Daily Papers

In this paper, we introduce fastHDMI, a Python package designed for efficient variable screening in high-dimensional datasets, particularly neuroimaging data. This work pioneers the application of three mutual information estimation methods for neuroimaging variable selection, a novel approach implemented via fastHDMI. These advancements enhance our ability to analyze the complex structures of neuroimaging datasets, providing improved tools for variable selection in high-dimensional spaces. Using the preprocessed ABIDE dataset, we evaluate the performance of these methods through extensive simulations. The tests cover a range of conditions, including linear and nonlinear associations, as well as continuous and binary outcomes. Our results highlight the superiority of the FFTKDE-based mutual information estimation for feature screening in continuous nonlinear outcomes, while binning-based methods outperform others for binary outcomes with nonlinear probability preimages. For linear simulations, both Pearson correlation and FFTKDE-based methods show comparable performance for continuous outcomes, while Pearson excels in binary outcomes with linear probability preimages. A comprehensive case study using the ABIDE dataset further demonstrates fastHDMI's practical utility, showcasing the predictive power of models built from variables selected using our screening techniques. This research affirms the computational efficiency and methodological strength of fastHDMI, significantly enriching the toolkit available for neuroimaging analysis.

Deep neural networks have demonstrated remarkable performance across numerous learning tasks but often suffer from miscalibration, resulting in unreliable probability outputs. This has inspired many recent works on mitigating miscalibration, particularly through post-hoc recalibration methods that aim to obtain calibrated probabilities without sacrificing the classification performance of pre-trained models. In this study, we summarize and categorize previous works into three general strategies: intuitively designed methods, binning-based methods, and methods based on formulations of ideal calibration. Through theoretical and practical analysis, we highlight ten common limitations in previous approaches. To address these limitations, we propose a probabilistic learning framework for calibration called h-calibration, which theoretically constructs an equivalent learning formulation for canonical calibration with boundedness. On this basis, we design a simple yet effective post-hoc calibration algorithm. Our method not only overcomes the ten identified limitations but also achieves markedly better performance than traditional methods, as validated by extensive experiments. We further analyze, both theoretically and experimentally, the relationship and advantages of our learning objective compared to traditional proper scoring rule. In summary, our probabilistic framework derives an approximately equivalent differentiable objective for learning error-bounded calibrated probabilities, elucidating the correspondence and convergence properties of computational statistics with respect to theoretical bounds in canonical calibration. The theoretical effectiveness is verified on standard post-hoc calibration benchmarks by achieving state-of-the-art performance. This research offers valuable reference for learning reliable likelihood in related fields.

Large-scale embedding-based retrieval (EBR) is the cornerstone of search-related industrial applications. Given a user query, the system of EBR aims to identify relevant information from a large corpus of documents that may be tens or hundreds of billions in size. The storage and computation turn out to be expensive and inefficient with massive documents and high concurrent queries, making it difficult to further scale up. To tackle the challenge, we propose a binary embedding-based retrieval (BEBR) engine equipped with a recurrent binarization algorithm that enables customized bits per dimension. Specifically, we compress the full-precision query and document embeddings, formulated as float vectors in general, into a composition of multiple binary vectors using a lightweight transformation model with residual multilayer perception (MLP) blocks. We can therefore tailor the number of bits for different applications to trade off accuracy loss and cost savings. Importantly, we enable task-agnostic efficient training of the binarization model using a new embedding-to-embedding strategy. We also exploit the compatible training of binary embeddings so that the BEBR engine can support indexing among multiple embedding versions within a unified system. To further realize efficient search, we propose Symmetric Distance Calculation (SDC) to achieve lower response time than Hamming codes. We successfully employed the introduced BEBR to Tencent products, including Sogou, Tencent Video, QQ World, etc. The binarization algorithm can be seamlessly generalized to various tasks with multiple modalities. Extensive experiments on offline benchmarks and online A/B tests demonstrate the efficiency and effectiveness of our method, significantly saving 30%~50% index costs with almost no loss of accuracy at the system level.

Binarization, which converts weight parameters to binary values, has emerged as an effective strategy to reduce the size of large language models (LLMs). However, typical binarization techniques significantly diminish linguistic effectiveness of LLMs. To address this issue, we introduce a novel binarization technique called Mixture of Scales (BinaryMoS). Unlike conventional methods, BinaryMoS employs multiple scaling experts for binary weights, dynamically merging these experts for each token to adaptively generate scaling factors. This token-adaptive approach boosts the representational power of binarized LLMs by enabling contextual adjustments to the values of binary weights. Moreover, because this adaptive process only involves the scaling factors rather than the entire weight matrix, BinaryMoS maintains compression efficiency similar to traditional static binarization methods. Our experimental results reveal that BinaryMoS surpasses conventional binarization techniques in various natural language processing tasks and even outperforms 2-bit quantization methods, all while maintaining similar model size to static binarization techniques.

Binary Neural Network (BNN) represents convolution weights with 1-bit values, which enhances the efficiency of storage and computation. This paper is motivated by a previously revealed phenomenon that the binary kernels in successful BNNs are nearly power-law distributed: their values are mostly clustered into a small number of codewords. This phenomenon encourages us to compact typical BNNs and obtain further close performance through learning non-repetitive kernels within a binary kernel subspace. Specifically, we regard the binarization process as kernel grouping in terms of a binary codebook, and our task lies in learning to select a smaller subset of codewords from the full codebook. We then leverage the Gumbel-Sinkhorn technique to approximate the codeword selection process, and develop the Permutation Straight-Through Estimator (PSTE) that is able to not only optimize the selection process end-to-end but also maintain the non-repetitive occupancy of selected codewords. Experiments verify that our method reduces both the model size and bit-wise computational costs, and achieves accuracy improvements compared with state-of-the-art BNNs under comparable budgets.

Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this challenge, with sampling-based and regression-based methods emerging as two prominent approaches. However, these methods have notable limitations. Sampling-based methods often suffer from low efficiency due to the need for generating multiple candidate structures for selection. On the other hand, regression-based methods offer fast predictions but may experience decreased accuracy. Additionally, the variation in protein sizes often requires external modules for selecting suitable binding pockets, further impacting efficiency. In this work, we propose FABind, an end-to-end model that combines pocket prediction and docking to achieve accurate and fast protein-ligand binding. FABind incorporates a unique ligand-informed pocket prediction module, which is also leveraged for docking pose estimation. The model further enhances the docking process by incrementally integrating the predicted pocket to optimize protein-ligand binding, reducing discrepancies between training and inference. Through extensive experiments on benchmark datasets, our proposed FABind demonstrates strong advantages in terms of effectiveness and efficiency compared to existing methods. Our code is available at https://github.com/QizhiPei/FABind

Protein-ligand binding affinity prediction is essential for drug discovery and toxicity assessment. While machine learning (ML) promises fast and accurate predictions, its progress is constrained by the availability of reliable data. In contrast, physics-based methods such as absolute binding free energy perturbation (AB-FEP) deliver high accuracy but are computationally prohibitive for high-throughput applications. To bridge this gap, we introduce ToxBench, the first large-scale AB-FEP dataset designed for ML development and focused on a single pharmaceutically critical target, Human Estrogen Receptor Alpha (ERalpha). ToxBench contains 8,770 ERalpha-ligand complex structures with binding free energies computed via AB-FEP with a subset validated against experimental affinities at 1.75 kcal/mol RMSE, along with non-overlapping ligand splits to assess model generalizability. Using ToxBench, we further benchmark state-of-the-art ML methods, and notably, our proposed DualBind model, which employs a dual-loss framework to effectively learn the binding energy function. The benchmark results demonstrate the superior performance of DualBind and the potential of ML to approximate AB-FEP at a fraction of the computational cost.

The rise of Large Language Models (LLMs) has heightened concerns about the misuse of AI-generated text, making watermarking a promising solution. Mainstream watermarking schemes for LLMs fall into two categories: logits-based and sampling-based. However, current schemes entail trade-offs among robustness, text quality, and security. To mitigate this, we integrate logits-based and sampling-based schemes, harnessing their respective strengths to achieve synergy. In this paper, we propose a versatile symbiotic watermarking framework with three strategies: serial, parallel, and hybrid. The hybrid framework adaptively embeds watermarks using token entropy and semantic entropy, optimizing the balance between detectability, robustness, text quality, and security. Furthermore, we validate our approach through comprehensive experiments on various datasets and models. Experimental results indicate that our method outperforms existing baselines and achieves state-of-the-art (SOTA) performance. We believe this framework provides novel insights into diverse watermarking paradigms. Our code is available at https://github.com/redwyd/SymMark{https://github.com/redwyd/SymMark}.

Microbes have a profound impact on our health and environment, but our understanding of the diversity and function of microbial communities is severely limited. Through DNA sequencing of microbial communities (metagenomics), DNA fragments (reads) of the individual microbes can be obtained, which through assembly graphs can be combined into long contiguous DNA sequences (contigs). Given the complexity of microbial communities, single contig microbial genomes are rarely obtained. Instead, contigs are eventually clustered into bins, with each bin ideally making up a full genome. This process is referred to as metagenomic binning. Current state-of-the-art techniques for metagenomic binning rely only on the local features for the individual contigs. These techniques therefore fail to exploit the similarities between contigs as encoded by the assembly graph, in which the contigs are organized. In this paper, we propose to use Graph Neural Networks (GNNs) to leverage the assembly graph when learning contig representations for metagenomic binning. Our method, VaeG-Bin, combines variational autoencoders for learning latent representations of the individual contigs, with GNNs for refining these representations by taking into account the neighborhood structure of the contigs in the assembly graph. We explore several types of GNNs and demonstrate that VaeG-Bin recovers more high-quality genomes than other state-of-the-art binners on both simulated and real-world datasets.

Recently, significant progress has been made in protein-ligand docking, especially in modern deep learning methods, and some benchmarks were proposed, e.g., PoseBench, Plinder. However, these benchmarks suffer from less practical evaluation setups (e.g., blind docking, self docking), or heavy framework that involves training, raising challenges to assess docking methods efficiently. To fill this gap, we proposed PoseX, an open-source benchmark focusing on self-docking and cross-docking, to evaluate the algorithmic advances practically and comprehensively. Specifically, first, we curate a new evaluation dataset with 718 entries for self docking and 1,312 for cross docking; second, we incorporate 22 docking methods across three methodological categories, including (1) traditional physics-based methods (e.g., Schr\"odinger Glide), (2) AI docking methods (e.g., DiffDock), (3) AI co-folding methods (e.g., AlphaFold3); third, we design a relaxation method as post-processing to minimize conformation energy and refine binding pose; fourth, we released a leaderboard to rank submitted models in real time. We draw some key insights via extensive experiments: (1) AI-based approaches have already surpassed traditional physics-based approaches in overall docking accuracy (RMSD). The longstanding generalization issues that have plagued AI molecular docking have been significantly alleviated in the latest models. (2) The stereochemical deficiencies of AI-based approaches can be greatly alleviated with post-processing relaxation. Combining AI docking methods with the enhanced relaxation method achieves the best performance to date. (3) AI co-folding methods commonly face ligand chirality issues, which cannot be resolved by relaxation. The code, curated dataset and leaderboard are released at https://github.com/CataAI/PoseX.

Binary code is pervasive, and binary analysis is a key task in reverse engineering, malware classification, and vulnerability discovery. Unfortunately, while there exist large corpuses of malicious binaries, obtaining high-quality corpuses of benign binaries for modern systems has proven challenging (e.g., due to licensing issues). Consequently, machine learning based pipelines for binary analysis utilize either costly commercial corpuses (e.g., VirusTotal) or open-source binaries (e.g., coreutils) available in limited quantities. To address these issues, we present Assemblage: an extensible cloud-based distributed system that crawls, configures, and builds Windows PE binaries to obtain high-quality binary corpuses suitable for training state-of-the-art models in binary analysis. We have run Assemblage on AWS over the past year, producing 890k Windows PE and 428k Linux ELF binaries across 29 configurations. Assemblage is designed to be both reproducible and extensible, enabling users to publish "recipes" for their datasets, and facilitating the extraction of a wide array of features. We evaluated Assemblage by using its data to train modern learning-based pipelines for compiler provenance and binary function similarity. Our results illustrate the practical need for robust corpuses of high-quality Windows PE binaries in training modern learning-based binary analyses. Assemblage can be downloaded from https://assemblage-dataset.net

The detection and recognition of unconstrained text is an open problem in research. Text in comic books has unusual styles that raise many challenges for text detection. This work aims to binarize text in a comic genre with highly sophisticated text styles: Japanese manga. To overcome the lack of a manga dataset with text annotations at a pixel level, we create our own. To improve the evaluation and search of an optimal model, in addition to standard metrics in binarization, we implement other special metrics. Using these resources, we designed and evaluated a deep network model, outperforming current methods for text binarization in manga in most metrics.

