Daily Papers

State-of-the-art video object detection methods maintain a memory structure, either a sliding window or a memory queue, to enhance the current frame using attention mechanisms. However, we argue that these memory structures are not efficient or sufficient because of two implied operations: (1) concatenating all features in memory for enhancement, leading to a heavy computational cost; (2) frame-wise memory updating, preventing the memory from capturing more temporal information. In this paper, we propose a multi-level aggregation architecture via memory bank called MAMBA. Specifically, our memory bank employs two novel operations to eliminate the disadvantages of existing methods: (1) light-weight key-set construction which can significantly reduce the computational cost; (2) fine-grained feature-wise updating strategy which enables our method to utilize knowledge from the whole video. To better enhance features from complementary levels, i.e., feature maps and proposals, we further propose a generalized enhancement operation (GEO) to aggregate multi-level features in a unified manner. We conduct extensive evaluations on the challenging ImageNetVID dataset. Compared with existing state-of-the-art methods, our method achieves superior performance in terms of both speed and accuracy. More remarkably, MAMBA achieves mAP of 83.7/84.6% at 12.6/9.1 FPS with ResNet-101. Code is available at https://github.com/guanxiongsun/video_feature_enhancement.

Recently, state-of-the-art text-to-image generation models, such as Flux and Ideogram 2.0, have made significant progress in sentence-level visual text rendering. In this paper, we focus on the more challenging scenarios of article-level visual text rendering and address a novel task of generating high-quality business content, including infographics and slides, based on user provided article-level descriptive prompts and ultra-dense layouts. The fundamental challenges are twofold: significantly longer context lengths and the scarcity of high-quality business content data. In contrast to most previous works that focus on a limited number of sub-regions and sentence-level prompts, ensuring precise adherence to ultra-dense layouts with tens or even hundreds of sub-regions in business content is far more challenging. We make two key technical contributions: (i) the construction of scalable, high-quality business content dataset, i.e., Infographics-650K, equipped with ultra-dense layouts and prompts by implementing a layer-wise retrieval-augmented infographic generation scheme; and (ii) a layout-guided cross attention scheme, which injects tens of region-wise prompts into a set of cropped region latent space according to the ultra-dense layouts, and refine each sub-regions flexibly during inference using a layout conditional CFG. We demonstrate the strong results of our system compared to previous SOTA systems such as Flux and SD3 on our BizEval prompt set. Additionally, we conduct thorough ablation experiments to verify the effectiveness of each component. We hope our constructed Infographics-650K and BizEval can encourage the broader community to advance the progress of business content generation.

The issue-resolving task, where a model generates patches to fix real-world bugs, has emerged as a critical benchmark for evaluating the capabilities of large language models (LLMs). While SWE-bench and its variants have become standard in this domain, they suffer from key limitations: they have not been updated since their initial releases, cover a narrow set of repositories, and depend heavily on manual effort for instance construction and environment setup. These factors hinder scalability and introduce risks of overfitting and data contamination. In this work, we present SWE-bench-Live, a live-updatable benchmark designed to overcome these challenges. Our initial release consists of 1,319 tasks derived from real GitHub issues created since 2024, spanning 93 repositories. Each task is accompanied by a dedicated Docker image to ensure reproducible execution. Central to our benchmark is \method, an automated curation pipeline that streamlines the entire process from instance creation to environment setup, removing manual bottlenecks and enabling scalability and continuous updates. We evaluate a range of state-of-the-art agent frameworks and LLMs on SWE-bench-Live, revealing a substantial performance gap compared to static benchmarks like SWE-bench, even under controlled evaluation conditions. To better understand this discrepancy, we perform detailed analyses across repository origin, issue recency, and task difficulty. By providing a fresh, diverse, and executable benchmark grounded in live repository activity, SWE-bench-Live facilitates rigorous, contamination-resistant evaluation of LLMs and agents in dynamic, real-world software development settings.

Conventional semi-supervised learning (SSL) ideally assumes that labeled and unlabeled data share an identical class distribution, however in practice, this assumption is easily violated, as unlabeled data often includes unknown class data, i.e., outliers. The outliers are treated as noise, considerably degrading the performance of SSL models. To address this drawback, we propose a novel framework, Diversify and Conquer (DAC), to enhance SSL robustness in the context of open-set semi-supervised learning. In particular, we note that existing open-set SSL methods rely on prediction discrepancies between inliers and outliers from a single model trained on labeled data. This approach can be easily failed when the labeled data is insufficient, leading to performance degradation that is worse than naive SSL that do not account for outliers. In contrast, our approach exploits prediction disagreements among multiple models that are differently biased towards the unlabeled distribution. By leveraging the discrepancies arising from training on unlabeled data, our method enables robust outlier detection even when the labeled data is underspecified. Our key contribution is constructing a collection of differently biased models through a single training process. By encouraging divergent heads to be differently biased towards outliers while making consistent predictions for inliers, we exploit the disagreement among these heads as a measure to identify unknown concepts. Our code is available at https://github.com/heejokong/DivCon.

