finding enables backward-compatible model upgrades, avoiding costly re-embedding, and has implications for the privacy of learned representations. Our project page: https://canonical-multimodal.github.io/

Recent work has sought to understand the behavior of neural networks by comparing representations between layers and between different trained models. We examine methods for comparing neural network representations based on canonical correlation analysis (CCA). We show that CCA belongs to a family of statistics for measuring multivariate similarity, but that neither CCA nor any other statistic that is invariant to invertible linear transformation can measure meaningful similarities between representations of higher dimension than the number of data points. We introduce a similarity index that measures the relationship between representational similarity matrices and does not suffer from this limitation. This similarity index is equivalent to centered kernel alignment (CKA) and is also closely connected to CCA. Unlike CCA, CKA can reliably identify correspondences between representations in networks trained from different initializations.

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.

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.

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.

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.

Work in psychology has highlighted that the geometric model of similarity standard in deep learning is not psychologically plausible because its metric properties such as symmetry do not align with human perception. In contrast, Tversky (1977) proposed an axiomatic theory of similarity based on a representation of objects as sets of features, and their similarity as a function of common and distinctive features. However, this model has not been used in deep learning before, partly due to the challenge of incorporating discrete set operations. We develop a differentiable parameterization of Tversky's similarity that is learnable through gradient descent, and derive neural network building blocks such as the Tversky projection layer, which unlike the linear projection layer can model non-linear functions such as XOR. Through experiments with image recognition and language modeling, we show that the Tversky projection layer is a beneficial replacement for the linear projection layer, which employs geometric similarity. On the NABirds image classification task, a frozen ResNet-50 adapted with a Tversky projection layer achieves a 24.7% relative accuracy improvement over the linear layer adapter baseline. With Tversky projection layers, GPT-2's perplexity on PTB decreases by 7.5%, and its parameter count by 34.8%. Finally, we propose a unified interpretation of both projection layers as computing similarities of input stimuli to learned prototypes, for which we also propose a novel visualization technique highlighting the interpretability of Tversky projection layers. Our work offers a new paradigm for thinking about the similarity model implicit in deep learning, and designing networks that are interpretable under an established theory of psychological similarity.

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.

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.

Many real-world tasks require models to compare images along multiple similarity conditions (e.g. similarity in color, category or shape). Existing methods often reason about these complex similarity relationships by learning condition-aware embeddings. While such embeddings aid models in learning different notions of similarity, they also limit their capability to generalize to unseen categories since they require explicit labels at test time. To address this deficiency, we propose an approach that jointly learns representations for the different similarity conditions and their contributions as a latent variable without explicit supervision. Comprehensive experiments across three datasets, Polyvore-Outfits, Maryland-Polyvore and UT-Zappos50k, demonstrate the effectiveness of our approach: our model outperforms the state-of-the-art methods, even those that are strongly supervised with pre-defined similarity conditions, on fill-in-the-blank, outfit compatibility prediction and triplet prediction tasks. Finally, we show that our model learns different visually-relevant semantic sub-spaces that allow it to generalize well to unseen categories.

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.

Learning features from data is one of the defining characteristics of deep learning, but our theoretical understanding of the role features play in deep learning is still rudimentary. To address this gap, we introduce a new tool, the interaction tensor, for empirically analyzing the interaction between data and model through features. With the interaction tensor, we make several key observations about how features are distributed in data and how models with different random seeds learn different features. Based on these observations, we propose a conceptual framework for feature learning. Under this framework, the expected accuracy for a single hypothesis and agreement for a pair of hypotheses can both be derived in closed-form. We demonstrate that the proposed framework can explain empirically observed phenomena, including the recently discovered Generalization Disagreement Equality (GDE) that allows for estimating the generalization error with only unlabeled data. Further, our theory also provides explicit construction of natural data distributions that break the GDE. Thus, we believe this work provides valuable new insight into our understanding of feature learning.

In this work, we demonstrate that a simple two-layer neural network with standard activation functions can learn an arbitrary word operation in any finite group, provided sufficient width is available and exhibits grokking while doing so. To explain the mechanism by which this is achieved, we reframe the problem as that of learning a particular 3-tensor, which we show is typically of low rank. A key insight is that low-rank implementations of this tensor can be obtained by decomposing it along triplets of basic self-conjugate representations of the group and leveraging the fusion structure to rule out many components. Focusing on a phenomenologically similar but more tractable surrogate model, we show that the network is able to find such low-rank implementations (or approximations thereof), thereby using limited width to approximate the word-tensor in a generalizable way. In the case of the simple multiplication word, we further elucidate the form of these low-rank implementations, showing that the network effectively implements efficient matrix multiplication in the sense of Strassen. Our work also sheds light on the mechanism by which a network reaches such a solution under gradient descent.

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.

The development of efficient machine learning models for molecular systems representation is becoming crucial in scientific research. We introduce TensorNet, an innovative O(3)-equivariant message-passing neural network architecture that leverages Cartesian tensor representations. By using Cartesian tensor atomic embeddings, feature mixing is simplified through matrix product operations. Furthermore, the cost-effective decomposition of these tensors into rotation group irreducible representations allows for the separate processing of scalars, vectors, and tensors when necessary. Compared to higher-rank spherical tensor models, TensorNet demonstrates state-of-the-art performance with significantly fewer parameters. For small molecule potential energies, this can be achieved even with a single interaction layer. As a result of all these properties, the model's computational cost is substantially decreased. Moreover, the accurate prediction of vector and tensor molecular quantities on top of potential energies and forces is possible. In summary, TensorNet's framework opens up a new space for the design of state-of-the-art equivariant models.

Similarity between training examples is used to curate pretraining datasets for language models by many methods -- for diversification and to select examples similar to high-quality data. However, similarity is typically measured with off-the-shelf embedding models that are generic or trained for tasks such as retrieval. This paper introduces a framework to analyze the suitability of embedding models specifically for data curation in the language model pretraining setting. We quantify the correlation between similarity in the embedding space to similarity in pretraining loss between different training examples, and how diversifying in the embedding space affects pretraining quality. We analyze a variety of embedding models in our framework, with experiments using the Pile dataset for pretraining a 1.7B parameter decoder-only language model. We find that the embedding models we consider are all useful for pretraining data curation. Moreover, a simple approach of averaging per-token embeddings proves to be surprisingly competitive with more sophisticated embedding models -- likely because the latter are not designed specifically for pretraining data curation. Indeed, we believe our analysis and evaluation framework can serve as a foundation for the design of embedding models that specifically reason about similarity in pretraining datasets.

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/.

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.

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.

Tensor networks are efficient representations of high-dimensional tensors which have been very successful for physics and mathematics applications. We demonstrate how algorithms for optimizing such networks can be adapted to supervised learning tasks by using matrix product states (tensor trains) to parameterize models for classifying images. For the MNIST data set we obtain less than 1% test set classification error. We discuss how the tensor network form imparts additional structure to the learned model and suggest a possible generative interpretation.

We consider the Similarity Sketching problem: Given a universe [u] = {0,ldots, u-1} we want a random function S mapping subsets Asubseteq [u] into vectors S(A) of size t, such that the Jaccard similarity J(A,B) = |Acap B|/|Acup B| between sets A and B is preserved. More precisely, define X_i = [S(A)[i] = S(B)[i]] and X = sum_{iin [t]} X_i. We want E[X_i]=J(A,B), and we want X to be strongly concentrated around E[X] = t cdot J(A,B) (i.e. Chernoff-style bounds). This is a fundamental problem which has found numerous applications in data mining, large-scale classification, computer vision, similarity search, etc. via the classic MinHash algorithm. The vectors S(A) are also called sketches. Strong concentration is critical, for often we want to sketch many sets B_1,ldots,B_n so that we later, for a query set A, can find (one of) the most similar B_i. It is then critical that no B_i looks much more similar to A due to errors in the sketch. The seminal ttimesMinHash algorithm uses t random hash functions h_1,ldots, h_t, and stores left ( min_{ain A} h_1(A),ldots, min_{ain A} h_t(A) right ) as the sketch of A. The main drawback of MinHash is, however, its O(tcdot |A|) running time, and finding a sketch with similar properties and faster running time has been the subject of several papers. (continued...)