Network binarization emerges as one of the most promising compression approaches offering extraordinary computation and memory savings by minimizing the bit-width. However, recent research has shown that applying existing binarization algorithms to diverse tasks, architectures, and hardware in realistic scenarios is still not straightforward. Common challenges of binarization, such as accuracy degradation and efficiency limitation, suggest that its attributes are not fully understood. To close this gap, we present BiBench, a rigorously designed benchmark with in-depth analysis for network binarization. We first carefully scrutinize the requirements of binarization in the actual production and define evaluation tracks and metrics for a comprehensive and fair investigation. Then, we evaluate and analyze a series of milestone binarization algorithms that function at the operator level and with extensive influence. Our benchmark reveals that 1) the binarized operator has a crucial impact on the performance and deployability of binarized networks; 2) the accuracy of binarization varies significantly across different learning tasks and neural architectures; 3) binarization has demonstrated promising efficiency potential on edge devices despite the limited hardware support. The results and analysis also lead to a promising paradigm for accurate and efficient binarization. We believe that BiBench will contribute to the broader adoption of binarization and serve as a foundation for future research. The code for our BiBench is released https://github.com/htqin/BiBench .

The last few years have seen the development of numerous deep learning-based protein-ligand docking methods. They offer huge promise in terms of speed and accuracy. However, despite claims of state-of-the-art performance in terms of crystallographic root-mean-square deviation (RMSD), upon closer inspection, it has become apparent that they often produce physically implausible molecular structures. It is therefore not sufficient to evaluate these methods solely by RMSD to a native binding mode. It is vital, particularly for deep learning-based methods, that they are also evaluated on steric and energetic criteria. We present PoseBusters, a Python package that performs a series of standard quality checks using the well-established cheminformatics toolkit RDKit. Only methods that both pass these checks and predict native-like binding modes should be classed as having "state-of-the-art" performance. We use PoseBusters to compare five deep learning-based docking methods (DeepDock, DiffDock, EquiBind, TankBind, and Uni-Mol) and two well-established standard docking methods (AutoDock Vina and CCDC Gold) with and without an additional post-prediction energy minimisation step using a molecular mechanics force field. We show that both in terms of physical plausibility and the ability to generalise to examples that are distinct from the training data, no deep learning-based method yet outperforms classical docking tools. In addition, we find that molecular mechanics force fields contain docking-relevant physics missing from deep-learning methods. PoseBusters allows practitioners to assess docking and molecular generation methods and may inspire new inductive biases still required to improve deep learning-based methods, which will help drive the development of more accurate and more realistic predictions.

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.

Clustering is a NP-hard problem. Thus, no optimal algorithm exists, heuristics are applied to cluster the data. Heuristics can be very resource-intensive, if not applied properly. For substantially large data sets computational efficiencies can be achieved by reducing the input space if a minimal loss of information can be achieved. Clustering algorithms, in general, face two common problems: 1) these converge to different settings with different initial conditions and; 2) the number of clusters has to be arbitrarily decided beforehand. This problem has become critical in the realm of big data. Recently, clustering algorithms have emerged which can speedup computations using parallel processing over the grid but face the aforementioned problems. Goals: Our goals are to find methods to cluster data which: 1) guarantee convergence to the same settings irrespective of the initial conditions; 2) eliminate the need to establish the number of clusters beforehand, and 3) can be applied to cluster large datasets. Methods: We introduce a method that combines probabilistic and combinatorial clustering methods to produce repeatable and compact clusters that are not sensitive to initial conditions. This method harnesses the power of k-means (a combinatorial clustering method) to cluster/partition very large dimensional datasets and uses the Gaussian Mixture Model (a probabilistic clustering method) to validate the k-means partitions. Results: We show that this method produces very compact clusters that are not sensitive to initial conditions. This method can be used to identify the most 'separable' set in a dataset which increases the 'clusterability' of a dataset. This method also eliminates the need to specify the number of clusters in advance.

Recently, segmentation-based methods are quite popular in scene text detection, as the segmentation results can more accurately describe scene text of various shapes such as curve text. However, the post-processing of binarization is essential for segmentation-based detection, which converts probability maps produced by a segmentation method into bounding boxes/regions of text. In this paper, we propose a module named Differentiable Binarization (DB), which can perform the binarization process in a segmentation network. Optimized along with a DB module, a segmentation network can adaptively set the thresholds for binarization, which not only simplifies the post-processing but also enhances the performance of text detection. Based on a simple segmentation network, we validate the performance improvements of DB on five benchmark datasets, which consistently achieves state-of-the-art results, in terms of both detection accuracy and speed. In particular, with a light-weight backbone, the performance improvements by DB are significant so that we can look for an ideal tradeoff between detection accuracy and efficiency. Specifically, with a backbone of ResNet-18, our detector achieves an F-measure of 82.8, running at 62 FPS, on the MSRA-TD500 dataset. Code is available at: https://github.com/MhLiao/DB

Effective DNA embedding remains crucial in genomic analysis, particularly in scenarios lacking labeled data for model fine-tuning, despite the significant advancements in genome foundation models. A prime example is metagenomics binning, a critical process in microbiome research that aims to group DNA sequences by their species from a complex mixture of DNA sequences derived from potentially thousands of distinct, often uncharacterized species. To fill the lack of effective DNA embedding models, we introduce DNABERT-S, a genome foundation model that specializes in creating species-aware DNA embeddings. To encourage effective embeddings to error-prone long-read DNA sequences, we introduce Manifold Instance Mixup (MI-Mix), a contrastive objective that mixes the hidden representations of DNA sequences at randomly selected layers and trains the model to recognize and differentiate these mixed proportions at the output layer. We further enhance it with the proposed Curriculum Contrastive Learning (C^2LR) strategy. Empirical results on 18 diverse datasets showed DNABERT-S's remarkable performance. It outperforms the top baseline's performance in 10-shot species classification with just a 2-shot training while doubling the Adjusted Rand Index (ARI) in species clustering and substantially increasing the number of correctly identified species in metagenomics binning. The code, data, and pre-trained model are publicly available at https://github.com/Zhihan1996/DNABERT_S.

This paper studies fast fusion of dense retrieval and sparse lexical retrieval, and proposes a cluster-based selective dense retrieval method called CluSD guided by sparse lexical retrieval. CluSD takes a lightweight cluster-based approach and exploits the overlap of sparse retrieval results and embedding clusters in a two-stage selection process with an LSTM model to quickly identify relevant clusters while incurring limited extra memory space overhead. CluSD triggers partial dense retrieval and performs cluster-based block disk I/O if needed. This paper evaluates CluSD and compares it with several baselines for searching in-memory and on-disk MS MARCO and BEIR datasets.

In this dissertation we report results of our research on dense distributed representations of text data. We propose two novel neural models for learning such representations. The first model learns representations at the document level, while the second model learns word-level representations. For document-level representations we propose Binary Paragraph Vector: a neural network models for learning binary representations of text documents, which can be used for fast document retrieval. We provide a thorough evaluation of these models and demonstrate that they outperform the seminal method in the field in the information retrieval task. We also report strong results in transfer learning settings, where our models are trained on a generic text corpus and then used to infer codes for documents from a domain-specific dataset. In contrast to previously proposed approaches, Binary Paragraph Vector models learn embeddings directly from raw text data. For word-level representations we propose Disambiguated Skip-gram: a neural network model for learning multi-sense word embeddings. Representations learned by this model can be used in downstream tasks, like part-of-speech tagging or identification of semantic relations. In the word sense induction task Disambiguated Skip-gram outperforms state-of-the-art models on three out of four benchmarks datasets. Our model has an elegant probabilistic interpretation. Furthermore, unlike previous models of this kind, it is differentiable with respect to all its parameters and can be trained with backpropagation. In addition to quantitative results, we present qualitative evaluation of Disambiguated Skip-gram, including two-dimensional visualisations of selected word-sense embeddings.

Recent research has repeatedly shown that machine learning techniques can be applied to either whole files or file fragments to classify them for analysis. We build upon these techniques to show that for samples of un-labeled compiled computer object code, one can apply the same type of analysis to classify important aspects of the code, such as its target architecture and endianess. We show that using simple byte-value histograms we retain enough information about the opcodes within a sample to classify the target architecture with high accuracy, and then discuss heuristic-based features that exploit information within the operands to determine endianess. We introduce a dataset with over 16000 code samples from 20 architectures and experimentally show that by using our features, classifiers can achieve very high accuracy with relatively small sample sizes.

Neural architecture search (NAS) can have a significant impact in computer vision by automatically designing optimal neural network architectures for various tasks. A variant, binarized neural architecture search (BNAS), with a search space of binarized convolutions, can produce extremely compressed models. Unfortunately, this area remains largely unexplored. BNAS is more challenging than NAS due to the learning inefficiency caused by optimization requirements and the huge architecture space. To address these issues, we introduce channel sampling and operation space reduction into a differentiable NAS to significantly reduce the cost of searching. This is accomplished through a performance-based strategy used to abandon less potential operations. Two optimization methods for binarized neural networks are used to validate the effectiveness of our BNAS. Extensive experiments demonstrate that the proposed BNAS achieves a performance comparable to NAS on both CIFAR and ImageNet databases. An accuracy of 96.53% vs. 97.22% is achieved on the CIFAR-10 dataset, but with a significantly compressed model, and a 40% faster search than the state-of-the-art PC-DARTS.

Neural sequence models are widely used to model time-series data. Equally ubiquitous is the usage of beam search (BS) as an approximate inference algorithm to decode output sequences from these models. BS explores the search space in a greedy left-right fashion retaining only the top-B candidates - resulting in sequences that differ only slightly from each other. Producing lists of nearly identical sequences is not only computationally wasteful but also typically fails to capture the inherent ambiguity of complex AI tasks. To overcome this problem, we propose Diverse Beam Search (DBS), an alternative to BS that decodes a list of diverse outputs by optimizing for a diversity-augmented objective. We observe that our method finds better top-1 solutions by controlling for the exploration and exploitation of the search space - implying that DBS is a better search algorithm. Moreover, these gains are achieved with minimal computational or memory over- head as compared to beam search. To demonstrate the broad applicability of our method, we present results on image captioning, machine translation and visual question generation using both standard quantitative metrics and qualitative human studies. Further, we study the role of diversity for image-grounded language generation tasks as the complexity of the image changes. We observe that our method consistently outperforms BS and previously proposed techniques for diverse decoding from neural sequence models.

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

With growing abilities of generative models, artificial content detection becomes an increasingly important and difficult task. However, all popular approaches to this problem suffer from poor generalization across domains and generative models. In this work, we focus on the robustness of AI-generated image (AIGI) detectors. We analyze existing state-of-the-art AIGI detection methods based on frozen CLIP embeddings and show how to interpret them, shedding light on how images produced by various AI generators differ from real ones. Next we propose two ways to improve robustness: based on removing harmful components of the embedding vector and based on selecting the best performing attention heads in the image encoder model. Our methods increase the mean out-of-distribution (OOD) classification score by up to 6% for cross-model transfer. We also propose a new dataset for AIGI detection and use it in our evaluation; we believe this dataset will help boost further research. The dataset and code are provided as a supplement.

Real world deployments of word alignment are almost certain to cover both high and low resource languages. However, the state-of-the-art for this task recommends a different model class depending on the availability of gold alignment training data for a particular language pair. We propose BinaryAlign, a novel word alignment technique based on binary sequence labeling that outperforms existing approaches in both scenarios, offering a unifying approach to the task. Additionally, we vary the specific choice of multilingual foundation model, perform stratified error analysis over alignment error type, and explore the performance of BinaryAlign on non-English language pairs. We make our source code publicly available.