We extend JAX with the capability to automatically differentiate higher-order functions (functionals and operators). By representing functions as a generalization of arrays, we seamlessly use JAX's existing primitive system to implement higher-order functions. We present a set of primitive operators that serve as foundational building blocks for constructing several key types of functionals. For every introduced primitive operator, we derive and implement both linearization and transposition rules, aligning with JAX's internal protocols for forward and reverse mode automatic differentiation. This enhancement allows for functional differentiation in the same syntax traditionally use for functions. The resulting functional gradients are themselves functions ready to be invoked in python. We showcase this tool's efficacy and simplicity through applications where functional derivatives are indispensable. The source code of this work is released at https://github.com/sail-sg/autofd .

A coreset is a tiny weighted subset of an input set, that closely resembles the loss function, with respect to a certain set of queries. Coresets became prevalent in machine learning as they have shown to be advantageous for many applications. While coreset research is an active research area, unfortunately, coresets are constructed in a problem-dependent manner, where for each problem, a new coreset construction algorithm is usually suggested, a process that may take time or may be hard for new researchers in the field. Even the generic frameworks require additional (problem-dependent) computations or proofs to be done by the user. Besides, many problems do not have (provable) small coresets, limiting their applicability. To this end, we suggest an automatic practical framework for constructing coresets, which requires (only) the input data and the desired cost function from the user, without the need for any other task-related computation to be done by the user. To do so, we reduce the problem of approximating a loss function to an instance of vector summation approximation, where the vectors we aim to sum are loss vectors of a specific subset of the queries, such that we aim to approximate the image of the function on this subset. We show that while this set is limited, the coreset is quite general. An extensive experimental study on various machine learning applications is also conducted. Finally, we provide a ``plug and play" style implementation, proposing a user-friendly system that can be easily used to apply coresets for many problems. Full open source code can be found at https://github.com/alaamaalouf/AutoCoreset{https://github.com/alaamaalouf/AutoCoreset}. We believe that these contributions enable future research and easier use and applications of coresets.

Prediction sets have recently been shown to be a promising strategy for quantifying the uncertainty of deep neural networks in a way that provides theoretical guarantees. However, existing techniques have largely targeted settings where the space of labels is simple, so prediction sets can be arbitrary subsets of labels. For structured prediction problems where the space of labels is exponential in size, even prediction sets containing a small fraction of all labels can be exponentially large. In the context of code generation, we propose a solution that considers a restricted set of prediction sets that can compactly be represented as partial programs, which are programs with portions replaced with holes. Given a trained code generation model, our algorithm leverages a programming language's abstract syntax tree to generate a set of programs such that the correct program is in the set with high-confidence. Valuable applications of our algorithm include a Codex-style code generator with holes in uncertain parts of the generated code, which provides a partial program with theoretical guarantees. We evaluate our approach on PICARD (a T5 model for SQL semantic parsing) and Codex (a GPT model for over a dozen programming languages, including Python), demonstrating that our approach generates compact PAC prediction sets. This is the first research contribution that generates PAC prediction sets for generative code models.

Set representation has become ubiquitous in deep learning for modeling the inductive bias of neural networks that are insensitive to the input order. DeepSets is the most widely used neural network architecture for set representation. It involves embedding each set element into a latent space with dimension L, followed by a sum pooling to obtain a whole-set embedding, and finally mapping the whole-set embedding to the output. In this work, we investigate the impact of the dimension L on the expressive power of DeepSets. Previous analyses either oversimplified high-dimensional features to be one-dimensional features or were limited to analytic activations, thereby diverging from practical use or resulting in L that grows exponentially with the set size N and feature dimension D. To investigate the minimal value of L that achieves sufficient expressive power, we present two set-element embedding layers: (a) linear + power activation (LP) and (b) linear + exponential activations (LE). We demonstrate that L being poly(N, D) is sufficient for set representation using both embedding layers. We also provide a lower bound of L for the LP embedding layer. Furthermore, we extend our results to permutation-equivariant set functions and the complex field.

Many machine learning tasks such as multiple instance learning, 3D shape recognition, and few-shot image classification are defined on sets of instances. Since solutions to such problems do not depend on the order of elements of the set, models used to address them should be permutation invariant. We present an attention-based neural network module, the Set Transformer, specifically designed to model interactions among elements in the input set. The model consists of an encoder and a decoder, both of which rely on attention mechanisms. In an effort to reduce computational complexity, we introduce an attention scheme inspired by inducing point methods from sparse Gaussian process literature. It reduces the computation time of self-attention from quadratic to linear in the number of elements in the set. We show that our model is theoretically attractive and we evaluate it on a range of tasks, demonstrating the state-of-the-art performance compared to recent methods for set-structured data.