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.

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.

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.

Human perception of similarity across uni- and multimodal inputs is highly complex, making it challenging to develop automated metrics that accurately mimic it. General purpose vision-language models, such as CLIP and large multi-modal models (LMMs), can be applied as zero-shot perceptual metrics, and several recent works have developed models specialized in narrow perceptual tasks. However, the extent to which existing perceptual metrics align with human perception remains unclear. To investigate this question, we introduce UniSim-Bench, a benchmark encompassing 7 multi-modal perceptual similarity tasks, with a total of 25 datasets. Our evaluation reveals that while general-purpose models perform reasonably well on average, they often lag behind specialized models on individual tasks. Conversely, metrics fine-tuned for specific tasks fail to generalize well to unseen, though related, tasks. As a first step towards a unified multi-task perceptual similarity metric, we fine-tune both encoder-based and generative vision-language models on a subset of the UniSim-Bench tasks. This approach yields the highest average performance, and in some cases, even surpasses taskspecific models. Nevertheless, these models still struggle with generalization to unseen tasks, highlighting the ongoing challenge of learning a robust, unified perceptual similarity metric capable of capturing the human notion of similarity. The code and models are available at https://github.com/SaraGhazanfari/UniSim.

Image-generating machine learning models are typically trained with loss functions based on distance in the image space. This often leads to over-smoothed results. We propose a class of loss functions, which we call deep perceptual similarity metrics (DeePSiM), that mitigate this problem. Instead of computing distances in the image space, we compute distances between image features extracted by deep neural networks. This metric better reflects perceptually similarity of images and thus leads to better results. We show three applications: autoencoder training, a modification of a variational autoencoder, and inversion of deep convolutional networks. In all cases, the generated images look sharp and resemble natural images.

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.

Dimensionality reduction is a fundamental task that aims to simplify complex data by reducing its feature dimensionality while preserving essential patterns, with core applications in data analysis and visualisation. To preserve the underlying data structure, multi-dimensional scaling (MDS) methods focus on preserving pairwise dissimilarities, such as distances. They optimise the embedding to have pairwise distances as close as possible to the data dissimilarities. However, the current standard is limited to embedding data in Riemannian manifolds. Motivated by the lack of asymmetry in the Riemannian metric of the embedding space, this paper extends the MDS problem to a natural asymmetric generalisation of Riemannian manifolds called Finsler manifolds. Inspired by Euclidean space, we define a canonical Finsler space for embedding asymmetric data. Due to its simplicity with respect to geodesics, data representation in this space is both intuitive and simple to analyse. We demonstrate that our generalisation benefits from the same theoretical convergence guarantees. We reveal the effectiveness of our Finsler embedding across various types of non-symmetric data, highlighting its value in applications such as data visualisation, dimensionality reduction, directed graph embedding, and link prediction.

We propose Strivec, a novel neural representation that models a 3D scene as a radiance field with sparsely distributed and compactly factorized local tensor feature grids. Our approach leverages tensor decomposition, following the recent work TensoRF, to model the tensor grids. In contrast to TensoRF which uses a global tensor and focuses on their vector-matrix decomposition, we propose to utilize a cloud of local tensors and apply the classic CANDECOMP/PARAFAC (CP) decomposition to factorize each tensor into triple vectors that express local feature distributions along spatial axes and compactly encode a local neural field. We also apply multi-scale tensor grids to discover the geometry and appearance commonalities and exploit spatial coherence with the tri-vector factorization at multiple local scales. The final radiance field properties are regressed by aggregating neural features from multiple local tensors across all scales. Our tri-vector tensors are sparsely distributed around the actual scene surface, discovered by a fast coarse reconstruction, leveraging the sparsity of a 3D scene. We demonstrate that our model can achieve better rendering quality while using significantly fewer parameters than previous methods, including TensoRF and Instant-NGP.

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).

Motivated by the success of coarse-grained or fine-grained contrast in text-video retrieval, there emerge multi-grained contrastive learning methods which focus on the integration of contrasts with different granularity. However, due to the wider semantic range of videos, the text-agnostic video representations might encode misleading information not described in texts, thus impeding the model from capturing precise cross-modal semantic correspondence. To this end, we propose a Text-Conditioned Multi-Grained Contrast framework, dubbed TC-MGC. Specifically, our model employs a language-video attention block to generate aggregated frame and video representations conditioned on the word's and text's attention weights over frames. To filter unnecessary similarity interactions and decrease trainable parameters in the Interactive Similarity Aggregation (ISA) module, we design a Similarity Reorganization (SR) module to identify attentive similarities and reorganize cross-modal similarity vectors and matrices. Next, we argue that the imbalance problem among multigrained similarities may result in over- and under-representation issues. We thereby introduce an auxiliary Similarity Decorrelation Regularization (SDR) loss to facilitate cooperative relationship utilization by similarity variance minimization on matching text-video pairs. Finally, we present a Linear Softmax Aggregation (LSA) module to explicitly encourage the interactions between multiple similarities and promote the usage of multi-grained information. Empirically, TC-MGC achieves competitive results on multiple text-video retrieval benchmarks, outperforming X-CLIP model by +2.8% (+1.3%), +2.2% (+1.0%), +1.5% (+0.9%) relative (absolute) improvements in text-to-video retrieval R@1 on MSR-VTT, DiDeMo and VATEX, respectively. Our code is publicly available at https://github.com/JingXiaolun/TC-MGC.

In recent years, many deep neural architectures have been developed for image classification. Whether they are similar or dissimilar and what factors contribute to their (dis)similarities remains curious. To address this question, we aim to design a quantitative and scalable similarity measure between neural architectures. We propose Similarity by Attack Transferability (SAT) from the observation that adversarial attack transferability contains information related to input gradients and decision boundaries widely used to understand model behaviors. We conduct a large-scale analysis on 69 state-of-the-art ImageNet classifiers using our proposed similarity function to answer the question. Moreover, we observe neural architecture-related phenomena using model similarity that model diversity can lead to better performance on model ensembles and knowledge distillation under specific conditions. Our results provide insights into why developing diverse neural architectures with distinct components is necessary.

We introduce Einstein Fields, a neural representation that is designed to compress computationally intensive four-dimensional numerical relativity simulations into compact implicit neural network weights. By modeling the metric, which is the core tensor field of general relativity, Einstein Fields enable the derivation of physical quantities via automatic differentiation. However, unlike conventional neural fields (e.g., signed distance, occupancy, or radiance fields), Einstein Fields are Neural Tensor Fields with the key difference that when encoding the spacetime geometry of general relativity into neural field representations, dynamics emerge naturally as a byproduct. Einstein Fields show remarkable potential, including continuum modeling of 4D spacetime, mesh-agnosticity, storage efficiency, derivative accuracy, and ease of use. We address these challenges across several canonical test beds of general relativity and release an open source JAX-based library, paving the way for more scalable and expressive approaches to numerical relativity. Code is made available at https://github.com/AndreiB137/EinFields

When robots learn reward functions using high capacity models that take raw state directly as input, they need to both learn a representation for what matters in the task -- the task ``features" -- as well as how to combine these features into a single objective. If they try to do both at once from input designed to teach the full reward function, it is easy to end up with a representation that contains spurious correlations in the data, which fails to generalize to new settings. Instead, our ultimate goal is to enable robots to identify and isolate the causal features that people actually care about and use when they represent states and behavior. Our idea is that we can tune into this representation by asking users what behaviors they consider similar: behaviors will be similar if the features that matter are similar, even if low-level behavior is different; conversely, behaviors will be different if even one of the features that matter differs. This, in turn, is what enables the robot to disambiguate between what needs to go into the representation versus what is spurious, as well as what aspects of behavior can be compressed together versus not. The notion of learning representations based on similarity has a nice parallel in contrastive learning, a self-supervised representation learning technique that maps visually similar data points to similar embeddings, where similarity is defined by a designer through data augmentation heuristics. By contrast, in order to learn the representations that people use, so we can learn their preferences and objectives, we use their definition of similarity. In simulation as well as in a user study, we show that learning through such similarity queries leads to representations that, while far from perfect, are indeed more generalizable than self-supervised and task-input alternatives.