Self-supervised features are the cornerstone of modern machine learning systems. They are typically pre-trained on data collections whose construction and curation typically require extensive human effort. This manual process has some limitations similar to those encountered in supervised learning, e.g., the crowd-sourced selection of data is costly and time-consuming, preventing scaling the dataset size. In this work, we consider the problem of automatic curation of high-quality datasets for self-supervised pre-training. We posit that such datasets should be large, diverse and balanced, and propose a clustering-based approach for building ones satisfying all these criteria. Our method involves successive and hierarchical applications of k-means on a large and diverse data repository to obtain clusters that distribute uniformly among data concepts, followed by a hierarchical, balanced sampling step from these clusters. Extensive experiments on three different data domains including web-based images, satellite images and text show that features trained on our automatically curated datasets outperform those trained on uncurated data while being on par or better than ones trained on manually curated data.

Clustering is an unsupervised learning problem that aims to partition unlabelled data points into groups with similar features. Traditional clustering algorithms provide limited insight into the groups they find as their main focus is accuracy and not the interpretability of the group assignments. This has spurred a recent line of work on explainable machine learning for clustering. In this paper we focus on the cluster description problem where, given a dataset and its partition into clusters, the task is to explain the clusters. We introduce a new approach to explain clusters by constructing polyhedra around each cluster while minimizing either the complexity of the resulting polyhedra or the number of features used in the description. We formulate the cluster description problem as an integer program and present a column generation approach to search over an exponential number of candidate half-spaces that can be used to build the polyhedra. To deal with large datasets, we introduce a novel grouping scheme that first forms smaller groups of data points and then builds the polyhedra around the grouped data, a strategy which out-performs simply sub-sampling data. Compared to state of the art cluster description algorithms, our approach is able to achieve competitive interpretability with improved description accuracy.

Most text-based information retrieval (IR) systems index objects by words or phrases. These discrete systems have been augmented by models that use embeddings to measure similarity in continuous space. But continuous-space models are typically used just to re-rank the top candidates. We consider the problem of end-to-end continuous retrieval, where standard approximate nearest neighbor (ANN) search replaces the usual discrete inverted index, and rely entirely on distances between learned embeddings. By training simple models specifically for retrieval, with an appropriate model architecture, we improve on a discrete baseline by 8% and 26% (MAP) on two similar-question retrieval tasks. We also discuss the problem of evaluation for retrieval systems, and show how to modify existing pairwise similarity datasets for this purpose.

LLM-agent based binary code analysis has demonstrated significant potential across a wide range of software security scenarios, including vulnerability detection, malware analysis, etc. In agent workflow, however, retrieving the positive from thousands of stripped binary functions based on user query remains under-studied and challenging, as the absence of symbolic information distinguishes it from source code retrieval. In this paper, we introduce, BinSeek, the first two-stage cross-modal retrieval framework for stripped binary code analysis. It consists of two models: BinSeekEmbedding is trained on large-scale dataset to learn the semantic relevance of the binary code and the natural language description, furthermore, BinSeek-Reranker learns to carefully judge the relevance of the candidate code to the description with context augmentation. To this end, we built an LLM-based data synthesis pipeline to automate training construction, also deriving a domain benchmark for future research. Our evaluation results show that BinSeek achieved the state-of-the-art performance, surpassing the the same scale models by 31.42% in Rec@3 and 27.17% in MRR@3, as well as leading the advanced general-purpose models that have 16 times larger parameters.

Most state-of-the-art open-domain question answering systems use a neural retrieval model to encode passages into continuous vectors and extract them from a knowledge source. However, such retrieval models often require large memory to run because of the massive size of their passage index. In this paper, we introduce Binary Passage Retriever (BPR), a memory-efficient neural retrieval model that integrates a learning-to-hash technique into the state-of-the-art Dense Passage Retriever (DPR) to represent the passage index using compact binary codes rather than continuous vectors. BPR is trained with a multi-task objective over two tasks: efficient candidate generation based on binary codes and accurate reranking based on continuous vectors. Compared with DPR, BPR substantially reduces the memory cost from 65GB to 2GB without a loss of accuracy on two standard open-domain question answering benchmarks: Natural Questions and TriviaQA. Our code and trained models are available at https://github.com/studio-ousia/bpr.

Language model performance depends on identifying the optimal mixture of data groups to train on (e.g., law, code, math). Prior work has proposed a diverse set of methods to efficiently learn mixture proportions, ranging from fitting regression models over training runs to dynamically updating proportions throughout training. Surprisingly, we find that no existing method consistently outperforms a simple stratified sampling baseline in terms of average test perplexity. To understand this inconsistency, we unify existing methods into a standard framework, showing they are equivalent to solving a common optimization problem: minimize average loss subject to a method-specific mixing law -- an implicit assumption on the relationship between loss and mixture proportions. This framework suggests that measuring the fidelity of a method's mixing law can offer insights into its performance. Empirically, we find that existing methods set their mixing law parameters inaccurately, resulting in the inconsistent mixing performance we observe. Using this insight, we derive a new online method named Aioli, which directly estimates the mixing law parameters throughout training and uses them to dynamically adjust proportions. Aioli outperforms stratified sampling on 6 out of 6 datasets by an average of 0.27 test perplexity points, whereas existing methods fail to consistently beat stratified sampling, doing up to 6.9 points worse. Moreover, in a practical setting where proportions are learned on shorter runs due to computational constraints, Aioli can dynamically adjust these proportions over the full training run, consistently improving performance over existing methods by up to 12.012 test perplexity points.

Recently, binary representation has been proposed as a novel representation that lies between continuous and discrete representations. It exhibits considerable information-preserving capability when being used to replace continuous input vectors. In this paper, we investigate the feasibility of further introducing it to the output side, aiming to allow models to output binary labels instead. To preserve the structural information on the output side along with label information, we extend the previous contrastive hashing method as structured contrastive hashing. More specifically, we upgrade CKY from label-level to bit-level, define a new similarity function with span marginal probabilities, and introduce a novel contrastive loss function with a carefully designed instance selection strategy. Our model achieves competitive performance on various structured prediction tasks, and demonstrates that binary representation can be considered a novel representation that further bridges the gap between the continuous nature of deep learning and the discrete intrinsic property of natural languages.

Retrieval-Augmented Generation (RAG) often relies on large vector databases and cross-encoders tuned for large-scale corpora, which can be excessive for small, domain-specific collections. We present MODE (Mixture of Document Experts), a lightweight alternative that replaces fine-grained nearest-neighbor search with cluster-and-route retrieval. Documents are embedded, grouped into semantically coherent clusters, and represented by cached centroids. At query time, we route to the top centroid(s) and retrieve context only within those clusters, eliminating external vector-database infrastructure and reranking while keeping latency low. On HotpotQA and SQuAD corpora with 100-500 chunks, MODE matches or exceeds a dense-retrieval baseline in answer quality while reducing end-to-end retrieval time. Ablations show that cluster granularity and multi-cluster routing control the recall/precision trade-off, and that tighter clusters improve downstream accuracy. MODE offers a practical recipe for small and medium corpora where simplicity, speed, and topical focus matter.

Quantized neural networks employ reduced precision representations for both weights and activations. This quantization process significantly reduces the memory requirements and computational complexity of the network. Binary Neural Networks (BNNs) are the extreme quantization case, representing values with just one bit. Since the sign function is typically used to map real values to binary values, smooth approximations are introduced to mimic the gradients during error backpropagation. Thus, the mismatch between the forward and backward models corrupts the direction of the gradient, causing training inconsistency problems and performance degradation. In contrast to current BNN approaches, we propose to employ a binary periodic (BiPer) function during binarization. Specifically, we use a square wave for the forward pass to obtain the binary values and employ the trigonometric sine function with the same period of the square wave as a differentiable surrogate during the backward pass. We demonstrate that this approach can control the quantization error by using the frequency of the periodic function and improves network performance. Extensive experiments validate the effectiveness of BiPer in benchmark datasets and network architectures, with improvements of up to 1% and 0.69% with respect to state-of-the-art methods in the classification task over CIFAR-10 and ImageNet, respectively. Our code is publicly available at https://github.com/edmav4/BiPer.

Correctly dealing with categorical data in a supervised learning context is still a major issue. Furthermore, though some machine learning methods embody builtin methods to deal with categorical features, it is unclear whether they bring some improvements and how do they compare with usual categorical encoding methods. In this paper, we describe several well-known categorical encoding methods that are based on target statistics and weight of evidence. We apply them on a large and real credit card fraud detection database. Then, we train the encoded databases using state-of-the-art gradient boosting methods and evaluate their performances. We show that categorical encoding methods generally bring substantial improvements with respect to the absence of encoding. The contribution of this work is twofold: (1) we compare many state-of-the-art "lite" categorical encoding methods on a large scale database and (2) we use a real credit card fraud detection database.

Deep learning research for binary analysis faces a critical infrastructure gap. Today, existing datasets target single platforms, require specialized tooling, or provide only hand-engineered features incompatible with modern neural architectures; no single dataset supports accessible research and pedagogy on realistic use cases. To solve this, we introduce Binary-30K, the first heterogeneous binary dataset designed for sequence-based models like transformers. Critically, Binary-30K covers Windows, Linux, macOS, and Android across 15+ CPU architectures. With 29,793 binaries and approximately 26.93% malware representation, Binary-30K enables research on platform-invariant detection, cross-target transfer learning, and long-context binary understanding. The dataset provides pre-computed byte-level BPE tokenization alongside comprehensive structural metadata, supporting both sequence modeling and structure-aware approaches. Platform-first stratified sampling ensures representative coverage across operating systems and architectures, while distribution via Hugging Face with official train/validation/test splits enables reproducible benchmarking. The dataset is publicly available at https://huggingface.co/datasets/mjbommar/binary-30k, providing an accessible resource for researchers, practitioners, and students alike.

This article introduces byteSteady -- a fast model for classification using byte-level n-gram embeddings. byteSteady assumes that each input comes as a sequence of bytes. A representation vector is produced using the averaged embedding vectors of byte-level n-grams, with a pre-defined set of n. The hashing trick is used to reduce the number of embedding vectors. This input representation vector is then fed into a linear classifier. A straightforward application of byteSteady is text classification. We also apply byteSteady to one type of non-language data -- DNA sequences for gene classification. For both problems we achieved competitive classification results against strong baselines, suggesting that byteSteady can be applied to both language and non-language data. Furthermore, we find that simple compression using Huffman coding does not significantly impact the results, which offers an accuracy-speed trade-off previously unexplored in machine learning.

Conditional neural text generation models generate high-quality outputs, but often concentrate around a mode when what we really want is a diverse set of options. We present a search algorithm to construct lattices encoding a massive number of generation options. First, we restructure decoding as a best-first search, which explores the space differently than beam search and improves efficiency by avoiding pruning paths. Second, we revisit the idea of hypothesis recombination: we can identify pairs of similar generation candidates during search and merge them as an approximation. On both summarization and machine translation, we show that our algorithm encodes thousands of diverse options that remain grammatical and high-quality into one lattice. This algorithm provides a foundation for building downstream generation applications on top of massive-scale diverse outputs.

The semantic matching capabilities of neural information retrieval can ameliorate synonymy and polysemy problems of symbolic approaches. However, neural models' dense representations are more suitable for re-ranking, due to their inefficiency. Sparse representations, either in symbolic or latent form, are more efficient with an inverted index. Taking the merits of the sparse and dense representations, we propose an ultra-high dimensional (UHD) representation scheme equipped with directly controllable sparsity. UHD's large capacity and minimal noise and interference among the dimensions allow for binarized representations, which are highly efficient for storage and search. Also proposed is a bucketing method, where the embeddings from multiple layers of BERT are selected/merged to represent diverse linguistic aspects. We test our models with MS MARCO and TREC CAR, showing that our models outperforms other sparse models

This book introduces the mathematical foundations and techniques that lead to the development and analysis of many of the algorithms that are used in machine learning. It starts with an introductory chapter that describes notation used throughout the book and serve at a reminder of basic concepts in calculus, linear algebra and probability and also introduces some measure theoretic terminology, which can be used as a reading guide for the sections that use these tools. The introductory chapters also provide background material on matrix analysis and optimization. The latter chapter provides theoretical support to many algorithms that are used in the book, including stochastic gradient descent, proximal methods, etc. After discussing basic concepts for statistical prediction, the book includes an introduction to reproducing kernel theory and Hilbert space techniques, which are used in many places, before addressing the description of various algorithms for supervised statistical learning, including linear methods, support vector machines, decision trees, boosting, or neural networks. The subject then switches to generative methods, starting with a chapter that presents sampling methods and an introduction to the theory of Markov chains. The following chapter describe the theory of graphical models, an introduction to variational methods for models with latent variables, and to deep-learning based generative models. The next chapters focus on unsupervised learning methods, for clustering, factor analysis and manifold learning. The final chapter of the book is theory-oriented and discusses concentration inequalities and generalization bounds.