Autoregressive next token prediction language models offer powerful capabilities but face significant challenges in practical deployment due to the high computational and memory costs of inference, particularly during the decoding stage. We introduce Set Block Decoding (SBD), a simple and flexible paradigm that accelerates generation by integrating standard next token prediction (NTP) and masked token prediction (MATP) within a single architecture. SBD allows the model to sample multiple, not necessarily consecutive, future tokens in parallel, a key distinction from previous acceleration methods. This flexibility allows the use of advanced solvers from the discrete diffusion literature, offering significant speedups without sacrificing accuracy. SBD requires no architectural changes or extra training hyperparameters, maintains compatibility with exact KV-caching, and can be implemented by fine-tuning existing next token prediction models. By fine-tuning Llama-3.1 8B and Qwen-3 8B, we demonstrate that SBD enables a 3-5x reduction in the number of forward passes required for generation while achieving same performance as equivalent NTP training.

This paper proposes a fundamentally new paradigm for image generation through set-based tokenization and distribution modeling. Unlike conventional methods that serialize images into fixed-position latent codes with a uniform compression ratio, we introduce an unordered token set representation to dynamically allocate coding capacity based on regional semantic complexity. This TokenSet enhances global context aggregation and improves robustness against local perturbations. To address the critical challenge of modeling discrete sets, we devise a dual transformation mechanism that bijectively converts sets into fixed-length integer sequences with summation constraints. Further, we propose Fixed-Sum Discrete Diffusion--the first framework to simultaneously handle discrete values, fixed sequence length, and summation invariance--enabling effective set distribution modeling. Experiments demonstrate our method's superiority in semantic-aware representation and generation quality. Our innovations, spanning novel representation and modeling strategies, advance visual generation beyond traditional sequential token paradigms. Our code and models are publicly available at https://github.com/Gengzigang/TokenSet.

Taking inspiration from Set Theory, we introduce SetCSE, an innovative information retrieval framework. SetCSE employs sets to represent complex semantics and incorporates well-defined operations for structured information querying under the provided context. Within this framework, we introduce an inter-set contrastive learning objective to enhance comprehension of sentence embedding models concerning the given semantics. Furthermore, we present a suite of operations, including SetCSE intersection, difference, and operation series, that leverage sentence embeddings of the enhanced model for complex sentence retrieval tasks. Throughout this paper, we demonstrate that SetCSE adheres to the conventions of human language expressions regarding compounded semantics, provides a significant enhancement in the discriminatory capability of underlying sentence embedding models, and enables numerous information retrieval tasks involving convoluted and intricate prompts which cannot be achieved using existing querying methods.

The impressive capabilities of recent language models can be largely attributed to the multi-trillion token pretraining datasets that they are trained on. However, model developers fail to disclose their construction methodology which has lead to a lack of open information on how to develop effective pretraining sets. To address this issue, we perform the first systematic study across the entire pipeline of pretraining set construction. First, we run ablations on existing techniques for pretraining set development to identify which methods translate to the largest gains in model accuracy on downstream evaluations. Then, we categorize the most widely used data source, web crawl snapshots, across the attributes of toxicity, quality, type of speech, and domain. Finally, we show how such attribute information can be used to further refine and improve the quality of a pretraining set. These findings constitute an actionable set of steps that practitioners can use to develop high quality pretraining sets.

Many computational factors limit broader deployment of large language models. In this paper, we focus on a memory bottleneck imposed by the key-value (KV) cache, a computational shortcut that requires storing previous KV pairs during decoding. While existing KV cache methods approach this problem by pruning or evicting large swaths of relatively less important KV pairs to dramatically reduce the memory footprint of the cache, they can have limited success in tasks that require recollecting a majority of previous tokens. To alleviate this issue, we propose LESS, a simple integration of a (nearly free) constant sized cache with eviction-based cache methods, such that all tokens can be queried at later decoding steps. Its ability to retain information throughout time shows merit on a variety of tasks where we demonstrate LESS can help reduce the performance gap from caching everything, sometimes even matching it, all while being efficient.

Localizing target objects in images is an important task in computer vision. Often it is the first step towards solving a variety of applications in autonomous driving, maintenance, quality insurance, robotics, and augmented reality. Best in class solutions for this task rely on deep neural networks, which require a set of representative training data for best performance. Creating sets of sufficient quality, variety, and size is often difficult, error prone, and expensive. This is where the method of luminance keying can help: it provides a simple yet effective solution to record high quality data for training object detection and segmentation. We extend previous work that presented luminance keying on the common YCB-V set of household objects by recording the remaining objects of the YCB superset. The additional variety of objects - addition of transparency, multiple color variations, non-rigid objects - further demonstrates the usefulness of luminance keying and might be used to test the applicability of the approach on new 2D object detection and segmentation algorithms.