Similarity metrics have played a significant role in computer vision to capture the underlying semantics of images. In recent years, advanced similarity metrics, such as the Learned Perceptual Image Patch Similarity (LPIPS), have emerged. These metrics leverage deep features extracted from trained neural networks and have demonstrated a remarkable ability to closely align with human perception when evaluating relative image similarity. However, it is now well-known that neural networks are susceptible to adversarial examples, i.e., small perturbations invisible to humans crafted to deliberately mislead the model. Consequently, the LPIPS metric is also sensitive to such adversarial examples. This susceptibility introduces significant security concerns, especially considering the widespread adoption of LPIPS in large-scale applications. In this paper, we propose the Robust Learned Perceptual Image Patch Similarity (R-LPIPS) metric, a new metric that leverages adversarially trained deep features. Through a comprehensive set of experiments, we demonstrate the superiority of R-LPIPS compared to the classical LPIPS metric. The code is available at https://github.com/SaraGhazanfari/R-LPIPS.

Tensor Networks (TN) offer a powerful framework to efficiently represent very high-dimensional objects. TN have recently shown their potential for machine learning applications and offer a unifying view of common tensor decomposition models such as Tucker, tensor train (TT) and tensor ring (TR). However, identifying the best tensor network structure from data for a given task is challenging. In this work, we leverage the TN formalism to develop a generic and efficient adaptive algorithm to jointly learn the structure and the parameters of a TN from data. Our method is based on a simple greedy approach starting from a rank one tensor and successively identifying the most promising tensor network edges for small rank increments. Our algorithm can adaptively identify TN structures with small number of parameters that effectively optimize any differentiable objective function. Experiments on tensor decomposition, tensor completion and model compression tasks demonstrate the effectiveness of the proposed algorithm. In particular, our method outperforms the state-of-the-art evolutionary topology search [Li and Sun, 2020] for tensor decomposition of images (while being orders of magnitude faster) and finds efficient tensor network structures to compress neural networks outperforming popular TT based approaches [Novikov et al., 2015].

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.

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.

Multi-channel imaging data is a prevalent data format in scientific fields such as astronomy and biology. The structured information and the high dimensionality of these 3-D tensor data makes the analysis an intriguing but challenging topic for statisticians and practitioners. The low-rank scalar-on-tensor regression model, in particular, has received widespread attention and has been re-formulated as a tensor Gaussian Process (Tensor-GP) model with multi-linear kernel in Yu et al. (2018). In this paper, we extend the Tensor-GP model by integrating a dimensionality reduction technique, called tensor contraction, with a Tensor-GP for a scalar-on-tensor regression task with multi-channel imaging data. This is motivated by the solar flare forecasting problem with high dimensional multi-channel imaging data. We first estimate a latent, reduced-size tensor for each data tensor and then apply a multi-linear Tensor-GP on the latent tensor data for prediction. We introduce an anisotropic total-variation regularization when conducting the tensor contraction to obtain a sparse and smooth latent tensor. We then propose an alternating proximal gradient descent algorithm for estimation. We validate our approach via extensive simulation studies and applying it to the solar flare forecasting problem.

Cross-modal metric learning is a prominent research topic that bridges the semantic heterogeneity between vision and language. Existing methods frequently utilize simple cosine or complex distance metrics to transform the pairwise features into a similarity score, which suffers from an inadequate or inefficient capability for distance measurements. Consequently, we propose a Generalized Structural Sparse Function to dynamically capture thorough and powerful relationships across modalities for pair-wise similarity learning while remaining concise but efficient. Specifically, the distance metric delicately encapsulates two formats of diagonal and block-diagonal terms, automatically distinguishing and highlighting the cross-channel relevancy and dependency inside a structured and organized topology. Hence, it thereby empowers itself to adapt to the optimal matching patterns between the paired features and reaches a sweet spot between model complexity and capability. Extensive experiments on cross-modal and two extra uni-modal retrieval tasks (image-text retrieval, person re-identification, fine-grained image retrieval) have validated its superiority and flexibility over various popular retrieval frameworks. More importantly, we further discover that it can be seamlessly incorporated into multiple application scenarios, and demonstrates promising prospects from Attention Mechanism to Knowledge Distillation in a plug-and-play manner. Our code is publicly available at: https://github.com/Paranioar/GSSF.

Measuring the similarity of the internal representations of deep neural networks is an important and challenging problem. Model stitching has been proposed as a possible approach, where two half-networks are connected by mapping the output of the first half-network to the input of the second one. The representations are considered functionally similar if the resulting stitched network achieves good task-specific performance. The mapping is normally created by training an affine stitching layer on the task at hand while freezing the two half-networks, a method called task loss matching. Here, we argue that task loss matching may be very misleading as a similarity index. For example, it can indicate very high similarity between very distant layers, whose representations are known to have different functional properties. Moreover, it can indicate very distant layers to be more similar than architecturally corresponding layers. Even more surprisingly, when comparing layers within the same network, task loss matching often indicates that some layers are more similar to a layer than itself. We argue that the main reason behind these problems is that task loss matching tends to create out-of-distribution representations to improve task-specific performance. We demonstrate that direct matching (when the mapping minimizes the distance between the stitched representations) does not suffer from these problems. We compare task loss matching, direct matching, and well-known similarity indices such as CCA and CKA. We conclude that direct matching strikes a good balance between the structural and functional requirements for a good similarity index.

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.

Failure of machine learning models to generalize to new data is a core problem limiting the reliability of AI systems, partly due to the lack of simple and robust methods for comparing new data to the original training dataset. We propose a standardized approach for assessing data similarity in a model-agnostic manner by constructing a supervised autoencoder for generalizability estimation (SAGE). We compare points in a low-dimensional embedded latent space, defining empirical probability measures for k-Nearest Neighbors (kNN) distance, reconstruction of inputs and task-based performance. As proof of concept for classification tasks, we use MNIST and CIFAR-10 to demonstrate how an ensemble output probability score can separate deformed images from a mixture of typical test examples, and how this SAGE score is robust to transformations of increasing severity. As further proof of concept, we extend this approach to a regression task using non-imaging data (UCI Abalone). In all cases, we show that out-of-the-box model performance increases after SAGE score filtering, even when applied to data from the model's own training and test datasets. Our out-of-distribution scoring method can be introduced during several steps of model construction and assessment, leading to future improvements in responsible deep learning implementation.

Current perceptual similarity metrics operate at the level of pixels and patches. These metrics compare images in terms of their low-level colors and textures, but fail to capture mid-level similarities and differences in image layout, object pose, and semantic content. In this paper, we develop a perceptual metric that assesses images holistically. Our first step is to collect a new dataset of human similarity judgments over image pairs that are alike in diverse ways. Critical to this dataset is that judgments are nearly automatic and shared by all observers. To achieve this we use recent text-to-image models to create synthetic pairs that are perturbed along various dimensions. We observe that popular perceptual metrics fall short of explaining our new data, and we introduce a new metric, DreamSim, tuned to better align with human perception. We analyze how our metric is affected by different visual attributes, and find that it focuses heavily on foreground objects and semantic content while also being sensitive to color and layout. Notably, despite being trained on synthetic data, our metric generalizes to real images, giving strong results on retrieval and reconstruction tasks. Furthermore, our metric outperforms both prior learned metrics and recent large vision models on these tasks.

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.

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.