We develop tools for explicitly constructing categories enriched over generating data and that compose via ordinary scalar and matrix arithmetic arithmetic operations. We characterize meaningful size maps, weightings, and magnitude that reveal features analogous to outliers that these same notions have previously been shown to reveal in the context of metric spaces. Throughout, we provide examples of such "outlier detection" relevant to the analysis of computer programs, neural networks, cyber-physical systems, and networks of communications channels.

Large language models exhibit exceptional generalization capabilities, primarily attributed to the utilization of diversely sourced data. However, conventional practices in integrating this diverse data heavily rely on heuristic schemes, lacking theoretical guidance. This research tackles these limitations by investigating strategies based on low-cost proxies for data mixtures, with the aim of streamlining data curation to enhance training efficiency. Specifically, we propose a unified scaling law, termed BiMix, which accurately models the bivariate scaling behaviors of both data quantity and mixing proportions. We conduct systematic experiments and provide empirical evidence for the predictive power and fundamental principles of BiMix. Notably, our findings reveal that entropy-driven training-free data mixtures can achieve comparable or even better performance than more resource-intensive methods. We hope that our quantitative insights can shed light on further judicious research and development in cost-effective language modeling.

A vector database is used to store high-dimensional data that cannot be characterized by traditional DBMS. Although there are not many articles describing existing or introducing new vector database architectures, the approximate nearest neighbor search problem behind vector databases has been studied for a long time, and considerable related algorithmic articles can be found in the literature. This article attempts to comprehensively review relevant algorithms to provide a general understanding of this booming research area. The basis of our framework categorises these studies by the approach of solving ANNS problem, respectively hash-based, tree-based, graph-based and quantization-based approaches. Then we present an overview of existing challenges for vector databases. Lastly, we sketch how vector databases can be combined with large language models and provide new possibilities.

In this work we introduce malware detection from raw byte sequences as a fruitful research area to the larger machine learning community. Building a neural network for such a problem presents a number of interesting challenges that have not occurred in tasks such as image processing or NLP. In particular, we note that detection from raw bytes presents a sequence problem with over two million time steps and a problem where batch normalization appear to hinder the learning process. We present our initial work in building a solution to tackle this problem, which has linear complexity dependence on the sequence length, and allows for interpretable sub-regions of the binary to be identified. In doing so we will discuss the many challenges in building a neural network to process data at this scale, and the methods we used to work around them.

Pretraining data of large language models composes multiple domains (e.g., web texts, academic papers, codes), whose mixture proportions crucially impact the competence of outcome models. While existing endeavors rely on heuristics or qualitative strategies to tune the proportions, we discover the quantitative predictability of model performance regarding the mixture proportions in function forms, which we refer to as the data mixing laws. Fitting such functions on sample mixtures unveils model performance on unseen mixtures before actual runs, thus guiding the selection of an ideal data mixture. Furthermore, we propose nested use of the scaling laws of training steps, model sizes, and our data mixing law to enable predicting the performance of large models trained on massive data under various mixtures with only small-scale training. Moreover, experimental results verify that our method effectively optimizes the training mixture of a 1B model trained for 100B tokens in RedPajama, reaching a performance comparable to the one trained for 48% more steps on the default mixture. Extending the application of data mixing laws to continual training accurately predicts the critical mixture proportion that avoids catastrophic forgetting and outlooks the potential for dynamic data schedules

We present our submission to the Task 5 of SemEval-2025 that aims to aid librarians in assigning subject tags to the library records by producing a list of likely relevant tags for a given document. We frame the task as an information retrieval problem, where the document content is used to retrieve subject tags from a large subject taxonomy. We leverage two types of encoder models to build a two-stage information retrieval system -- a bi-encoder for coarse-grained candidate extraction at the first stage, and a cross-encoder for fine-grained re-ranking at the second stage. This approach proved effective, demonstrating significant improvements in recall compared to single-stage methods and showing competitive results according to qualitative evaluation.

Histograms provide a powerful means of summarizing large data sets by representing their distribution in a compact, binned form. The HistogramTools R package enhances R built-in histogram functionality, offering advanced methods for manipulating and analyzing histograms, especially in large-scale data environments. Key features include the ability to serialize histograms using Protocol Buffers for distributed computing tasks, tools for merging and modifying histograms, and techniques for measuring and visualizing information loss in histogram representations. The package is particularly suited for environments utilizing MapReduce, where efficient storage and data sharing are critical. This paper presents various methods of histogram bin manipulation, distance measures, quantile approximation, and error estimation in cumulative distribution functions (CDFs) derived from histograms. Visualization techniques and efficient storage representations are also discussed alongside applications for large data processing and distributed computing tasks.

Code search is an important task that has seen many developments in recent years. However, previous attempts have mostly considered the problem of searching for code by a text query. We argue that using a code snippet (and possibly an associated traceback) as a query and looking for answers with bugfixing instructions and code samples is a natural use case that is not covered by existing approaches. Moreover, existing datasets use comments extracted from code rather than full-text descriptions as text, making them unsuitable for this use case. We present a new SearchBySnippet dataset implementing the search-by-code use case based on StackOverflow data; it turns out that in this setting, existing architectures fall short of the simplest BM25 baseline even after fine-tuning. We present a new single encoder model SnippeR that outperforms several strong baselines on the SearchBySnippet dataset with a result of 0.451 Recall@10; we propose the SearchBySnippet dataset and SnippeR as a new important benchmark for code search evaluation.

The rise in internet usage has led to the generation of massive amounts of data, resulting in the adoption of various supervised and semi-supervised machine learning algorithms, which can effectively utilize the colossal amount of data to train models. However, before deploying these models in the real world, these must be strictly evaluated on performance measures like worst-case recall and satisfy constraints such as fairness. We find that current state-of-the-art empirical techniques offer sub-optimal performance on these practical, non-decomposable performance objectives. On the other hand, the theoretical techniques necessitate training a new model from scratch for each performance objective. To bridge the gap, we propose SelMix, a selective mixup-based inexpensive fine-tuning technique for pre-trained models, to optimize for the desired objective. The core idea of our framework is to determine a sampling distribution to perform a mixup of features between samples from particular classes such that it optimizes the given objective. We comprehensively evaluate our technique against the existing empirical and theoretically principled methods on standard benchmark datasets for imbalanced classification. We find that proposed SelMix fine-tuning significantly improves the performance for various practical non-decomposable objectives across benchmarks.

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

We present a new approach for mitigating unfairness in learned classifiers. In particular, we focus on binary classification tasks over individuals from two populations, where, as our criterion for fairness, we wish to achieve similar false positive rates in both populations, and similar false negative rates in both populations. As a proof of concept, we implement our approach and empirically evaluate its ability to achieve both fairness and accuracy, using datasets from the fields of criminal risk assessment, credit, lending, and college admissions.

This paper introduces Bayesian Flow Networks (BFNs), a new class of generative model in which the parameters of a set of independent distributions are modified with Bayesian inference in the light of noisy data samples, then passed as input to a neural network that outputs a second, interdependent distribution. Starting from a simple prior and iteratively updating the two distributions yields a generative procedure similar to the reverse process of diffusion models; however it is conceptually simpler in that no forward process is required. Discrete and continuous-time loss functions are derived for continuous, discretised and discrete data, along with sample generation procedures. Notably, the network inputs for discrete data lie on the probability simplex, and are therefore natively differentiable, paving the way for gradient-based sample guidance and few-step generation in discrete domains such as language modelling. The loss function directly optimises data compression and places no restrictions on the network architecture. In our experiments BFNs achieve competitive log-likelihoods for image modelling on dynamically binarized MNIST and CIFAR-10, and outperform all known discrete diffusion models on the text8 character-level language modelling task.

With the advancement of diffusion models (DMs) and the substantially increased computational requirements, quantization emerges as a practical solution to obtain compact and efficient low-bit DMs. However, the highly discrete representation leads to severe accuracy degradation, hindering the quantization of diffusion models to ultra-low bit-widths. In this paper, we propose BinaryDM, a novel accurate quantization-aware training approach to push the weights of diffusion models towards the limit of 1-bit. Firstly, we present a Learnable Multi-basis Binarizer (LMB) to recover the representations generated by the binarized DM, which improves the information in details of representations crucial to the DM. Secondly, a Low-rank Representation Mimicking (LRM) is applied to enhance the binarization-aware optimization of the DM, alleviating the optimization direction ambiguity caused by fine-grained alignment. Moreover, a progressive initialization strategy is applied to training DMs to avoid convergence difficulties. Comprehensive experiments demonstrate that BinaryDM achieves significant accuracy and efficiency gains compared to SOTA quantization methods of DMs under ultra-low bit-widths. As the first binarization method for diffusion models, BinaryDM achieves impressive 16.0 times FLOPs and 27.1 times storage savings with 1-bit weight and 4-bit activation, showcasing its substantial advantages and potential for deploying DMs on resource-limited scenarios.

Decomposition-based multi-hop retrieval methods rely on many autoregressive steps to break down complex queries, which breaks end-to-end differentiability and is computationally expensive. Decomposition-free methods tackle this, but current decomposition-free approaches struggle with longer multi-hop problems and generalization to out-of-distribution data. To address these challenges, we introduce GRITHopper-7B, a novel multi-hop dense retrieval model that achieves state-of-the-art performance on both in-distribution and out-of-distribution benchmarks. GRITHopper combines generative and representational instruction tuning by integrating causal language modeling with dense retrieval training. Through controlled studies, we find that incorporating additional context after the retrieval process, referred to as post-retrieval language modeling, enhances dense retrieval performance. By including elements such as final answers during training, the model learns to better contextualize and retrieve relevant information. GRITHopper-7B offers a robust, scalable, and generalizable solution for multi-hop dense retrieval, and we release it to the community for future research and applications requiring multi-hop reasoning and retrieval capabilities.

A growing body of research has demonstrated the inability of NLP models to generalize compositionally and has tried to alleviate it through specialized architectures, training schemes, and data augmentation, among other approaches. In this work, we study a different approach: training on instances with diverse structures. We propose a model-agnostic algorithm for subsampling such sets of instances from a labeled instance pool with structured outputs. Evaluating on both compositional template splits and traditional IID splits of 5 semantic parsing datasets of varying complexity, we show that structurally diverse training using our algorithm leads to comparable or better generalization than prior algorithms in 9 out of 10 dataset-split type pairs. In general, we find structural diversity to consistently improve sample efficiency compared to random train sets. Moreover, we show that structurally diverse sampling yields comprehensive test sets that are a lot more challenging than IID test sets. Finally, we provide two explanations for improved generalization from diverse train sets: 1) improved coverage of output substructures, and 2) a reduction in spurious correlations between these substructures.

Beam search is the default decoding strategy for many sequence generation tasks in NLP. The set of approximate K-best items returned by the algorithm is a useful summary of the distribution for many applications; however, the candidates typically exhibit high overlap and may give a highly biased estimate for expectations under our model. These problems can be addressed by instead using stochastic decoding strategies. In this work, we propose a new method for turning beam search into a stochastic process: Conditional Poisson stochastic beam search. Rather than taking the maximizing set at each iteration, we sample K candidates without replacement according to the conditional Poisson sampling design. We view this as a more natural alternative to Kool et. al. 2019's stochastic beam search (SBS). Furthermore, we show how samples generated under the CPSBS design can be used to build consistent estimators and sample diverse sets from sequence models. In our experiments, we observe CPSBS produces lower variance and more efficient estimators than SBS, even showing improvements in high entropy settings.

Neural sentence embedding models for dense retrieval typically rely on binary relevance labels, treating query-document pairs as either relevant or irrelevant. However, real-world relevance often exists on a continuum, and recent advances in large language models (LLMs) have made it feasible to scale the generation of fine-grained graded relevance labels. In this work, we propose BiXSE, a simple and effective pointwise training method that optimizes binary cross-entropy (BCE) over LLM-generated graded relevance scores. BiXSE interprets these scores as probabilistic targets, enabling granular supervision from a single labeled query-document pair per query. Unlike pairwise or listwise losses that require multiple annotated comparisons per query, BiXSE achieves strong performance with reduced annotation and compute costs by leveraging in-batch negatives. Extensive experiments across sentence embedding (MMTEB) and retrieval benchmarks (BEIR, TREC-DL) show that BiXSE consistently outperforms softmax-based contrastive learning (InfoNCE), and matches or exceeds strong pairwise ranking baselines when trained on LLM-supervised data. BiXSE offers a robust, scalable alternative for training dense retrieval models as graded relevance supervision becomes increasingly accessible.