In recent years, the challenge of extracting information from business documents has emerged as a critical task, finding applications across numerous domains. This effort has attracted substantial interest from both industry and academy, highlighting its significance in the current technological landscape. Most datasets in this area are primarily focused on Key Information Extraction (KIE), where the extraction process revolves around extracting information using a specific, predefined set of keys. Unlike most existing datasets and benchmarks, our focus is on discovering key-value pairs (KVPs) without relying on predefined keys, navigating through an array of diverse templates and complex layouts. This task presents unique challenges, primarily due to the absence of comprehensive datasets and benchmarks tailored for non-predetermined KVP extraction. To address this gap, we introduce KVP10k , a new dataset and benchmark specifically designed for KVP extraction. The dataset contains 10707 richly annotated images. In our benchmark, we also introduce a new challenging task that combines elements of KIE as well as KVP in a single task. KVP10k sets itself apart with its extensive diversity in data and richly detailed annotations, paving the way for advancements in the field of information extraction from complex business documents.

Set function learning has emerged as a crucial area in machine learning, addressing the challenge of modeling functions that take sets as inputs. Unlike traditional machine learning that involves fixed-size input vectors where the order of features matters, set function learning demands methods that are invariant to permutations of the input set, presenting a unique and complex problem. This survey provides a comprehensive overview of the current development in set function learning, covering foundational theories, key methodologies, and diverse applications. We categorize and discuss existing approaches, focusing on deep learning approaches, such as DeepSets and Set Transformer based methods, as well as other notable alternative methods beyond deep learning, offering a complete view of current models. We also introduce various applications and relevant datasets, such as point cloud processing and multi-label classification, highlighting the significant progress achieved by set function learning methods in these domains. Finally, we conclude by summarizing the current state of set function learning approaches and identifying promising future research directions, aiming to guide and inspire further advancements in this promising field.

Keyphrase generation is the task of predicting a set of lexical units that conveys the main content of a source text. Existing datasets for keyphrase generation are only readily available for the scholarly domain and include non-expert annotations. In this paper we present KPTimes, a large-scale dataset of news texts paired with editor-curated keyphrases. Exploring the dataset, we show how editors tag documents, and how their annotations differ from those found in existing datasets. We also train and evaluate state-of-the-art neural keyphrase generation models on KPTimes to gain insights on how well they perform on the news domain. The dataset is available online at https://github.com/ygorg/KPTimes .

We introduce the Convolutional Set Transformer (CST), a novel neural architecture designed to process image sets of arbitrary cardinality that are visually heterogeneous yet share high-level semantics - such as a common category, scene, or concept. Existing set-input networks, e.g., Deep Sets and Set Transformer, are limited to vector inputs and cannot directly handle 3D image tensors. As a result, they must be cascaded with a feature extractor, typically a CNN, which encodes images into embeddings before the set-input network can model inter-image relationships. In contrast, CST operates directly on 3D image tensors, performing feature extraction and contextual modeling simultaneously, thereby enabling synergies between the two processes. This design yields superior performance in tasks such as Set Classification and Set Anomaly Detection and further provides native compatibility with CNN explainability methods such as Grad-CAM, unlike competing approaches that remain opaque. Finally, we show that CSTs can be pre-trained on large-scale datasets and subsequently adapted to new domains and tasks through standard Transfer Learning schemes. To support further research, we release CST-15, a CST backbone pre-trained on ImageNet (https://github.com/chinefed/convolutional-set-transformer).

Keyphrase provides highly-condensed information that can be effectively used for understanding, organizing and retrieving text content. Though previous studies have provided many workable solutions for automated keyphrase extraction, they commonly divided the to-be-summarized content into multiple text chunks, then ranked and selected the most meaningful ones. These approaches could neither identify keyphrases that do not appear in the text, nor capture the real semantic meaning behind the text. We propose a generative model for keyphrase prediction with an encoder-decoder framework, which can effectively overcome the above drawbacks. We name it as deep keyphrase generation since it attempts to capture the deep semantic meaning of the content with a deep learning method. Empirical analysis on six datasets demonstrates that our proposed model not only achieves a significant performance boost on extracting keyphrases that appear in the source text, but also can generate absent keyphrases based on the semantic meaning of the text. Code and dataset are available at https://github.com/memray/OpenNMT-kpg-release.