It has been recently shown that the hidden variables of convolutional neural networks make for an efficient perceptual similarity metric that accurately predicts human judgment on relative image similarity assessment. First, we show that such learned perceptual similarity metrics (LPIPS) are susceptible to adversarial attacks that dramatically contradict human visual similarity judgment. While this is not surprising in light of neural networks' well-known weakness to adversarial perturbations, we proceed to show that self-ensembling with an infinite family of random transformations of the input --- a technique known not to render classification networks robust --- is enough to turn the metric robust against attack, while retaining predictive power on human judgments. Finally, we study the geometry imposed by our our novel self-ensembled metric (E-LPIPS) on the space of natural images. We find evidence of "perceptual convexity" by showing that convex combinations of similar-looking images retain appearance, and that discrete geodesics yield meaningful frame interpolation and texture morphing, all without explicit correspondences.

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.

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

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.

Attention matrices are fundamental to transformer research, supporting a broad range of applications including interpretability, visualization, manipulation, and distillation. Yet, most existing analyses focus on individual attention heads or layers, failing to account for the model's global behavior. While prior efforts have extended attention formulations across multiple heads via averaging and matrix multiplications or incorporated components such as normalization and FFNs, a unified and complete representation that encapsulates all transformer blocks is still lacking. We address this gap by introducing TensorLens, a novel formulation that captures the entire transformer as a single, input-dependent linear operator expressed through a high-order attention-interaction tensor. This tensor jointly encodes attention, FFNs, activations, normalizations, and residual connections, offering a theoretically coherent and expressive linear representation of the model's computation. TensorLens is theoretically grounded and our empirical validation shows that it yields richer representations than previous attention-aggregation methods. Our experiments demonstrate that the attention tensor can serve as a powerful foundation for developing tools aimed at interpretability and model understanding. Our code is attached as a supplementary.

The Platonic Representation Hypothesis suggests that independently trained neural networks converge to increasingly similar latent spaces. However, current strategies for mapping these representations are inherently pairwise, scaling quadratically with the number of models and failing to yield a consistent global reference. In this paper, we study the alignment of M ge 3 models. We first adapt Generalized Procrustes Analysis (GPA) to construct a shared orthogonal universe that preserves the internal geometry essential for tasks like model stitching. We then show that strict isometric alignment is suboptimal for retrieval, where agreement-maximizing methods like Canonical Correlation Analysis (CCA) typically prevail. To bridge this gap, we finally propose Geometry-Corrected Procrustes Alignment (GCPA), which establishes a robust GPA-based universe followed by a post-hoc correction for directional mismatch. Extensive experiments demonstrate that GCPA consistently improves any-to-any retrieval while retaining a practical shared reference space.

Multimodal research is an emerging field of artificial intelligence, and one of the main research problems in this field is multimodal fusion. The fusion of multimodal data is the process of integrating multiple unimodal representations into one compact multimodal representation. Previous research in this field has exploited the expressiveness of tensors for multimodal representation. However, these methods often suffer from exponential increase in dimensions and in computational complexity introduced by transformation of input into tensor. In this paper, we propose the Low-rank Multimodal Fusion method, which performs multimodal fusion using low-rank tensors to improve efficiency. We evaluate our model on three different tasks: multimodal sentiment analysis, speaker trait analysis, and emotion recognition. Our model achieves competitive results on all these tasks while drastically reducing computational complexity. Additional experiments also show that our model can perform robustly for a wide range of low-rank settings, and is indeed much more efficient in both training and inference compared to other methods that utilize tensor representations.

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.

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.

The Platonic Representation Hypothesis suggests that representations from neural networks are converging to a common statistical model of reality. We show that the existing metrics used to measure representational similarity are confounded by network scale: increasing model depth or width can systematically inflate representational similarity scores. To correct these effects, we introduce a permutation-based null-calibration framework that transforms any representational similarity metric into a calibrated score with statistical guarantees. We revisit the Platonic Representation Hypothesis with our calibration framework, which reveals a nuanced picture: the apparent convergence reported by global spectral measures largely disappears after calibration, while local neighborhood similarity, but not local distances, retains significant agreement across different modalities. Based on these findings, we propose the Aristotelian Representation Hypothesis: representations in neural networks are converging to shared local neighborhood relationships.

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.

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.

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.

Most state of the art deep neural networks are overparameterized and exhibit a high computational cost. A straightforward approach to this problem is to replace convolutional kernels with its low-rank tensor approximations, whereas the Canonical Polyadic tensor Decomposition is one of the most suited models. However, fitting the convolutional tensors by numerical optimization algorithms often encounters diverging components, i.e., extremely large rank-one tensors but canceling each other. Such degeneracy often causes the non-interpretable result and numerical instability for the neural network fine-tuning. This paper is the first study on degeneracy in the tensor decomposition of convolutional kernels. We present a novel method, which can stabilize the low-rank approximation of convolutional kernels and ensure efficient compression while preserving the high-quality performance of the neural networks. We evaluate our approach on popular CNN architectures for image classification and show that our method results in much lower accuracy degradation and provides consistent performance.

This paper proposes a novel method for deep learning based on the analytical convolution of multidimensional Gaussian mixtures. In contrast to tensors, these do not suffer from the curse of dimensionality and allow for a compact representation, as data is only stored where details exist. Convolution kernels and data are Gaussian mixtures with unconstrained weights, positions, and covariance matrices. Similar to discrete convolutional networks, each convolution step produces several feature channels, represented by independent Gaussian mixtures. Since traditional transfer functions like ReLUs do not produce Gaussian mixtures, we propose using a fitting of these functions instead. This fitting step also acts as a pooling layer if the number of Gaussian components is reduced appropriately. We demonstrate that networks based on this architecture reach competitive accuracy on Gaussian mixtures fitted to the MNIST and ModelNet data sets.

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.

Humans do not just see attribute similarity -- we also see relational similarity. An apple is like a peach because both are reddish fruit, but the Earth is also like a peach: its crust, mantle, and core correspond to the peach's skin, flesh, and pit. This ability to perceive and recognize relational similarity, is arguable by cognitive scientist to be what distinguishes humans from other species. Yet, all widely used visual similarity metrics today (e.g., LPIPS, CLIP, DINO) focus solely on perceptual attribute similarity and fail to capture the rich, often surprising relational similarities that humans perceive. How can we go beyond the visible content of an image to capture its relational properties? How can we bring images with the same relational logic closer together in representation space? To answer these questions, we first formulate relational image similarity as a measurable problem: two images are relationally similar when their internal relations or functions among visual elements correspond, even if their visual attributes differ. We then curate 114k image-caption dataset in which the captions are anonymized -- describing the underlying relational logic of the scene rather than its surface content. Using this dataset, we finetune a Vision-Language model to measure the relational similarity between images. This model serves as the first step toward connecting images by their underlying relational structure rather than their visible appearance. Our study shows that while relational similarity has a lot of real-world applications, existing image similarity models fail to capture it -- revealing a critical gap in visual computing.

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.

For full-reference image quality assessment (FR-IQA) using deep-learning approaches, the perceptual similarity score between a distorted image and a reference image is typically computed as a distance measure between features extracted from a pretrained CNN or more recently, a Transformer network. Often, these intermediate features require further fine-tuning or processing with additional neural network layers to align the final similarity scores with human judgments. So far, most IQA models based on foundation models have primarily relied on the final layer or the embedding for the quality score estimation. In contrast, this work explores the potential of utilizing the intermediate features of these foundation models, which have largely been unexplored so far in the design of low-level perceptual similarity metrics. We demonstrate that the intermediate features are comparatively more effective. Moreover, without requiring any training, these metrics can outperform both traditional and state-of-the-art learned metrics by utilizing distance measures between the features.

Tuning tensor program generation involves searching for various possible program transformation combinations for a given program on target hardware to optimize the tensor program execution. It is already a complex process because of the massive search space and exponential combinations of transformations make auto-tuning tensor program generation more challenging, especially when we have a heterogeneous target. In this research, we attempt to address these problems by learning the joint neural network and hardware features and transferring them to the new target hardware. We extensively study the existing state-of-the-art dataset, TenSet, perform comparative analysis on the test split strategies and propose methodologies to prune the dataset. We adopt an attention-inspired approach for tuning the tensor programs enabling them to embed neural network and hardware-specific features. Our approach could prune the dataset up to 45\% of the baseline without compromising the Pairwise Comparison Accuracy (PCA). Further, the proposed methodology can achieve on-par or improved mean inference time with 25%-40% of the baseline tuning time across different networks and target hardware.