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

Chunking is a crucial preprocessing step in retrieval-augmented generation (RAG) systems, significantly impacting retrieval effectiveness across diverse datasets. In this study, we systematically evaluate fixed-size chunking strategies and their influence on retrieval performance using multiple embedding models. Our experiments, conducted on both short-form and long-form datasets, reveal that chunk size plays a critical role in retrieval effectiveness -- smaller chunks (64-128 tokens) are optimal for datasets with concise, fact-based answers, whereas larger chunks (512-1024 tokens) improve retrieval in datasets requiring broader contextual understanding. We also analyze the impact of chunking on different embedding models, finding that they exhibit distinct chunking sensitivities. While models like Stella benefit from larger chunks, leveraging global context for long-range retrieval, Snowflake performs better with smaller chunks, excelling at fine-grained, entity-based matching. Our results underscore the trade-offs between chunk size, embedding models, and dataset characteristics, emphasizing the need for improved chunk quality measures, and more comprehensive datasets to advance chunk-based retrieval in long-document Information Retrieval (IR).

Effective training of today's large language models (LLMs) depends on large batches and long sequences for throughput and accuracy. To handle variable-length sequences on hardware accelerators, it is common practice to introduce padding tokens, so that all sequences in a batch have the same length. We show in this paper that the variation in sequence lengths in common NLP datasets is such that up to 50% of all tokens can be padding. In less common, but not extreme, cases (e.g. GLUE-cola with sequence length 128), the ratio is up to 89%. Existing methods to address the resulting inefficiency are complicated by the need to avoid cross-contamination in self-attention, by a reduction in accuracy when sequence ordering information is lost, or by customized kernel implementations only valid for specific accelerators. This paper introduces a new formalization of sequence packing in the context of the well-studied bin packing problem, and presents new algorithms based on this formulation which, for example, confer a 2x speedup for phase 2 pre-training in BERT. We show how existing models can be adapted to ensure mathematical equivalence between the original and packed models, meaning that packed models can be trained with existing pre-training and fine-tuning practices.

The ability of an architecture to realize permutations is quite fundamental. For example, Large Language Models need to be able to correctly copy (and perhaps rearrange) parts of the input prompt into the output. Classical universal approximation theorems guarantee the existence of parameter configurations that solve this task but offer no insights into whether gradient-based algorithms can find them. In this paper, we address this gap by focusing on two-layer fully connected feed-forward neural networks and the task of learning permutations on nonzero binary inputs. We show that in the infinite width Neural Tangent Kernel (NTK) regime, an ensemble of such networks independently trained with gradient descent on only the k standard basis vectors out of 2^k - 1 possible inputs successfully learns any fixed permutation of length k with arbitrarily high probability. By analyzing the exact training dynamics, we prove that the network's output converges to a Gaussian process whose mean captures the ground truth permutation via sign-based features. We then demonstrate how averaging these runs (an "ensemble" method) and applying a simple rounding step yields an arbitrarily accurate prediction on any possible input unseen during training. Notably, the number of models needed to achieve exact learning with high probability (which we refer to as ensemble complexity) exhibits a linearithmic dependence on the input size k for a single test input and a quadratic dependence when considering all test inputs simultaneously.

The ability to describe images with natural language sentences is the hallmark for image and language understanding. Such a system has wide ranging applications such as annotating images and using natural sentences to search for images.In this project we focus on the task of bidirectional image retrieval: such asystem is capable of retrieving an image based on a sentence (image search) andretrieve sentence based on an image query (image annotation). We present asystem based on a global ranking objective function which uses a combinationof convolutional neural networks (CNN) and multi layer perceptrons (MLP).It takes a pair of image and sentence and processes them in different channels,finally embedding it into a common multimodal vector space. These embeddingsencode abstract semantic information about the two inputs and can be comparedusing traditional information retrieval approaches. For each such pair, the modelreturns a score which is interpretted as a similarity metric. If this score is high,the image and sentence are likely to convey similar meaning, and if the score is low then they are likely not to. The visual input is modeled via deep convolutional neural network. On theother hand we explore three models for the textual module. The first one isbag of words with an MLP. The second one uses n-grams (bigram, trigrams,and a combination of trigram & skip-grams) with an MLP. The third is morespecialized deep network specific for modeling variable length sequences (SSE).We report comparable performance to recent work in the field, even though ouroverall model is simpler. We also show that the training time choice of how wecan generate our negative samples has a significant impact on performance, and can be used to specialize the bi-directional system in one particular task.

We define and investigate the problem of c-approximate window search: approximate nearest neighbor search where each point in the dataset has a numeric label, and the goal is to find nearest neighbors to queries within arbitrary label ranges. Many semantic search problems, such as image and document search with timestamp filters, or product search with cost filters, are natural examples of this problem. We propose and theoretically analyze a modular tree-based framework for transforming an index that solves the traditional c-approximate nearest neighbor problem into a data structure that solves window search. On standard nearest neighbor benchmark datasets equipped with random label values, adversarially constructed embeddings, and image search embeddings with real timestamps, we obtain up to a 75times speedup over existing solutions at the same level of recall.

Pretrained large language models (LLMs) exhibit exceptional general language processing capabilities but come with significant demands on memory and computational resources. As a powerful compression technology, binarization can extremely reduce model weights to a mere 1 bit, lowering the expensive computation and memory requirements. However, existing quantization techniques fall short of maintaining LLM performance under ultra-low bit-widths. In response to this challenge, we present BiLLM, a groundbreaking 1-bit post-training quantization scheme tailored for pretrained LLMs. Based on the weight distribution of LLMs, BiLLM first identifies and structurally selects salient weights, and minimizes the compression loss through an effective binary residual approximation strategy. Moreover, considering the bell-shaped distribution of the non-salient weights, we propose an optimal splitting search to group and binarize them accurately. BiLLM achieving for the first time high-accuracy inference (e.g. 8.41 perplexity on LLaMA2-70B) with only 1.08-bit weights across various LLMs families and evaluation metrics, outperforms SOTA quantization methods of LLM by significant margins. Moreover, BiLLM enables the binarization process of the LLM with 7 billion weights within 0.5 hours on a single GPU, demonstrating satisfactory time efficiency.

BEIR is a benchmark dataset for zero-shot evaluation of information retrieval models across 18 different domain/task combinations. In recent years, we have witnessed the growing popularity of a representation learning approach to building retrieval models, typically using pretrained transformers in a supervised setting. This naturally begs the question: How effective are these models when presented with queries and documents that differ from the training data? Examples include searching in different domains (e.g., medical or legal text) and with different types of queries (e.g., keywords vs. well-formed questions). While BEIR was designed to answer these questions, our work addresses two shortcomings that prevent the benchmark from achieving its full potential: First, the sophistication of modern neural methods and the complexity of current software infrastructure create barriers to entry for newcomers. To this end, we provide reproducible reference implementations that cover the two main classes of approaches: learned dense and sparse models. Second, there does not exist a single authoritative nexus for reporting the effectiveness of different models on BEIR, which has led to difficulty in comparing different methods. To remedy this, we present an official self-service BEIR leaderboard that provides fair and consistent comparisons of retrieval models. By addressing both shortcomings, our work facilitates future explorations in a range of interesting research questions that BEIR enables.

Efficiently ranking relevant items from large candidate pools is a cornerstone of modern information retrieval systems -- such as web search, recommendation, and retrieval-augmented generation. Listwise rerankers, which improve relevance by jointly considering multiple candidates, are often limited in practice: either by model input size constraints, or by degraded quality when processing large sets. We propose a model-agnostic method for fast reranking large sets that exceed a model input limits. The method first partitions candidate items into overlapping blocks, each of which is ranked independently in parallel. Implicit pairwise comparisons are then derived from these local rankings. Finally, these comparisons are aggregated to construct a global ranking using algorithms such as Winrate or PageRank. Experiments on TREC DL-2019 show that our method achieves an nDCG@10 of 70.88 compared to the 57.68 for full-context listwise approach using gpt-4.1-mini as long-context model, while reducing latency from 21 to 8 seconds. The implementation of the algorithm and the experiments is available in the repository: https://github.com/V3RGANz/jointrank

The first competition on the binarization of historical Persian documents and manuscripts (PHIBC 2012) has been organized in conjunction with the first Iranian conference on pattern recognition and image analysis (PRIA 2013). The main objective of PHIBC 2012 is to evaluate performance of the binarization methodologies, when applied on the Persian heritage images. This paper provides a report on the methodology and performance of the three submitted algorithms based on evaluation measures has been used.

In this work we take a Category Theoretic perspective on the relationship between probabilistic modeling and function approximation. We begin by defining two extensions of function composition to stochastic process subordination: one based on the co-Kleisli category under the comonad (Omega x -) and one based on the parameterization of a category with a Lawvere theory. We show how these extensions relate to the category Stoch and other Markov Categories. Next, we apply the Para construction to extend stochastic processes to parameterized statistical models and we define a way to compose the likelihood functions of these models. We conclude with a demonstration of how the Maximum Likelihood Estimation procedure defines an identity-on-objects functor from the category of statistical models to the category of Learners. Code to accompany this paper can be found at https://github.com/dshieble/Categorical_Stochastic_Processes_and_Likelihood

We provide the largest compiled publicly available dictionaries of first, middle, and last names for the purpose of imputing race and ethnicity using, for example, Bayesian Improved Surname Geocoding (BISG). The dictionaries are based on the voter files of six Southern states that collect self-reported racial data upon voter registration. Our data cover a much larger scope of names than any comparable dataset, containing roughly one million first names, 1.1 million middle names, and 1.4 million surnames. Individuals are categorized into five mutually exclusive racial and ethnic groups -- White, Black, Hispanic, Asian, and Other -- and racial/ethnic counts by name are provided for every name in each dictionary. Counts can then be normalized row-wise or column-wise to obtain conditional probabilities of race given name or name given race. These conditional probabilities can then be deployed for imputation in a data analytic task for which ground truth racial and ethnic data is not available.

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.

Pairwise clustering, in general, partitions a set of items via a known similarity function. In our treatment, clustering is modeled as a transductive prediction problem. Thus rather than beginning with a known similarity function, the function instead is hidden and the learner only receives a random sample consisting of a subset of the pairwise similarities. An additional set of pairwise side-information may be given to the learner, which then determines the inductive bias of our algorithms. We measure performance not based on the recovery of the hidden similarity function, but instead on how well we classify each item. We give tight bounds on the number of misclassifications. We provide two algorithms. The first algorithm SACA is a simple agglomerative clustering algorithm which runs in near linear time, and which serves as a baseline for our analyses. Whereas the second algorithm, RGCA, enables the incorporation of side-information which may lead to improved bounds at the cost of a longer running time.

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

The field of Automatic Machine Learning (AutoML) has recently attained impressive results, including the discovery of state-of-the-art machine learning solutions, such as neural image classifiers. This is often done by applying an evolutionary search method, which samples multiple candidate solutions from a large space and evaluates the quality of each candidate through a long training process. As a result, the search tends to be slow. In this paper, we show that large efficiency gains can be obtained by employing a fast unified functional hash, especially through the functional equivalence caching technique, which we also present. The central idea is to detect by hashing when the search method produces equivalent candidates, which occurs very frequently, and this way avoid their costly re-evaluation. Our hash is "functional" in that it identifies equivalent candidates even if they were represented or coded differently, and it is "unified" in that the same algorithm can hash arbitrary representations; e.g. compute graphs, imperative code, or lambda functions. As evidence, we show dramatic improvements on multiple AutoML domains, including neural architecture search and algorithm discovery. Finally, we consider the effect of hash collisions, evaluation noise, and search distribution through empirical analysis. Altogether, we hope this paper may serve as a guide to hashing techniques in AutoML.

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.

Finding the mode of a high dimensional probability distribution D is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when D is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy (1-epsilon) for any epsilon > 0. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless P = NP. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.