Keyphrase generation is the task consisting in generating a set of words or phrases that highlight the main topics of a document. There are few datasets for keyphrase generation in the biomedical domain and they do not meet the expectations in terms of size for training generative models. In this paper, we introduce kp-biomed, the first large-scale biomedical keyphrase generation dataset with more than 5M documents collected from PubMed abstracts. We train and release several generative models and conduct a series of experiments showing that using large scale datasets improves significantly the performances for present and absent keyphrase generation. The dataset is available under CC-BY-NC v4.0 license at https://huggingface.co/ datasets/taln-ls2n/kpbiomed.

Existing cross-encoder models can be categorized as pointwise, pairwise, or listwise. Pairwise and listwise models allow passage interactions, which typically makes them more effective than pointwise models but less efficient and less robust to input passage order permutations. To enable efficient permutation-invariant passage interactions during re-ranking, we propose a new cross-encoder architecture with inter-passage attention: the Set-Encoder. In experiments on TREC Deep Learning and TIREx, the Set-Encoder is as effective as state-of-the-art listwise models while being more efficient and invariant to input passage order permutations. Compared to pointwise models, the Set-Encoder is particularly more effective when considering inter-passage information, such as novelty, and retains its advantageous properties compared to other listwise models. Our code is publicly available at https://github.com/webis-de/ECIR-25.

The synergy between symbolic knowledge, often represented by Knowledge Graphs (KGs), and the generative capabilities of neural networks is central to advancing neurosymbolic AI. A primary bottleneck in realizing this potential is the difficulty of automating KG construction, which faces challenges related to output reliability, consistency, and verifiability. These issues can manifest as structural inconsistencies within the generated graphs, such as the formation of disconnected isolated islands of data or the inaccurate conflation of abstract classes with specific instances. To address these challenges, we propose HyDRA, a Hybrid-Driven Reasoning Architecture designed for verifiable KG automation. Given a domain or an initial set of documents, HyDRA first constructs an ontology via a panel of collaborative neurosymbolic agents. These agents collaboratively agree on a set of competency questions (CQs) that define the scope and requirements the ontology must be able to answer. Given these CQs, we build an ontology graph that subsequently guides the automated extraction of triplets for KG generation from arbitrary documents. Inspired by design-by-contracts (DbC) principles, our method leverages verifiable contracts as the primary control mechanism to steer the generative process of Large Language Models (LLMs). To verify the output of our approach, we extend beyond standard benchmarks and propose an evaluation framework that assesses the functional correctness of the resulting KG by leveraging symbolic verifications as described by the neurosymbolic AI framework, SymbolicAI. This work contributes a hybrid-driven architecture for improving the reliability of automated KG construction and the exploration of evaluation methods for measuring the functional integrity of its output. The code is publicly available.

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.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

The Schr\"odinger Bridge (SB) is a powerful framework for solving generative modeling tasks such as unpaired domain translation. Most SB-related research focuses on continuous data space R^{D} and leaves open theoretical and algorithmic questions about applying SB methods to discrete data, e.g, on finite spaces S^{D}. Notable examples of such sets S are codebooks of vector-quantized (VQ) representations of modern autoencoders, tokens in texts, categories of atoms in molecules, etc. In this paper, we provide a theoretical and algorithmic foundation for solving SB in discrete spaces using the recently introduced Iterative Markovian Fitting (IMF) procedure. Specifically, we theoretically justify the convergence of discrete-time IMF (D-IMF) to SB in discrete spaces. This enables us to develop a practical computational algorithm for SB which we call Categorical Schr\"odinger Bridge Matching (CSBM). We show the performance of CSBM via a series of experiments with synthetic data and VQ representations of images.

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

A key to knowledge graph embedding (KGE) is to choose a proper representation space, e.g., point-wise Euclidean space and complex vector space. In this paper, we propose a unified perspective of embedding and introduce uncertainty into KGE from the view of group theory. Our model can incorporate existing models (i.e., generality), ensure the computation is tractable (i.e., efficiency) and enjoy the expressive power of complex random variables (i.e., expressiveness). The core idea is that we embed entities/relations as elements of a symmetric group, i.e., permutations of a set. Permutations of different sets can reflect different properties of embedding. And the group operation of symmetric groups is easy to compute. In specific, we show that the embedding of many existing models, point vectors, can be seen as elements of a symmetric group. To reflect uncertainty, we first embed entities/relations as permutations of a set of random variables. A permutation can transform a simple random variable into a complex random variable for greater expressiveness, called a normalizing flow. We then define scoring functions by measuring the similarity of two normalizing flows, namely NFE. We construct several instantiating models and prove that they are able to learn logical rules. Experimental results demonstrate the effectiveness of introducing uncertainty and our model. The code is available at https://github.com/changyi7231/NFE.