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.

Decoding approaches are widely used in neuroscience and machine learning to compare stimulus representations across neural systems, such as different brain regions, organisms, and deep learning models. Popular methods include decoding (perceptual) manifolds and alignment metrics such as Representational Similarity Analysis (RSA) and Dynamic Similarity Analysis (DSA), where similarity in decoding representations is interpreted as evidence for similar computation. This paper demonstrates a fundamental weakness behind this approach: it is misleading to assume that representational geometry is representative of a neuronal population as a whole, when such representations may actually be shaped by a very small subset of neurons. We show that the complementary encoding paradigm addresses this issue directly: it characterizes how neurons are organized globally in terms of their responses to a set of data, providing insight into how the decoding representation is implemented by neurons within a population. We demonstrate across experiments in biological systems and deep learning models that (i) surprisingly, similar decoding behavior and high representational alignment can arise from small, non-representative subpopulations of neurons; and critically, (ii) alignment metrics are insensitive to encoding manifold topology (how function is distributed across neurons), despite this being a key signature of differentiation across biological systems. A controlled MNIST experiment provides causal evidence: decoding metrics remain unchanged even when encoding topology is causally manipulated via the training loss. Overall, similarity in decoding behavior, as measured by classic alignment metrics, does not imply similarity in function or computation, motivating the use of encoding manifolds as a complementary tool for comparing neural systems.

How can we predict missing values in multi-dimensional data (or tensors) more accurately? The task of tensor completion is crucial in many applications such as personalized recommendation, image and video restoration, and link prediction in social networks. Many tensor factorization and neural network-based tensor completion algorithms have been developed to predict missing entries in partially observed tensors. However, they can produce inaccurate estimations as real-world tensors are very sparse, and these methods tend to overfit on the small amount of data. Here, we overcome these shortcomings by presenting a data augmentation technique for tensors. In this paper, we propose DAIN, a general data augmentation framework that enhances the prediction accuracy of neural tensor completion methods. Specifically, DAIN first trains a neural model and finds tensor cell importances with influence functions. After that, DAIN aggregates the cell importance to calculate the importance of each entity (i.e., an index of a dimension). Finally, DAIN augments the tensor by weighted sampling of entity importances and a value predictor. Extensive experimental results show that DAIN outperforms all data augmentation baselines in terms of enhancing imputation accuracy of neural tensor completion on four diverse real-world tensors. Ablation studies of DAIN substantiate the effectiveness of each component of DAIN. Furthermore, we show that DAIN scales near linearly to large datasets.

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.

We propose a machine learning method to model molecular tensorial quantities, namely the magnetic anisotropy tensor, based on the Gaussian-moment neural-network approach. We demonstrate that the proposed methodology can achieve an accuracy of 0.3--0.4 cm^{-1} and has excellent generalization capability for out-of-sample configurations. Moreover, in combination with machine-learned interatomic potential energies based on Gaussian moments, our approach can be applied to study the dynamic behavior of magnetic anisotropy tensors and provide a unique insight into spin-phonon relaxation.

We analyse perception and memory, using mathematical models for knowledge graphs and tensors, to gain insights into the corresponding functionalities of the human mind. Our discussion is based on the concept of propositional sentences consisting of subject-predicate-object (SPO) triples for expressing elementary facts. SPO sentences are the basis for most natural languages but might also be important for explicit perception and declarative memories, as well as intra-brain communication and the ability to argue and reason. A set of SPO sentences can be described as a knowledge graph, which can be transformed into an adjacency tensor. We introduce tensor models, where concepts have dual representations as indices and associated embeddings, two constructs we believe are essential for the understanding of implicit and explicit perception and memory in the brain. We argue that a biological realization of perception and memory imposes constraints on information processing. In particular, we propose that explicit perception and declarative memories require a semantic decoder, which, in a simple realization, is based on four layers: First, a sensory memory layer, as a buffer for sensory input, second, an index layer representing concepts, third, a memoryless representation layer for the broadcasting of information ---the "blackboard", or the "canvas" of the brain--- and fourth, a working memory layer as a processing center and data buffer. We discuss the operations of the four layers and relate them to the global workspace theory. In a Bayesian brain interpretation, semantic memory defines the prior for observable triple statements. We propose that ---in evolution and during development--- semantic memory, episodic memory, and natural language evolved as emergent properties in agents' process to gain a deeper understanding of sensory information.

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.

Neural net classifiers trained on data with annotated class labels can also capture apparent visual similarity among categories without being directed to do so. We study whether this observation can be extended beyond the conventional domain of supervised learning: Can we learn a good feature representation that captures apparent similarity among instances, instead of classes, by merely asking the feature to be discriminative of individual instances? We formulate this intuition as a non-parametric classification problem at the instance-level, and use noise-contrastive estimation to tackle the computational challenges imposed by the large number of instance classes. Our experimental results demonstrate that, under unsupervised learning settings, our method surpasses the state-of-the-art on ImageNet classification by a large margin. Our method is also remarkable for consistently improving test performance with more training data and better network architectures. By fine-tuning the learned feature, we further obtain competitive results for semi-supervised learning and object detection tasks. Our non-parametric model is highly compact: With 128 features per image, our method requires only 600MB storage for a million images, enabling fast nearest neighbour retrieval at the run time.

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.

Modelling compositionality has been a longstanding area of research in the field of vector space semantics. The categorical approach to compositionality maps grammar onto vector spaces in a principled way, but comes under fire for requiring the formation of very high-dimensional matrices and tensors, and therefore being computationally infeasible. In this paper I show how a linear simplification of recursive neural tensor network models can be mapped directly onto the categorical approach, giving a way of computing the required matrices and tensors. This mapping suggests a number of lines of research for both categorical compositional vector space models of meaning and for recursive neural network models of compositionality.

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%.

Design of neural networks that incorporate symmetry is crucial for geometric deep learning. Central to this effort is the development of invariant and equivariant operations. This works presents a systematic method for constructing valid invariant and equivariant operations. It can handle inputs and outputs in the form of Cartesian tensors with different rank, as well as spherical tensors with different types. In addition, our method features a graphical representation utilizing the symmetric tensor network, which simplifies both the proofs and constructions related to invariant and equivariant functions. We also apply this approach to design the equivariant interaction message for the geometry graph neural network, and equivariant machine learning model to learn the constitutive law of materials.

Model dimension (d_{model}) is a fundamental hyperparameter in transformer language models, yet its role in setting the geometric limits of feature representation remains under-explored. Grounded in the Linear Representation and Superposition Hypotheses - which propose that models encode features as near-orthogonal directions in latent space - we develop a framework for estimating how many such directions a model can support. We first establish the embedding matrix as a measurable proxy for near-orthogonality constraints across the latent space: the boundary between meaningful token relationships and incidental similarity in the pairwise cosine similarity distribution gives a concrete estimate of the model's accepted deviation varepsilon from perfect orthogonality. Applying this metric across dozens of open-source models reveals two classes: models with high varepsilon whose embeddings lack near-orthogonal structure, and models with low varepsilon that maintain it. We then show that the standard Johnson-Lindenstrauss lemma greatly underestimates the packing efficiency of trained representations, and derive an adjusted capacity formula in which the number of near-orthogonal directions depends on the ratio of vectors to dimensions (k/d) rather than the raw count - a single modification that cuts prediction error by two orders of magnitude with no extra parameters. Combining these results, we define representational capacity as an upper bound on the number of distinguishable directions available for features and embeddings in a model's latent space. Capacity is exponentially sensitive to varepsilon, and larger models favor tighter orthogonality constraints over maximizing raw capacity - a pattern compatible with several explanations (a stability-capacity trade-off, a ceiling on usable concepts, or confounds with model scale) that we leave to future work.