Reverse engineering binaries is required to understand and analyse programs for which the source code is unavailable. Decompilers can transform the largely unreadable binaries into a more readable source code-like representation. However, reverse engineering is time-consuming, much of which is taken up by labelling the functions with semantic information. While the automated summarisation of decompiled code can help Reverse Engineers understand and analyse binaries, current work mainly focuses on summarising source code, and no suitable dataset exists for this task. In this work, we extend large pre-trained language models of source code to summarise decompiled binary functions. Furthermore, we investigate the impact of input and data properties on the performance of such models. Our approach consists of two main components; the data and the model. We first build CAPYBARA, a dataset of 214K decompiled function-documentation pairs across various compiler optimisations. We extend CAPYBARA further by generating synthetic datasets and deduplicating the data. Next, we fine-tune the CodeT5 base model with CAPYBARA to create BinT5. BinT5 achieves the state-of-the-art BLEU-4 score of 60.83, 58.82, and 44.21 for summarising source, decompiled, and synthetically stripped decompiled code, respectively. This indicates that these models can be extended to decompiled binaries successfully. Finally, we found that the performance of BinT5 is not heavily dependent on the dataset size and compiler optimisation level. We recommend future research to further investigate transferring knowledge when working with less expressive input formats such as stripped binaries.

Training large language models with data collected from various domains can improve their performance on downstream tasks. However, given a fixed training budget, the sampling proportions of these different domains significantly impact the model's performance. How can we determine the domain weights across different data domains to train the best-performing model within constrained computational resources? In this paper, we provide a comprehensive overview of existing data mixture methods. First, we propose a fine-grained categorization of existing methods, extending beyond the previous offline and online classification. Offline methods are further grouped into heuristic-based, algorithm-based, and function fitting-based methods. For online methods, we categorize them into three groups: online min-max optimization, online mixing law, and other approaches by drawing connections with the optimization frameworks underlying offline methods. Second, we summarize the problem formulations, representative algorithms for each subtype of offline and online methods, and clarify the relationships and distinctions among them. Finally, we discuss the advantages and disadvantages of each method and highlight key challenges in the field of data mixture.

Transformer is a transformative framework that models sequential data and has achieved remarkable performance on a wide range of tasks, but with high computational and energy cost. To improve its efficiency, a popular choice is to compress the models via binarization which constrains the floating-point values into binary ones to save resource consumption owing to cheap bitwise operations significantly. However, existing binarization methods only aim at minimizing the information loss for the input distribution statistically, while ignoring the pairwise similarity modeling at the core of the attention. To this end, we propose a new binarization paradigm customized to high-dimensional softmax attention via kernelized hashing, called EcoFormer, to map the original queries and keys into low-dimensional binary codes in Hamming space. The kernelized hash functions are learned to match the ground-truth similarity relations extracted from the attention map in a self-supervised way. Based on the equivalence between the inner product of binary codes and the Hamming distance as well as the associative property of matrix multiplication, we can approximate the attention in linear complexity by expressing it as a dot-product of binary codes. Moreover, the compact binary representations of queries and keys enable us to replace most of the expensive multiply-accumulate operations in attention with simple accumulations to save considerable on-chip energy footprint on edge devices. Extensive experiments on both vision and language tasks show that EcoFormer consistently achieves comparable performance with standard attentions while consuming much fewer resources. For example, based on PVTv2-B0 and ImageNet-1K, Ecoformer achieves a 73% on-chip energy footprint reduction with only a 0.33% performance drop compared to the standard attention. Code is available at https://github.com/ziplab/EcoFormer.

Data quality and diversity are key to the construction of effective instruction-tuning datasets. % With the increasing availability of open-source instruction-tuning datasets, it is advantageous to automatically select high-quality and diverse subsets from a vast amount of data. % Existing methods typically prioritize instance quality and use heuristic rules to maintain diversity. % However, this absence of a comprehensive view of the entire collection often leads to suboptimal results. % Moreover, heuristic rules generally focus on distance or clustering within the embedding space, which fails to accurately capture the intent of complex instructions in the semantic space. % To bridge this gap, we propose a unified method for quantifying the information content of datasets. This method models the semantic space by constructing a label graph and quantifies diversity based on the distribution of information within the graph. % Based on such a measurement, we further introduce an efficient sampling method that selects data samples iteratively to Maximize the Information Gain (MIG) in semantic space. % Experiments on various datasets and base models demonstrate that MIG consistently outperforms state-of-the-art methods. % Notably, the model fine-tuned with 5\% Tulu3 data sampled by MIG achieves comparable performance to the official SFT model trained on the full dataset, with improvements of +5.73\% on AlpacaEval and +6.89\% on Wildbench.

This work delved into the realm of automatic text generation, exploring a variety of techniques ranging from traditional deterministic approaches to more modern stochastic methods. Through analysis of greedy search, beam search, top-k sampling, top-p sampling, contrastive searching, and locally typical searching, this work has provided valuable insights into the strengths, weaknesses, and potential applications of each method. Each text-generating method is evaluated using several standard metrics and a comparative study has been made on the performance of the approaches. Finally, some future directions of research in the field of automatic text generation are also identified.

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

Document Image Binarization is a well-known problem in Document Analysis and Computer Vision, although it is far from being solved. One of the main challenges of this task is that documents generally exhibit degradations and acquisition artifacts that can greatly vary throughout the page. Nonetheless, even when dealing with a local patch of the document, taking into account the overall appearance of a wide portion of the page can ease the prediction by enriching it with semantic information on the ink and background conditions. In this respect, approaches able to model both local and global information have been proven suitable for this task. In particular, recent applications of Vision Transformer (ViT)-based models, able to model short and long-range dependencies via the attention mechanism, have demonstrated their superiority over standard Convolution-based models, which instead struggle to model global dependencies. In this work, we propose an alternative solution based on the recently introduced Fast Fourier Convolutions, which overcomes the limitation of standard convolutions in modeling global information while requiring fewer parameters than ViTs. We validate the effectiveness of our approach via extensive experimental analysis considering different types of degradations.

The k-means++ seeding algorithm (Arthur & Vassilvitskii, 2007) is widely used in practice for the k-means clustering problem where the goal is to cluster a dataset X subset R ^d into k clusters. The popularity of this algorithm is due to its simplicity and provable guarantee of being O(log k) competitive with the optimal solution in expectation. However, its running time is O(|X|kd), making it expensive for large datasets. In this work, we present a simple and effective rejection sampling based approach for speeding up k-means++. Our first method runs in time O(nnz (X) + beta k^2d) while still being O(log k ) competitive in expectation. Here, beta is a parameter which is the ratio of the variance of the dataset to the optimal k-means cost in expectation and O hides logarithmic factors in k and |X|. Our second method presents a new trade-off between computational cost and solution quality. It incurs an additional scale-invariant factor of k^{-Omega( m/beta)} Var (X) in addition to the O(log k) guarantee of k-means++ improving upon a result of (Bachem et al, 2016a) who get an additional factor of m^{-1}Var(X) while still running in time O(nnz(X) + mk^2d). We perform extensive empirical evaluations to validate our theoretical results and to show the effectiveness of our approach on real datasets.

Scholars studying organizations often work with multiple datasets lacking shared unique identifiers or covariates. In such situations, researchers may turn to approximate string matching methods to combine datasets. String matching, although useful, faces fundamental challenges. Even when two strings appear similar to humans, fuzzy matching often does not work because it fails to adapt to the informativeness of the character combinations presented. Worse, many entities have multiple names that are dissimilar (e.g., "Fannie Mae" and "Federal National Mortgage Association"), a case where string matching has little hope of succeeding. This paper introduces data from a prominent employment-related networking site (LinkedIn) as a tool to address these problems. We propose interconnected approaches to leveraging the massive amount of information from LinkedIn regarding organizational name-to-name links. The first approach builds a machine learning model for predicting matches from character strings, treating the trillions of user-contributed organizational name pairs as a training corpus: this approach constructs a string matching metric that explicitly maximizes match probabilities. A second approach identifies relationships between organization names using network representations of the LinkedIn data. A third approach combines the first and second. We document substantial improvements over fuzzy matching in applications, making all methods accessible in open-source software ("LinkOrgs").

We propose two efficient approximations to standard convolutional neural networks: Binary-Weight-Networks and XNOR-Networks. In Binary-Weight-Networks, the filters are approximated with binary values resulting in 32x memory saving. In XNOR-Networks, both the filters and the input to convolutional layers are binary. XNOR-Networks approximate convolutions using primarily binary operations. This results in 58x faster convolutional operations and 32x memory savings. XNOR-Nets offer the possibility of running state-of-the-art networks on CPUs (rather than GPUs) in real-time. Our binary networks are simple, accurate, efficient, and work on challenging visual tasks. We evaluate our approach on the ImageNet classification task. The classification accuracy with a Binary-Weight-Network version of AlexNet is only 2.9% less than the full-precision AlexNet (in top-1 measure). We compare our method with recent network binarization methods, BinaryConnect and BinaryNets, and outperform these methods by large margins on ImageNet, more than 16% in top-1 accuracy.

Learned sparse retrieval systems aim to combine the effectiveness of contextualized language models with the scalability of conventional data structures such as inverted indexes. Nevertheless, the indexes generated by these systems exhibit significant deviations from the ones that use traditional retrieval models, leading to a discrepancy in the performance of existing query optimizations that were specifically developed for traditional structures. These disparities arise from structural variations in query and document statistics, including sub-word tokenization, leading to longer queries, smaller vocabularies, and different score distributions within posting lists. This paper introduces Block-Max Pruning (BMP), an innovative dynamic pruning strategy tailored for indexes arising in learned sparse retrieval environments. BMP employs a block filtering mechanism to divide the document space into small, consecutive document ranges, which are then aggregated and sorted on the fly, and fully processed only as necessary, guided by a defined safe early termination criterion or based on approximate retrieval requirements. Through rigorous experimentation, we show that BMP substantially outperforms existing dynamic pruning strategies, offering unparalleled efficiency in safe retrieval contexts and improved tradeoffs between precision and efficiency in approximate retrieval tasks.

While generative modeling has become prevalent across numerous research fields, its integration into the realm of image retrieval remains largely unexplored and underjustified. In this paper, we present a novel methodology, reframing image retrieval as a variant of generative modeling and employing a sequence-to-sequence model. This approach is harmoniously aligned with the current trend towards unification in research, presenting a cohesive framework that allows for end-to-end differentiable searching. This, in turn, facilitates superior performance via direct optimization techniques. The development of our model, dubbed IRGen, addresses the critical technical challenge of converting an image into a concise sequence of semantic units, which is pivotal for enabling efficient and effective search. Extensive experiments demonstrate that our model achieves state-of-the-art performance on three widely-used image retrieval benchmarks as well as two million-scale datasets, yielding significant improvement compared to prior competitive retrieval methods. In addition, the notable surge in precision scores facilitated by generative modeling presents the potential to bypass the reranking phase, which is traditionally indispensable in practical retrieval workflows.

In this paper we address issues with image retrieval benchmarking on standard and popular Oxford 5k and Paris 6k datasets. In particular, annotation errors, the size of the dataset, and the level of challenge are addressed: new annotation for both datasets is created with an extra attention to the reliability of the ground truth. Three new protocols of varying difficulty are introduced. The protocols allow fair comparison between different methods, including those using a dataset pre-processing stage. For each dataset, 15 new challenging queries are introduced. Finally, a new set of 1M hard, semi-automatically cleaned distractors is selected. An extensive comparison of the state-of-the-art methods is performed on the new benchmark. Different types of methods are evaluated, ranging from local-feature-based to modern CNN based methods. The best results are achieved by taking the best of the two worlds. Most importantly, image retrieval appears far from being solved.

Learning from Label Proportions (LLP) is a learning problem where only aggregate level labels are available for groups of instances, called bags, during training, and the aim is to get the best performance at the instance-level on the test data. This setting arises in domains like advertising and medicine due to privacy considerations. We propose a novel algorithmic framework for this problem that iteratively performs two main steps. For the first step (Pseudo Labeling) in every iteration, we define a Gibbs distribution over binary instance labels that incorporates a) covariate information through the constraint that instances with similar covariates should have similar labels and b) the bag level aggregated label. We then use Belief Propagation (BP) to marginalize the Gibbs distribution to obtain pseudo labels. In the second step (Embedding Refinement), we use the pseudo labels to provide supervision for a learner that yields a better embedding. Further, we iterate on the two steps again by using the second step's embeddings as new covariates for the next iteration. In the final iteration, a classifier is trained using the pseudo labels. Our algorithm displays strong gains against several SOTA baselines (up to 15%) for the LLP Binary Classification problem on various dataset types - tabular and Image. We achieve these improvements with minimal computational overhead above standard supervised learning due to Belief Propagation, for large bag sizes, even for a million samples.