Deep neural networks perform well on classification tasks where data streams are i.i.d. and labeled data is abundant. Challenges emerge with non-stationary training data streams such as continual learning. One powerful approach that has addressed this challenge involves pre-training of large encoders on volumes of readily available data, followed by task-specific tuning. Given a new task, however, updating the weights of these encoders is challenging as a large number of weights needs to be fine-tuned, and as a result, they forget information about the previous tasks. In the present work, we propose a model architecture to address this issue, building upon a discrete bottleneck containing pairs of separate and learnable key-value codes. Our paradigm will be to encode; process the representation via a discrete bottleneck; and decode. Here, the input is fed to the pre-trained encoder, the output of the encoder is used to select the nearest keys, and the corresponding values are fed to the decoder to solve the current task. The model can only fetch and re-use a sparse number of these key-value pairs during inference, enabling localized and context-dependent model updates. We theoretically investigate the ability of the discrete key-value bottleneck to minimize the effect of learning under distribution shifts and show that it reduces the complexity of the hypothesis class. We empirically verify the proposed method under challenging class-incremental learning scenarios and show that the proposed model - without any task boundaries - reduces catastrophic forgetting across a wide variety of pre-trained models, outperforming relevant baselines on this task.

Recent work has shown the immense potential of synthetically generated datasets for training large language models (LLMs), especially for acquiring targeted skills. Current large-scale math instruction tuning datasets such as MetaMathQA (Yu et al., 2024) and MAmmoTH (Yue et al., 2024) are constructed using outputs from closed-source LLMs with commercially restrictive licenses. A key reason limiting the use of open-source LLMs in these data generation pipelines has been the wide gap between the mathematical skills of the best closed-source LLMs, such as GPT-4, and the best open-source LLMs. Building on the recent progress in open-source LLMs, our proposed prompting novelty, and some brute-force scaling, we construct OpenMathInstruct-1, a math instruction tuning dataset with 1.8M problem-solution pairs. The dataset is constructed by synthesizing code-interpreter solutions for GSM8K and MATH, two popular math reasoning benchmarks, using the recently released and permissively licensed Mixtral model. Our best model, OpenMath-CodeLlama-70B, trained on a subset of OpenMathInstruct-1, achieves a score of 84.6% on GSM8K and 50.7% on MATH, which is competitive with the best gpt-distilled models. We release our code, models, and the OpenMathInstruct-1 dataset under a commercially permissive license.

This work introduces a general code generation framework that incorporates infilling operations into auto-regressive decoding. Our approach capitalizes on the observation that recent code language models with infilling capabilities can perform self-infilling: whereas infilling operations aim to fill in the middle based on a predefined prefix and suffix, self-infilling sequentially generates both such surrounding context and the infilled content. We utilize this feature to develop an infilling-augmented decoding process that facilitates non-monotonic generation. This approach allows for postponing the generation of uncertain code snippets until a definitive suffix is established, leading to improved control over the generation sequence. In addition, it facilitates a looping mechanism, which can iteratively update and synchronize each piece of generation in a cyclic manner. Extensive experiments are conducted to demonstrate that our proposed decoding process is effective in enhancing regularity and quality across several code generation benchmarks.

Recently, large vision-language models (LVLMs) have rapidly gained popularity for their strong generation and reasoning capabilities given diverse multimodal inputs. However, these models incur significant computational and memory overhead during inference, which greatly hinders the efficient deployment in practical scenarios. The extensive key-value (KV) cache, necessitated by the lengthy input and output sequences, notably contributes to the high inference cost. Based on this, recent works have investigated ways to reduce the KV cache size for higher efficiency. Although effective, they generally overlook the distinct importance distributions of KV vectors across layers and maintain the same cache size for each layer during the next token prediction. This results in the significant contextual information loss for certain layers, leading to notable performance decline. To address this, we present PrefixKV. It reframes the challenge of determining KV cache sizes for all layers into the task of searching for the optimal global prefix configuration. With an adaptive layer-wise KV retention recipe based on binary search, the maximum contextual information can thus be preserved in each layer, facilitating the generation. Extensive experiments demonstrate that our method achieves the state-of-the-art performance compared with others. It exhibits superior inference efficiency and generation quality trade-offs, showing promising potential for practical applications. Code is available at https://github.com/THU-MIG/PrefixKV.

We consider the problem of constructing small coresets for k-Median in Euclidean spaces. Given a large set of data points Psubset R^d, a coreset is a much smaller set Ssubset R^d, so that the k-Median costs of any k centers w.r.t. P and S are close. Existing literature mainly focuses on the high-dimension case and there has been great success in obtaining dimension-independent bounds, whereas the case for small d is largely unexplored. Considering many applications of Euclidean clustering algorithms are in small dimensions and the lack of systematic studies in the current literature, this paper investigates coresets for k-Median in small dimensions. For small d, a natural question is whether existing near-optimal dimension-independent bounds can be significantly improved. We provide affirmative answers to this question for a range of parameters. Moreover, new lower bound results are also proved, which are the highest for small d. In particular, we completely settle the coreset size bound for 1-d k-Median (up to log factors). Interestingly, our results imply a strong separation between 1-d 1-Median and 1-d 2-Median. As far as we know, this is the first such separation between k=1 and k=2 in any dimension.