Few-shot learning is a challenging area of research that aims to learn new concepts with only a few labeled samples of data. Recent works based on metric-learning approaches leverage the meta-learning approach, which is encompassed by episodic tasks that make use a support (training) and query set (test) with the objective of learning a similarity comparison metric between those sets. Due to the lack of data, the learning process of the embedding network becomes an important part of the few-shot task. Previous works have addressed this problem using metric learning approaches, but the properties of the underlying latent space and the separability of the difference classes on it was not entirely enforced. In this work, we propose two different loss functions which consider the importance of the embedding vectors by looking at the intra-class and inter-class distance between the few data. The first loss function is the Proto-Triplet Loss, which is based on the original triplet loss with the modifications needed to better work on few-shot scenarios. The second loss function, which we dub ICNN loss is based on an inter and intra class nearest neighbors score, which help us to assess the quality of embeddings obtained from the trained network. Our results, obtained from a extensive experimental setup show a significant improvement in accuracy in the miniImagenNet benchmark compared to other metric-based few-shot learning methods by a margin of 2%, demonstrating the capability of these loss functions to allow the network to generalize better to previously unseen classes. In our experiments, we demonstrate competitive generalization capabilities to other domains, such as the Caltech CUB, Dogs and Cars datasets compared with the state of the art.

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.

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.

With diffusion and flow matching models achieving state-of-the-art generating performance, the interest of the community now turned to reducing the inference time without sacrificing sample quality. Consistency Models (CMs), which are trained to be consistent on diffusion or probability flow ordinary differential equation (PF-ODE) trajectories, enable one or two-step flow or diffusion sampling. However, CMs typically require prolonged training with large batch sizes to obtain competitive sample quality. In this paper, we examine the training dynamics of CMs near convergence and discover that CM tangents -- CM output update directions -- are quite oscillatory, in the sense that they move parallel to the data manifold, not towards the manifold. To mitigate oscillatory tangents, we propose a new loss function, called the manifold feature distance (MFD), which provides manifold-aligned tangents that point toward the data manifold. Consequently, our method -- dubbed Align Your Tangent (AYT) -- can accelerate CM training by orders of magnitude and even out-perform the learned perceptual image patch similarity metric (LPIPS). Furthermore, we find that our loss enables training with extremely small batch sizes without compromising sample quality. Code: https://github.com/1202kbs/AYT

Convolutional neural networks have become a main tool for solving many machine vision and machine learning problems. A major element of these networks is the convolution operator which essentially computes the inner product between a weight vector and the vectorized image patches extracted by sliding a window in the image planes of the previous layer. In this paper, we propose two classes of surrogate functions for the inner product operation inherent in the convolution operator and so attain two generalizations of the convolution operator. The first one is the class of positive definite kernel functions where their application is justified by the kernel trick. The second one is the class of similarity measures defined based on a distance function. We justify this by tracing back to the basic idea behind the neocognitron which is the ancestor of CNNs. Both methods are then further generalized by allowing a monotonically increasing function to be applied subsequently. Like any trainable parameter in a neural network, the template pattern and the parameters of the kernel/distance function are trained with the back-propagation algorithm. As an aside, we use the proposed framework to justify the use of sine activation function in CNNs. Our experiments on the MNIST dataset show that the performance of ordinary CNNs can be achieved by generalized CNNs based on weighted L1/L2 distances, proving the applicability of the proposed generalization of the convolutional neural networks.

The advancement of transformer neural networks has significantly elevated the capabilities of sentence similarity models, particularly in creating effective vector representations of natural language inputs. However, these models face notable challenges in domain-specific contexts, especially in highly specialized scientific sub-fields. Traditional methods often struggle in this regime, either overgeneralizing similarities within a niche or being overly sensitive to minor differences, resulting in inaccurate text classification and subpar vector representation. In an era where retrieval augmentation and search are increasingly crucial, precise and concise numerical representations are essential. In this paper, we target this issue by assembling niche datasets using co-citations as a similarity metric, focusing on biomedical domains. We employ two key strategies for fine-tuning state-of-the-art models: 1. Domain-specific Fine-Tuning, which tailors pretrained models to a single domain, and 2. Universal Applicability with Mixture of Experts (MoE), adapting pretrained models with enforced routing for multiple domains simultaneously. Our training approach emphasizes the use of abstracts for faster training, incorporating Multiple Negative Rankings loss for efficient contrastive learning. Notably, our MoE variants, equipped with N experts, achieve the efficacy of N individual models, heralding a new era of versatile, One-Size-Fits-All transformer networks for various tasks. This methodology marks significant advancements in scientific text classification metrics and holds promise for enhancing vector database search and compilation.

The recent explosion in applications of machine learning to satellite imagery often rely on visible images and therefore suffer from a lack of data during the night. The gap can be filled by employing available infra-red observations to generate visible images. This work presents how deep learning can be applied successfully to create those images by using U-Net based architectures. The proposed methods show promising results, achieving a structural similarity index (SSIM) up to 86\% on an independent test set and providing visually convincing output images, generated from infra-red observations.

In this paper, we delve into the foundational principles of tensor categories, harnessing the universal property of the tensor product to pioneer novel methodologies in deep network architectures. Our primary contribution is the introduction of the Tensor Attention and Tensor Interaction Mechanism, a groundbreaking approach that leverages the tensor category to enhance the computational efficiency and the expressiveness of deep networks, and can even be generalized into the quantum realm.

Transformers are a widespread and successful model architecture, particularly in Natural Language Processing (NLP) and Computer Vision (CV). The essential innovation of this architecture is the Attention Mechanism, which solves the problem of extracting relevant context information from long sequences in NLP and realistic scenes in CV. A classical neural network component, a Multi-Layer Perceptron (MLP), complements the attention mechanism. Its necessity is frequently justified by its capability of modeling nonlinear relationships. However, the attention mechanism itself is nonlinear through its internal use of similarity measures. A possible hypothesis is that this nonlinearity is sufficient for modeling typical application problems. As the MLPs usually contain the most trainable parameters of the whole model, their omission would substantially reduce the parameter set size. Further components can also be reorganized to reduce the number of parameters. Under some conditions, query and key matrices can be collapsed into a single matrix of the same size. The same is true about value and projection matrices, which can also be omitted without eliminating the substance of the attention mechanism. Initially, the similarity measure was defined asymmetrically, with peculiar properties such as that a token is possibly dissimilar to itself. A possible symmetric definition requires only half of the parameters. We have laid the groundwork by testing widespread CV benchmarks: MNIST and CIFAR-10. The tests have shown that simplified transformer architectures (a) without MLP, (b) with collapsed matrices, and (c) symmetric similarity matrices exhibit similar performance as the original architecture, saving up to 90% of parameters without hurting the classification performance.

Semantic textual similarity (STS) is a critical task in natural language processing (NLP), enabling applications in retrieval, clustering, and understanding semantic relationships between texts. However, research in this area for the Arabic language remains limited due to the lack of high-quality datasets and pre-trained models. This scarcity of resources has restricted the accurate evaluation and advance of semantic similarity in Arabic text. This paper introduces General Arabic Text Embedding (GATE) models that achieve state-of-the-art performance on the Semantic Textual Similarity task within the MTEB benchmark. GATE leverages Matryoshka Representation Learning and a hybrid loss training approach with Arabic triplet datasets for Natural Language Inference, which are essential for enhancing model performance in tasks that demand fine-grained semantic understanding. GATE outperforms larger models, including OpenAI, with a 20-25% performance improvement on STS benchmarks, effectively capturing the unique semantic nuances of Arabic.

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 the Similarity-Distance-Magnitude (SDM) activation function, a more robust and interpretable formulation of the standard softmax activation function, adding Similarity (i.e., correctly predicted depth-matches into training) awareness and Distance-to-training-distribution awareness to the existing output Magnitude (i.e., decision-boundary) awareness, and enabling interpretability-by-exemplar via dense matching. We further introduce the SDM estimator, based on a data-driven partitioning of the class-wise empirical CDFs via the SDM activation, to control the class- and prediction-conditional accuracy among selective classifications. When used as the final-layer activation over pre-trained language models for selective classification, the SDM estimator is more robust to co-variate shifts and out-of-distribution inputs than existing calibration methods using softmax activations, while remaining informative over in-distribution data.