Sampling proper negatives from a large document pool is vital to effectively train a dense retrieval model. However, existing negative sampling strategies suffer from the uninformative or false negative problem. In this work, we empirically show that according to the measured relevance scores, the negatives ranked around the positives are generally more informative and less likely to be false negatives. Intuitively, these negatives are not too hard (may be false negatives) or too easy (uninformative). They are the ambiguous negatives and need more attention during training. Thus, we propose a simple ambiguous negatives sampling method, SimANS, which incorporates a new sampling probability distribution to sample more ambiguous negatives. Extensive experiments on four public and one industry datasets show the effectiveness of our approach. We made the code and models publicly available in https://github.com/microsoft/SimXNS.

We present Mr. TyDi, a multi-lingual benchmark dataset for mono-lingual retrieval in eleven typologically diverse languages, designed to evaluate ranking with learned dense representations. The goal of this resource is to spur research in dense retrieval techniques in non-English languages, motivated by recent observations that existing techniques for representation learning perform poorly when applied to out-of-distribution data. As a starting point, we provide zero-shot baselines for this new dataset based on a multi-lingual adaptation of DPR that we call "mDPR". Experiments show that although the effectiveness of mDPR is much lower than BM25, dense representations nevertheless appear to provide valuable relevance signals, improving BM25 results in sparse-dense hybrids. In addition to analyses of our results, we also discuss future challenges and present a research agenda in multi-lingual dense retrieval. Mr. TyDi can be downloaded at https://github.com/castorini/mr.tydi.

Many evaluation metrics can be used to assess the performance of models in binary classification tasks. However, most of them are derived from a confusion matrix in a non-differentiable form, making it very difficult to generate a differentiable loss function that could directly optimize them. The lack of solutions to bridge this challenge not only hinders our ability to solve difficult tasks, such as imbalanced learning, but also requires the deployment of computationally expensive hyperparameter search processes in model selection. In this paper, we propose a general-purpose approach that transforms any confusion matrix-based metric into a loss function, AnyLoss, that is available in optimization processes. To this end, we use an approximation function to make a confusion matrix represented in a differentiable form, and this approach enables any confusion matrix-based metric to be directly used as a loss function. The mechanism of the approximation function is provided to ensure its operability and the differentiability of our loss functions is proved by suggesting their derivatives. We conduct extensive experiments under diverse neural networks with many datasets, and we demonstrate their general availability to target any confusion matrix-based metrics. Our method, especially, shows outstanding achievements in dealing with imbalanced datasets, and its competitive learning speed, compared to multiple baseline models, underscores its efficiency.

We propose a goodness-of-fit measure for probability densities modeling observations with varying dimensionality, such as text documents of differing lengths or variable-length sequences. The proposed measure is an instance of the kernel Stein discrepancy (KSD), which has been used to construct goodness-of-fit tests for unnormalized densities. The KSD is defined by its Stein operator: current operators used in testing apply to fixed-dimensional spaces. As our main contribution, we extend the KSD to the variable-dimension setting by identifying appropriate Stein operators, and propose a novel KSD goodness-of-fit test. As with the previous variants, the proposed KSD does not require the density to be normalized, allowing the evaluation of a large class of models. Our test is shown to perform well in practice on discrete sequential data benchmarks.

The progress of composed image retrieval (CIR), a popular research direction in image retrieval, where a combined visual and textual query is used, is held back by the absence of high-quality training and evaluation data. We introduce a new evaluation dataset, i-CIR, which, unlike existing datasets, focuses on an instance-level class definition. The goal is to retrieve images that contain the same particular object as the visual query, presented under a variety of modifications defined by textual queries. Its design and curation process keep the dataset compact to facilitate future research, while maintaining its challenge-comparable to retrieval among more than 40M random distractors-through a semi-automated selection of hard negatives. To overcome the challenge of obtaining clean, diverse, and suitable training data, we leverage pre-trained vision-and-language models (VLMs) in a training-free approach called BASIC. The method separately estimates query-image-to-image and query-text-to-image similarities, performing late fusion to upweight images that satisfy both queries, while down-weighting those that exhibit high similarity with only one of the two. Each individual similarity is further improved by a set of components that are simple and intuitive. BASIC sets a new state of the art on i-CIR but also on existing CIR datasets that follow a semantic-level class definition. Project page: https://vrg.fel.cvut.cz/icir/.

Semantic word embeddings represent the meaning of a word via a vector, and are created by diverse methods. Many use nonlinear operations on co-occurrence statistics, and have hand-tuned hyperparameters and reweighting methods. This paper proposes a new generative model, a dynamic version of the log-linear topic model of~mnih2007three. The methodological novelty is to use the prior to compute closed form expressions for word statistics. This provides a theoretical justification for nonlinear models like PMI, word2vec, and GloVe, as well as some hyperparameter choices. It also helps explain why low-dimensional semantic embeddings contain linear algebraic structure that allows solution of word analogies, as shown by~mikolov2013efficient and many subsequent papers. Experimental support is provided for the generative model assumptions, the most important of which is that latent word vectors are fairly uniformly dispersed in space.

The word embedding space in neural models is skewed, and correcting this can improve task performance. We point out that most approaches for modeling, correcting, and measuring the symmetry of an embedding space implicitly assume that the word frequencies are uniform; in reality, word frequencies follow a highly non-uniform distribution, known as Zipf's law. Surprisingly, simply performing PCA whitening weighted by the empirical word frequency that follows Zipf's law significantly improves task performance, surpassing established baselines. From a theoretical perspective, both our approach and existing methods can be clearly categorized: word representations are distributed according to an exponential family with either uniform or Zipfian base measures. By adopting the latter approach, we can naturally emphasize informative low-frequency words in terms of their vector norm, which becomes evident from the information-geometric perspective, and in terms of the loss functions for imbalanced classification. Additionally, our theory corroborates that popular natural language processing methods, such as skip-gram negative sampling, WhiteningBERT, and headless language models, work well just because their word embeddings encode the empirical word frequency into the underlying probabilistic model.

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.

The in-memory algorithms for approximate nearest neighbor search (ANNS) have achieved great success for fast high-recall search, but are extremely expensive when handling very large scale database. Thus, there is an increasing request for the hybrid ANNS solutions with small memory and inexpensive solid-state drive (SSD). In this paper, we present a simple but efficient memory-disk hybrid indexing and search system, named SPANN, that follows the inverted index methodology. It stores the centroid points of the posting lists in the memory and the large posting lists in the disk. We guarantee both disk-access efficiency (low latency) and high recall by effectively reducing the disk-access number and retrieving high-quality posting lists. In the index-building stage, we adopt a hierarchical balanced clustering algorithm to balance the length of posting lists and augment the posting list by adding the points in the closure of the corresponding clusters. In the search stage, we use a query-aware scheme to dynamically prune the access of unnecessary posting lists. Experiment results demonstrate that SPANN is 2times faster than the state-of-the-art ANNS solution DiskANN to reach the same recall quality 90% with same memory cost in three billion-scale datasets. It can reach 90% recall@1 and recall@10 in just around one millisecond with only 32GB memory cost. Code is available at: {\footnotesizeblue{https://github.com/microsoft/SPTAG}}.

This paper demonstrates how the limitations of pre-trained models and open evaluation datasets factor into assessing the performance of binary semantic similarity classification tasks. As (1) end-user-facing documentation around the curation of these datasets and pre-trained model training regimes is often not easily accessible and (2) given the lower friction and higher demand to quickly deploy such systems in real-world contexts, our study reinforces prior work showing performance disparities across datasets, embedding techniques and distance metrics, while highlighting the importance of understanding how data is collected, curated and analyzed in semantic similarity classification.

Unsupervised parsing, also known as grammar induction, aims to infer syntactic structure from raw text. Recently, binary representation has exhibited remarkable information-preserving capabilities at both lexicon and syntax levels. In this paper, we explore the possibility of leveraging this capability to deduce parsing trees from raw text, relying solely on the implicitly induced grammars within models. To achieve this, we upgrade the bit-level CKY from zero-order to first-order to encode the lexicon and syntax in a unified binary representation space, switch training from supervised to unsupervised under the contrastive hashing framework, and introduce a novel loss function to impose stronger yet balanced alignment signals. Our model shows competitive performance on various datasets, therefore, we claim that our method is effective and efficient enough to acquire high-quality parsing trees from pre-trained language models at a low cost.

Multi-document summarization (MDS) is a difficult task in Natural Language Processing, aiming to summarize information from several documents. However, the source documents are often insufficient to obtain a qualitative summary. We propose a retriever-guided model combined with non-parametric memory for summary generation. This model retrieves relevant candidates from a database and then generates the summary considering the candidates with a copy mechanism and the source documents. The retriever is implemented with Approximate Nearest Neighbor Search (ANN) to search large databases. Our method is evaluated on the MultiXScience dataset which includes scientific articles. Finally, we discuss our results and possible directions for future work.

Hyperbolic embeddings offer excellent quality with few dimensions when embedding hierarchical data structures like synonym or type hierarchies. Given a tree, we give a combinatorial construction that embeds the tree in hyperbolic space with arbitrarily low distortion without using optimization. On WordNet, our combinatorial embedding obtains a mean-average-precision of 0.989 with only two dimensions, while Nickel et al.'s recent construction obtains 0.87 using 200 dimensions. We provide upper and lower bounds that allow us to characterize the precision-dimensionality tradeoff inherent in any hyperbolic embedding. To embed general metric spaces, we propose a hyperbolic generalization of multidimensional scaling (h-MDS). We show how to perform exact recovery of hyperbolic points from distances, provide a perturbation analysis, and give a recovery result that allows us to reduce dimensionality. The h-MDS approach offers consistently low distortion even with few dimensions across several datasets. Finally, we extract lessons from the algorithms and theory above to design a PyTorch-based implementation that can handle incomplete information and is scalable.

This paper investigates data-driven segmentation using Re-Pair or Byte Pair Encoding-techniques. In contrast to previous work which has primarily been focused on subword units for machine translation, we are interested in the general properties of such segments above the word level. We call these segments r-grams, and discuss their properties and the effect they have on the token frequency distribution. The proposed approach is evaluated by demonstrating its viability in embedding techniques, both in monolingual and multilingual test settings. We also provide a number of qualitative examples of the proposed methodology, demonstrating its viability as a language-invariant segmentation procedure.

Recent work on mini-batch consistency (MBC) for set functions has brought attention to the need for sequentially processing and aggregating chunks of a partitioned set while guaranteeing the same output for all partitions. However, existing constraints on MBC architectures lead to models with limited expressive power. Additionally, prior work has not addressed how to deal with large sets during training when the full set gradient is required. To address these issues, we propose a Universally MBC (UMBC) class of set functions which can be used in conjunction with arbitrary non-MBC components while still satisfying MBC, enabling a wider range of function classes to be used in MBC settings. Furthermore, we propose an efficient MBC training algorithm which gives an unbiased approximation of the full set gradient and has a constant memory overhead for any set size for both train- and test-time. We conduct extensive experiments including image completion, text classification, unsupervised clustering, and cancer detection on high-resolution images to verify the efficiency and efficacy of our scalable set encoding framework. Our code is available at github.com/jeffwillette/umbc

With increasing demands for efficiency, information retrieval has developed a branch of sparse retrieval, further advancing towards inference-free retrieval where the documents are encoded during indexing time and there is no model-inference for queries. Existing sparse retrieval models rely on FLOPS regularization for sparsification, while this mechanism was originally designed for Siamese encoders, it is considered to be suboptimal in inference-free scenarios which is asymmetric. Previous attempts to adapt FLOPS for inference-free scenarios have been limited to rule-based methods, leaving the potential of sparsification approaches for inference-free retrieval models largely unexplored. In this paper, we explore ell_0 inspired sparsification manner for inference-free retrievers. Through comprehensive out-of-domain evaluation on the BEIR benchmark, our method achieves state-of-the-art performance among inference-free sparse retrieval models and is comparable to leading Siamese sparse retrieval models. Furthermore, we provide insights into the trade-off between retrieval effectiveness and computational efficiency, demonstrating practical value for real-world applications.