Key-Value (KV) cache has become a bottleneck of LLMs for long-context generation. Despite the numerous efforts in this area, the optimization for the decoding phase is generally ignored. However, we believe such optimization is crucial, especially for long-output generation tasks based on the following two observations: (i) Excessive compression during the prefill phase, which requires specific full context impairs the comprehension of the reasoning task; (ii) Deviation of heavy hitters occurs in the reasoning tasks with long outputs. Therefore, SCOPE, a simple yet efficient framework that separately performs KV cache optimization during the prefill and decoding phases, is introduced. Specifically, the KV cache during the prefill phase is preserved to maintain the essential information, while a novel strategy based on sliding is proposed to select essential heavy hitters for the decoding phase. Memory usage and memory transfer are further optimized using adaptive and discontinuous strategies. Extensive experiments on LongGenBench show the effectiveness and generalization of SCOPE and its compatibility as a plug-in to other prefill-only KV compression methods.

Despite the significant success of large language models (LLMs), their extensive memory requirements pose challenges for deploying them in long-context token generation. The substantial memory footprint of LLM decoders arises from the necessity to store all previous tokens in the attention module, a requirement imposed by key-value (KV) caching. In this work, our focus is on developing an efficient compression technique for the KV cache. Empirical evidence indicates a significant clustering tendency within key embeddings in the attention module. Building on this key insight, we have devised a novel caching method with sublinear complexity, employing online clustering on key tokens and online ell_2 sampling on values. The result is a provably accurate and efficient attention decoding algorithm, termed SubGen. Not only does this algorithm ensure a sublinear memory footprint and sublinear time complexity, but we also establish a tight error bound for our approach. Empirical evaluations on long-context question-answering tasks demonstrate that SubGen significantly outperforms existing and state-of-the-art KV cache compression methods in terms of performance and efficiency.

This paper introduces a structured memory which can be easily integrated into a neural network. The memory is very large by design and significantly increases the capacity of the architecture, by up to a billion parameters with a negligible computational overhead. Its design and access pattern is based on product keys, which enable fast and exact nearest neighbor search. The ability to increase the number of parameters while keeping the same computational budget lets the overall system strike a better trade-off between prediction accuracy and computation efficiency both at training and test time. This memory layer allows us to tackle very large scale language modeling tasks. In our experiments we consider a dataset with up to 30 billion words, and we plug our memory layer in a state-of-the-art transformer-based architecture. In particular, we found that a memory augmented model with only 12 layers outperforms a baseline transformer model with 24 layers, while being twice faster at inference time. We release our code for reproducibility purposes.

Key-value (KV) caching has become the de-facto to accelerate generation speed for large language models (LLMs) inference. However, the growing cache demand with increasing sequence length has transformed LLM inference to be a memory bound problem, significantly constraining the system throughput. Existing methods rely on dropping unimportant tokens or quantizing all entries uniformly. Such methods, however, often incur high approximation errors to represent the compressed matrices. The autoregressive decoding process further compounds the error of each step, resulting in critical deviation in model generation and deterioration of performance. To tackle this challenge, we propose GEAR, an efficient KV cache compression framework that achieves near-lossless high-ratio compression. GEAR first applies quantization to majority of entries of similar magnitudes to ultra-low precision. It then employs a low rank matrix to approximate the quantization error, and a sparse matrix to remedy individual errors from outlier entries. By adeptly integrating three techniques, GEAR is able to fully exploit their synergistic potentials. Our experiments demonstrate that compared to alternatives, GEAR achieves near-lossless 4-bit KV cache compression with up to 2.38x throughput improvement, while reducing peak-memory size up to 2.29x. Our code is publicly available at https://github.com/HaoKang-Timmy/GEAR.

Dataset ownership verification, the process of determining if a dataset is used in a model's training data, is necessary for detecting unauthorized data usage and data contamination. Existing approaches, such as backdoor watermarking, rely on inducing a detectable behavior into the trained model on a part of the data distribution. However, these approaches have limitations, as they can be harmful to the model's performances or require unpractical access to the model's internals. Most importantly, previous approaches lack guarantee against false positives. This paper introduces data taggants, a novel non-backdoor dataset ownership verification technique. Our method uses pairs of out-of-distribution samples and random labels as secret keys, and leverages clean-label targeted data poisoning to subtly alter a dataset, so that models trained on it respond to the key samples with the corresponding key labels. The keys are built as to allow for statistical certificates with black-box access only to the model. We validate our approach through comprehensive and realistic experiments on ImageNet1k using ViT and ResNet models with state-of-the-art training recipes. Our findings demonstrate that data taggants can reliably make models trained on the protected dataset detectable with high confidence, without compromising validation accuracy, and demonstrates superiority over backdoor watermarking. Moreover, our method shows to be stealthy and robust against various defense mechanisms.