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.

Perceptual similarity metrics have progressively become more correlated with human judgments on perceptual similarity; however, despite recent advances, the addition of an imperceptible distortion can still compromise these metrics. In our study, we systematically examine the robustness of these metrics to imperceptible adversarial perturbations. Following the two-alternative forced-choice experimental design with two distorted images and one reference image, we perturb the distorted image closer to the reference via an adversarial attack until the metric flips its judgment. We first show that all metrics in our study are susceptible to perturbations generated via common adversarial attacks such as FGSM, PGD, and the One-pixel attack. Next, we attack the widely adopted LPIPS metric using spatial-transformation-based adversarial perturbations (stAdv) in a white-box setting to craft adversarial examples that can effectively transfer to other similarity metrics in a black-box setting. We also combine the spatial attack stAdv with PGD (ell_infty-bounded) attack to increase transferability and use these adversarial examples to benchmark the robustness of both traditional and recently developed metrics. Our benchmark provides a good starting point for discussion and further research on the robustness of metrics to imperceptible adversarial perturbations.

A family of loss functions built on pair-based computation have been proposed in the literature which provide a myriad of solutions for deep metric learning. In this paper, we provide a general weighting framework for understanding recent pair-based loss functions. Our contributions are three-fold: (1) we establish a General Pair Weighting (GPW) framework, which casts the sampling problem of deep metric learning into a unified view of pair weighting through gradient analysis, providing a powerful tool for understanding recent pair-based loss functions; (2) we show that with GPW, various existing pair-based methods can be compared and discussed comprehensively, with clear differences and key limitations identified; (3) we propose a new loss called multi-similarity loss (MS loss) under the GPW, which is implemented in two iterative steps (i.e., mining and weighting). This allows it to fully consider three similarities for pair weighting, providing a more principled approach for collecting and weighting informative pairs. Finally, the proposed MS loss obtains new state-of-the-art performance on four image retrieval benchmarks, where it outperforms the most recent approaches, such as ABEKim_2018_ECCV and HTL by a large margin: 60.6% to 65.7% on CUB200, and 80.9% to 88.0% on In-Shop Clothes Retrieval dataset at Recall@1. Code is available at https://github.com/MalongTech/research-ms-loss.

Developing advanced medical imaging retrieval systems is challenging due to the varying definitions of `similar images' across different medical contexts. This challenge is compounded by the lack of large-scale, high-quality medical imaging retrieval datasets and benchmarks. In this paper, we propose a novel methodology that leverages dense radiology reports to define image-wise similarity ordering at multiple granularities in a scalable and fully automatic manner. Using this approach, we construct two comprehensive medical imaging retrieval datasets: MIMIC-IR for Chest X-rays and CTRATE-IR for CT scans, providing detailed image-image ranking annotations conditioned on diverse anatomical structures. Furthermore, we develop two retrieval systems, RadIR-CXR and model-ChestCT, which demonstrate superior performance in traditional image-image and image-report retrieval tasks. These systems also enable flexible, effective image retrieval conditioned on specific anatomical structures described in text, achieving state-of-the-art results on 77 out of 78 metrics.

As large language models become increasingly capable at various writing tasks, their weakness at generating unique and creative content becomes a major liability. Although LLMs have the ability to generate text covering diverse topics, there is an overall sense of repetitiveness across texts that we aim to formalize and quantify via a similarity metric. The familiarity between documents arises from the persistence of underlying discourse structures. However, existing similarity metrics dependent on lexical overlap and syntactic patterns largely capture content overlap, thus making them unsuitable for detecting structural similarities. We introduce an abstraction based on linguistic theories in Questions Under Discussion (QUD) and question semantics to help quantify differences in discourse progression. We then use this framework to build QUDsim, a similarity metric that can detect discursive parallels between documents. Using QUDsim, we find that LLMs often reuse discourse structures (more so than humans) across samples, even when content differs. Furthermore, LLMs are not only repetitive and structurally uniform, but are also divergent from human authors in the types of structures they use.

Tensorial neural networks (TNNs) combine the successes of multilinear algebra with those of deep learning to enable extremely efficient reduced-order models of high-dimensional problems. Here, I describe a deep neural network architecture that fuses multiple TNNs into a larger network, intended to solve a broader class of problems than a single TNN. I evaluate this architecture, referred to as a "stacked tensorial neural network" (STNN), on a parametric PDE with three independent variables and three parameters. The three parameters correspond to one PDE coefficient and two quantities describing the domain geometry. The STNN provides an accurate reduced-order description of the solution manifold over a wide range of parameters. There is also evidence of meaningful generalization to parameter values outside its training data. Finally, while the STNN architecture is relatively simple and problem agnostic, it can be regularized to incorporate problem-specific features like symmetries and physical modeling assumptions.

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/.

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.

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.

Latent representations learned by neural networks often exhibit semantic structure, where concept similarity is reflected by geometric proximity in embedding space. However, comparing such spaces across models remains difficult: changes in architecture, pretraining data, objective, or random seed can yield embeddings with similar content but incompatible geometry. This latent space alignment problem is central to interpretability, transfer and multimodal learning, federated systems, and semantic communication; however, progress remains limited by the lack of large-scale, model-diverse, and metadata-rich benchmarks. To address this gap, we introduce SEMASIA, a large-scale collection of latent representations extracted from approximately 1,700 pretrained vision models across eight standard image-classification benchmarks. SEMASIA pairs embeddings with structured metadata describing architectures, training regimes, pretraining sources, and model scale. We demonstrate three applications of the resource. First, we analyze the conceptual organization of individual latent spaces, showing consistent prototype-like clustering and hierarchical semantic neighborhoods across models and datasets. Second, we benchmark supervised alignment mappings between latent spaces using reconstruction error and downstream task performance. Third, we perform a large-scale regression analysis of how pretraining-data complexity, specialization, transfer learning, augmentation, and model scale relate to geometric and probing properties of embeddings. By coupling representational scale with standardized metadata, SEMASIA provides a reproducible foundation for studying latent geometry, evaluating alignment methods, and developing next-generation heterogeneous and interoperable AI systems.

Using a nearly-frozen pretrained model, the continual representation learning paradigm reframes parameter updates as a similarity-matching problem to mitigate catastrophic forgetting. However, directly leveraging pretrained features for downstream tasks often suffers from multicollinearity in the similarity-matching stage, and more advanced methods can be computationally prohibitive for real-time, low-latency applications. Inspired by the fly olfactory circuit, we propose Fly-CL, a bio-inspired framework compatible with a wide range of pretrained backbones. Fly-CL substantially reduces training time while achieving performance comparable to or exceeding that of current state-of-the-art methods. We theoretically show how Fly-CL progressively resolves multicollinearity, enabling more effective similarity matching with low time complexity. Extensive simulation experiments across diverse network architectures and data regimes validate Fly-CL's effectiveness in addressing this challenge through a biologically inspired design. Code is available at https://github.com/gfyddha/Fly-CL.

Dynamic neuroimaging data, such as emission tomography measurements of radiotracer transport in blood or cerebrospinal fluid, often exhibit diffusion-like properties. These introduce distance-dependent temporal delays, scale-differences, and stretching effects that limit the effectiveness of conventional linear modeling and decomposition methods. To address this, we present the shift- and stretch-invariant non-negative matrix factorization framework. Our approach estimates both integer and non-integer temporal shifts as well as temporal stretching, all implemented in the frequency domain, where shifts correspond to phase modifications, and where stretching is handled via zero-padding or truncation. The model is implemented in PyTorch (https://github.com/anders-s-olsen/shiftstretchNMF). We demonstrate on synthetic data and brain emission tomography data that the model is able to account for stretching to provide more detailed characterization of brain tissue structure.