Advances in embedding models for text, image, audio, and video drive progress across multiple domains, including retrieval-augmented generation, recommendation systems, vehicle/person reidentification, and face recognition. Many applications in these domains require an efficient method to retrieve items that are close to a given query in the embedding space while satisfying a filter condition based on the item's attributes, a problem known as Filtered Approximate Nearest Neighbor Search (FANNS). In this work, we present a comprehensive survey and taxonomy of FANNS methods and analyze how they are benchmarked in the literature. By doing so, we identify a key challenge in the current FANNS landscape: the lack of diverse and realistic datasets, particularly ones derived from the latest transformer-based text embedding models. To address this, we introduce a novel dataset consisting of embedding vectors for the abstracts of over 2.7 million research articles from the arXiv repository, accompanied by 11 real-world attributes such as authors and categories. We benchmark a wide range of FANNS methods on our novel dataset and find that each method has distinct strengths and limitations; no single approach performs best across all scenarios. ACORN, for example, supports various filter types and performs reliably across dataset scales but is often outperformed by more specialized methods. SeRF shows excellent performance for range filtering on ordered attributes but cannot handle categorical attributes. Filtered-DiskANN and UNG excel on the medium-scale dataset but fail on the large-scale dataset, highlighting the challenge posed by transformer-based embeddings, which are often more than an order of magnitude larger than earlier embeddings. We conclude that no universally best method exists.

We present an accelerated algorithm for hierarchical density based clustering. Our new algorithm improves upon HDBSCAN*, which itself provided a significant qualitative improvement over the popular DBSCAN algorithm. The accelerated HDBSCAN* algorithm provides comparable performance to DBSCAN, while supporting variable density clusters, and eliminating the need for the difficult to tune distance scale parameter. This makes accelerated HDBSCAN* the default choice for density based clustering. Library available at: https://github.com/scikit-learn-contrib/hdbscan

Retrieval-based language models (R-LM) model the probability of natural language text by combining a standard language model (LM) with examples retrieved from an external datastore at test time. While effective, a major bottleneck of using these models in practice is the computationally costly datastore search, which can be performed as frequently as every time step. In this paper, we present RetoMaton - retrieval automaton - which approximates the datastore search, based on (1) saving pointers between consecutive datastore entries, and (2) clustering of entries into "states". This effectively results in a weighted finite automaton built on top of the datastore, instead of representing the datastore as a flat list. The creation of the automaton is unsupervised, and a RetoMaton can be constructed from any text collection: either the original training corpus or from another domain. Traversing this automaton at inference time, in parallel to the LM inference, reduces its perplexity by up to 1.85, or alternatively saves up to 83% of the nearest neighbor searches over kNN-LM (Khandelwal et al., 2020) without hurting perplexity. Our code and trained models are available at https://github.com/neulab/retomaton .

Compatible features enable the direct comparison of old and new learned features allowing to use them interchangeably over time. In visual search systems, this eliminates the need to extract new features from the gallery-set when the representation model is upgraded with novel data. This has a big value in real applications as re-indexing the gallery-set can be computationally expensive when the gallery-set is large, or even infeasible due to privacy or other concerns of the application. In this paper, we propose CoReS, a new training procedure to learn representations that are compatible with those previously learned, grounding on the stationarity of the features as provided by fixed classifiers based on polytopes. With this solution, classes are maximally separated in the representation space and maintain their spatial configuration stationary as new classes are added, so that there is no need to learn any mappings between representations nor to impose pairwise training with the previously learned model. We demonstrate that our training procedure largely outperforms the current state of the art and is particularly effective in the case of multiple upgrades of the training-set, which is the typical case in real applications.

Clustering non-Euclidean data is difficult, and one of the most used algorithms besides hierarchical clustering is the popular algorithm Partitioning Around Medoids (PAM), also simply referred to as k-medoids clustering. In Euclidean geometry the mean-as used in k-means-is a good estimator for the cluster center, but this does not exist for arbitrary dissimilarities. PAM uses the medoid instead, the object with the smallest dissimilarity to all others in the cluster. This notion of centrality can be used with any (dis-)similarity, and thus is of high relevance to many domains and applications. A key issue with PAM is its high run time cost. We propose modifications to the PAM algorithm that achieve an O(k)-fold speedup in the second ("SWAP") phase of the algorithm, but will still find the same results as the original PAM algorithm. If we relax the choice of swaps performed (while retaining comparable quality), we can further accelerate the algorithm by eagerly performing additional swaps in each iteration. With the substantially faster SWAP, we can now explore faster initialization strategies, because (i) the classic ("BUILD") initialization now becomes the bottleneck, and (ii) our swap is fast enough to compensate for worse starting conditions. We also show how the CLARA and CLARANS algorithms benefit from the proposed modifications. While we do not study the parallelization of our approach in this work, it can easily be combined with earlier approaches to use PAM and CLARA on big data (some of which use PAM as a subroutine, hence can immediately benefit from these improvements), where the performance with high k becomes increasingly important. In experiments on real data with k=100,200, we observed a 458x respectively 1191x speedup compared to the original PAM SWAP algorithm, making PAM applicable to larger data sets, and in particular to higher k.

Modelling compositional meaning for sentences using empirical distributional methods has been a challenge for computational linguists. We implement the abstract categorical model of Coecke et al. (arXiv:1003.4394v1 [cs.CL]) using data from the BNC and evaluate it. The implementation is based on unsupervised learning of matrices for relational words and applying them to the vectors of their arguments. The evaluation is based on the word disambiguation task developed by Mitchell and Lapata (2008) for intransitive sentences, and on a similar new experiment designed for transitive sentences. Our model matches the results of its competitors in the first experiment, and betters them in the second. The general improvement in results with increase in syntactic complexity showcases the compositional power of our model.

Mining data streams with multi-label outputs poses significant challenges due to evolving distributions, high-dimensional label spaces, sparse label occurrences, and complex label dependencies. Moreover, concept drift affects not only input distributions but also label correlations and imbalance ratios over time, complicating model adaptation. To address these challenges, structured learners are categorized into local and global methods. Local methods break down the task into simpler components, while global methods adapt the algorithm to the full output space, potentially yielding better predictions by exploiting label correlations. This work introduces iHOMER (Incremental Hierarchy Of Multi-label Classifiers), an online multi-label learning framework that incrementally partitions the label space into disjoint, correlated clusters without relying on predefined hierarchies. iHOMER leverages online divisive-agglomerative clustering based on Jaccard similarity and a global tree-based learner driven by a multivariate Bernoulli process to guide instance partitioning. To address non-stationarity, it integrates drift detection mechanisms at both global and local levels, enabling dynamic restructuring of label partitions and subtrees. Experiments across 23 real-world datasets show iHOMER outperforms 5 state-of-the-art global baselines, such as MLHAT, MLHT of Pruned Sets and iSOUPT, by 23\%, and 12 local baselines, such as binary relevance transformations of kNN, EFDT, ARF, and ADWIN bagging/boosting ensembles, by 32\%, establishing its robustness for online multi-label classification.

We study the effectiveness of data-balancing for mitigating biases in contrastive language-image pretraining (CLIP), identifying areas of strength and limitation. First, we reaffirm prior conclusions that CLIP models can inadvertently absorb societal stereotypes. To counter this, we present a novel algorithm, called Multi-Modal Moment Matching (M4), designed to reduce both representation and association biases (i.e. in first- and second-order statistics) in multimodal data. We use M4 to conduct an in-depth analysis taking into account various factors, such as the model, representation, and data size. Our study also explores the dynamic nature of how CLIP learns and unlearns biases. In particular, we find that fine-tuning is effective in countering representation biases, though its impact diminishes for association biases. Also, data balancing has a mixed impact on quality: it tends to improve classification but can hurt retrieval. Interestingly, data and architectural improvements seem to mitigate the negative impact of data balancing on performance; e.g. applying M4 to SigLIP-B/16 with data quality filters improves COCO image-to-text retrieval @5 from 86% (without data balancing) to 87% and ImageNet 0-shot classification from 77% to 77.5%! Finally, we conclude with recommendations for improving the efficacy of data balancing in multimodal systems.

As demand for large corpora increases with the size of current state-of-the-art language models, using web data as the main part of the pre-training corpus for these models has become a ubiquitous practice. This, in turn, has introduced an important challenge for NLP practitioners, as they are now confronted with the task of developing highly optimized models and pipelines for pre-processing large quantities of textual data, which implies, effectively classifying and filtering multilingual, heterogeneous and noisy data, at web scale. One of the main components of this pre-processing step for the pre-training corpora of large language models, is the removal of adult and harmful content. In this paper we explore different methods for detecting adult and harmful of content in multilingual heterogeneous web data. We first show how traditional methods in harmful content detection, that seemingly perform quite well in small and specialized datasets quickly break down when confronted with heterogeneous noisy web data. We then resort to using a perplexity based approach but with a twist: Instead of using a so-called "clean" corpus to train a small language model and then use perplexity so select the documents with low perplexity, i.e., the documents that resemble this so-called "clean" corpus the most. We train solely with adult and harmful textual data, and then select the documents having a perplexity value above a given threshold. This approach will virtually cluster our documents into two distinct groups, which will greatly facilitate the choice of the threshold for the perplexity and will also allow us to obtain higher precision than with the traditional classification methods for detecting adult and harmful content.

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

In large language model training, input documents are typically concatenated together and then split into sequences of equal length to avoid padding tokens. Despite its efficiency, the concatenation approach compromises data integrity -- it inevitably breaks many documents into incomplete pieces, leading to excessive truncations that hinder the model from learning to compose logically coherent and factually consistent content that is grounded on the complete context. To address the issue, we propose Best-fit Packing, a scalable and efficient method that packs documents into training sequences through length-aware combinatorial optimization. Our method completely eliminates unnecessary truncations while retaining the same training efficiency as concatenation. Empirical results from both text and code pre-training show that our method achieves superior performance (e.g., relatively +4.7% on reading comprehension; +16.8% in context following; and +9.2% on program synthesis), and reduces closed-domain hallucination effectively by up to 58.3%.

Text-Video Retrieval aims to find the most relevant text (or video) candidate given a video (or text) query from large-scale online databases. Recent work leverages multi-modal large language models (MLLMs) to improve retrieval, especially for long or complex query-candidate pairs. However, we observe that the naive application of MLLMs, i.e., retrieval based on candidate likelihood, introduces candidate prior bias, favoring candidates with inherently higher priors over those more relevant to the query. To this end, we propose a novel retrieval framework, Bidirectional Likelihood Estimation with MLLM (BLiM), which leverages both query and candidate likelihoods by training the model to generate text from a given video as well as video features from a given text. Furthermore, we introduce Candidate Prior Normalization (CPN), a simple yet effective training-free score calibration module designed to mitigate candidate prior bias in candidate likelihood. On four Text-Video Retrieval benchmarks, our BLiM equipped with CPN outperforms previous state-of-the-art models by 6.4 R@1 on average, effectively alleviating candidate prior bias and emphasizing query-candidate relevance. Our in-depth analysis across various multi-modal tasks beyond retrieval highlights the broad applicability of CPN which enhances visual understanding by reducing reliance on textual priors. Code is available at https://github.com/mlvlab/BLiM.

Machine learning practitioners often have access to a spectrum of data: labeled data for the target task (which is often limited), unlabeled data, and auxiliary data, the many available labeled datasets for other tasks. We describe TAGLETS, a system built to study techniques for automatically exploiting all three types of data and creating high-quality, servable classifiers. The key components of TAGLETS are: (1) auxiliary data organized according to a knowledge graph, (2) modules encapsulating different methods for exploiting auxiliary and unlabeled data, and (3) a distillation stage in which the ensembled modules are combined into a servable model. We compare TAGLETS with state-of-the-art transfer learning and semi-supervised learning methods on four image classification tasks. Our study covers a range of settings, varying the amount of labeled data and the semantic relatedness of the auxiliary data to the target task. We find that the intelligent incorporation of auxiliary and unlabeled data into multiple learning techniques enables TAGLETS to match-and most often significantly surpass-these alternatives. TAGLETS is available as an open-source system at github.com/BatsResearch/taglets.

Tangles were originally introduced as a concept to formalize regions of high connectivity in graphs. In recent years, they have also been discovered as a link between structural graph theory and data science: when interpreting similarity in data sets as connectivity between points, finding clusters in the data essentially amounts to finding tangles in the underlying graphs. This paper further explores the potential of tangles in data sets as a means for a formal study of clusters. Real-world data often follow a normal distribution. Accounting for this, we develop a quantitative theory of tangles in data sets drawn from Gaussian mixtures. To this end, we equip the data with a graph structure that models similarity between the points and allows us to apply tangle theory to the data. We provide explicit conditions under which tangles associated with the marginal Gaussian distributions exist asymptotically almost surely. This can be considered as a sufficient formal criterion for the separabability of clusters in the data.