Currently, high-dimensional data is ubiquitous in data science, which necessitates the development of techniques to decompose and interpret such multidimensional (aka tensor) datasets. Finding a low dimensional representation of the data, that is, its inherent structure, is one of the approaches that can serve to understand the dynamics of low dimensional latent features hidden in the data. Nonnegative RESCAL is one such technique, particularly well suited to analyze self-relational data, such as dynamic networks found in international trade flows. Nonnegative RESCAL computes a low dimensional tensor representation by finding the latent space containing multiple modalities. Estimating the dimensionality of this latent space is crucial for extracting meaningful latent features. Here, to determine the dimensionality of the latent space with nonnegative RESCAL, we propose a latent dimension determination method which is based on clustering of the solutions of multiple realizations of nonnegative RESCAL decompositions. We demonstrate the performance of our model selection method on synthetic data and then we apply our method to decompose a network of international trade flows data from International Monetary Fund and validate the resulting features against empirical facts from economic literature.

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.

Symmetry learning has proven to be an effective approach for extracting the hidden structure of data, with the concept of equivariance relation playing the central role. However, most of the current studies are built on architectural theory and corresponding assumptions on the form of data. We propose Neural Fourier Transform (NFT), a general framework of learning the latent linear action of the group without assuming explicit knowledge of how the group acts on data. We present the theoretical foundations of NFT and show that the existence of a linear equivariant feature, which has been assumed ubiquitously in equivariance learning, is equivalent to the existence of a group invariant kernel on the dataspace. We also provide experimental results to demonstrate the application of NFT in typical scenarios with varying levels of knowledge about the acting group.

The last decade has witnessed the success of deep learning and the surge of publicly released trained models, which necessitates the quantification of the model functional distance for various purposes. However, quantifying the model functional distance is always challenging due to the opacity in inner workings and the heterogeneity in architectures or tasks. Inspired by the concept of "field" in physics, in this work we introduce Model Gradient Field (abbr. ModelGiF) to extract homogeneous representations from the heterogeneous pre-trained models. Our main assumption underlying ModelGiF is that each pre-trained deep model uniquely determines a ModelGiF over the input space. The distance between models can thus be measured by the similarity between their ModelGiFs. We validate the effectiveness of the proposed ModelGiF with a suite of testbeds, including task relatedness estimation, intellectual property protection, and model unlearning verification. Experimental results demonstrate the versatility of the proposed ModelGiF on these tasks, with significantly superiority performance to state-of-the-art competitors. Codes are available at https://github.com/zju-vipa/modelgif.

Cascaded models are multi-scale generative models with a marked capacity for producing perceptually impressive samples at high resolutions. In this work, we show that they can also be excellent likelihood models, so long as we overcome a fundamental difficulty with probabilistic multi-scale models: the intractability of the likelihood function. Chiefly, in cascaded models each intermediary scale introduces extraneous variables that cannot be tractably marginalized out for likelihood evaluation. This issue vanishes by modeling the diffusion process on latent spaces induced by a class of transformations we call hierarchical volume-preserving maps, which decompose spatially structured data in a hierarchical fashion without introducing local distortions in the latent space. We demonstrate that two such maps are well-known in the literature for multiscale modeling: Laplacian pyramids and wavelet transforms. Not only do such reparameterizations allow the likelihood function to be directly expressed as a joint likelihood over the scales, we show that the Laplacian pyramid and wavelet transform also produces significant improvements to the state-of-the-art on a selection of benchmarks in likelihood modeling, including density estimation, lossless compression, and out-of-distribution detection. Investigating the theoretical basis of our empirical gains we uncover deep connections to score matching under the Earth Mover's Distance (EMD), which is a well-known surrogate for perceptual similarity. Code can be found at https://github.com/lihenryhfl/pcdm{this https url}.

Embedding based product recommendations have gained popularity in recent years due to its ability to easily integrate to large-scale systems and allowing nearest neighbor searches in real-time. The bulk of studies in this area has predominantly been focused on similar item recommendations. Research on complementary item recommendations, on the other hand, still remains considerably under-explored. We define similar items as items that are interchangeable in terms of their utility and complementary items as items that serve different purposes, yet are compatible when used with one another. In this paper, we apply a novel approach to finding complementary items by leveraging dual embedding representations for products. We demonstrate that the notion of relatedness discovered in NLP for skip-gram negative sampling (SGNS) models translates effectively to the concept of complementarity when training item representations using co-purchase data. Since sparsity of purchase data is a major challenge in real-world scenarios, we further augment the model using synthetic samples to extend coverage. This allows the model to provide complementary recommendations for items that do not share co-purchase data by leveraging other abundantly available data modalities such as images, text, clicks etc. We establish the effectiveness of our approach in improving both coverage and quality of recommendations on real world data for a major online retail company. We further show the importance of task specific hyperparameter tuning in training SGNS. Our model is effective yet simple to implement, making it a great candidate for generating complementary item recommendations at any e-commerce website.

Transfer learning is crucial for medical imaging, yet the selection of source datasets - which can impact the generalizability of algorithms, and thus patient outcomes - often relies on researchers' intuition rather than systematic principles. This study investigates these decisions through a task-based survey with machine learning practitioners. Unlike prior work that benchmarks models and experimental setups, we take a human-centered HCI perspective on how practitioners select source datasets. Our findings indicate that choices are task-dependent and influenced by community practices, dataset properties, and computational (data embedding), or perceived visual or semantic similarity. However, similarity ratings and expected performance are not always aligned, challenging a traditional "more similar is better" view. Participants often used ambiguous terminology, which suggests a need for clearer definitions and HCI tools to make them explicit and usable. By clarifying these heuristics, this work provides practical insights for more systematic source selection in transfer learning.

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.

In the classical transformer attention scheme, we are given three n times d size matrices Q, K, V (the query, key, and value tokens), and the goal is to compute a new n times d size matrix D^{-1} exp(QK^top) V where D = diag( exp(QK^top) {bf 1}_n ). In this work, we study a generalization of attention which captures triple-wise correlations. This generalization is able to solve problems about detecting triple-wise connections that were shown to be impossible for transformers. The potential downside of this generalization is that it appears as though computations are even more difficult, since the straightforward algorithm requires cubic time in n. However, we show that in the bounded-entry setting (which arises in practice, and which is well-studied in both theory and practice), there is actually a near-linear time algorithm. More precisely, we show that bounded entries are both necessary and sufficient for quickly performing generalized computations: bullet On the positive side, if all entries of the input matrices are bounded above by o(sqrt[3]{log n}) then we show how to approximate the ``tensor-type'' attention matrix in n^{1+o(1)} time. bullet On the negative side, we show that if the entries of the input matrices may be as large as Omega(sqrt[3]{log n}), then there is no algorithm that runs faster than n^{3-o(1)} (assuming the Strong Exponential Time Hypothesis from fine-grained complexity theory). We also show that our construction, algorithms, and lower bounds naturally generalize to higher-order tensors and correlations. Interestingly, the higher the order of the tensors, the lower the bound on the entries needs to be for an efficient algorithm. Our results thus yield a natural tradeoff between the boundedness of the entries, and order of the tensor one may use for more expressive, efficient attention computation.

In the past two years, several points of view have been proposed to address the question of the generalization of the theory of free probability to random tensors with different invariances, and it is unclear at this point whether they lead to the same notions of tensorial free cumulants and freeness. One way to approach this problem, developed by Collins, Gurau and the second named author for local unitary invariant random tensors, relies on finite size quantities involving averages over the invariance group, and whose asymptotics naturally possess the properties expected for tensorial generalizations of free cumulants of arbitrary orders. At this point, this approach has only been carried out for certain distributions, and for a subset of the moments that define such theories, and a more systematic and exhaustive study is lacking. This is the program initiated in this paper: we link this approach to the one proposed by Nechita and Park; extend a number of their results as well as those of the aforementioned paper to arbitrary orders of fluctuations, thereby generalizing higher order free cumulants; push further the study of distributions with larger invariance groups; detail the link with the asymptotics of the free-energies of the tensor HCIZ and BGW integrals; and provide formulae for tensorial free cumulants of products of tensors. Another important question is that of the definition of concrete distributions whose tensorial free-cumulants take non-trivial values. We compute the tensorial free cumulants for Gaussian random tensors with non-trivial covariances, and show that they provide such examples.

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.