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

Leveraging Large Language Models (LLMs) for generative recommendation has attracted significant research interest, where item tokenization is a critical step. It involves assigning item identifiers for LLMs to encode user history and generate the next item. Existing approaches leverage either token-sequence identifiers, representing items as discrete token sequences, or single-token identifiers, using ID or semantic embeddings. Token-sequence identifiers face issues such as the local optima problem in beam search and low generation efficiency due to step-by-step generation. In contrast, single-token identifiers fail to capture rich semantics or encode Collaborative Filtering (CF) information, resulting in suboptimal performance. To address these issues, we propose two fundamental principles for item identifier design: 1) integrating both CF and semantic information to fully capture multi-dimensional item information, and 2) designing order-agnostic identifiers without token dependency, mitigating the local optima issue and achieving simultaneous generation for generation efficiency. Accordingly, we introduce a novel set identifier paradigm for LLM-based generative recommendation, representing each item as a set of order-agnostic tokens. To implement this paradigm, we propose SETRec, which leverages CF and semantic tokenizers to obtain order-agnostic multi-dimensional tokens. To eliminate token dependency, SETRec uses a sparse attention mask for user history encoding and a query-guided generation mechanism for simultaneous token generation. We instantiate SETRec on T5 and Qwen (from 1.5B to 7B). Extensive experiments demonstrate its effectiveness under various scenarios (e.g., full ranking, warm- and cold-start ranking, and various item popularity groups). Moreover, results validate SETRec's superior efficiency and show promising scalability on cold-start items as model sizes increase.

With recent dramatic increases in AI system capabilities, there has been growing interest in utilizing machine learning for reasoning-heavy, quantitative tasks, particularly mathematics. While there are many resources capturing mathematics at the high-school, undergraduate, and graduate level, there are far fewer resources available that align with the level of difficulty and open endedness encountered by professional mathematicians working on open problems. To address this, we introduce a new collection of datasets, the Algebraic Combinatorics Dataset Repository (ACD Repo), representing either foundational results or open problems in algebraic combinatorics, a subfield of mathematics that studies discrete structures arising from abstract algebra. Further differentiating our dataset collection is the fact that it aims at the conjecturing process. Each dataset includes an open-ended research-level question and a large collection of examples (up to 10M in some cases) from which conjectures should be generated. We describe all nine datasets, the different ways machine learning models can be applied to them (e.g., training with narrow models followed by interpretability analysis or program synthesis with LLMs), and discuss some of the challenges involved in designing datasets like these.

Program synthesis is challenging largely because of the difficulty of search in a large space of programs. Human programmers routinely tackle the task of writing complex programs by writing sub-programs and then analyzing their intermediate results to compose them in appropriate ways. Motivated by this intuition, we present a new synthesis approach that leverages learning to guide a bottom-up search over programs. In particular, we train a model to prioritize compositions of intermediate values during search conditioned on a given set of input-output examples. This is a powerful combination because of several emergent properties. First, in bottom-up search, intermediate programs can be executed, providing semantic information to the neural network. Second, given the concrete values from those executions, we can exploit rich features based on recent work on property signatures. Finally, bottom-up search allows the system substantial flexibility in what order to generate the solution, allowing the synthesizer to build up a program from multiple smaller sub-programs. Overall, our empirical evaluation finds that the combination of learning and bottom-up search is remarkably effective, even with simple supervised learning approaches. We demonstrate the effectiveness of our technique on two datasets, one from the SyGuS competition and one of our own creation.

In this technical note, we study the problem of inverse permutation learning in decoder-only transformers. Given a permutation and a string to which that permutation has been applied, the model is tasked with producing the original (``canonical'') string. We argue that this task models a natural robustness property across a variety of reasoning tasks, including long-context retrieval, multiple choice QA and in-context learning. Our primary contribution is an impossibility result: we show that an arbitrary depth, decoder-only transformer cannot learn this task. This result concerns the expressive capacity of decoder-only transformer models and is agnostic to training dynamics or sample complexity. We give a pair of alternative constructions under which inverse permutation learning is feasible. The first of these highlights the fundamental role of the causal attention mask, and reveals a gap between the expressivity of encoder-decoder transformers and the more popular decoder-only architecture. The latter result is more surprising: we show that simply padding the input with ``scratch tokens" yields a construction under which inverse permutation learning is possible. We conjecture that this may suggest an alternative mechanism by which chain-of-thought prompting or, more generally, intermediate ``thinking'' tokens can enable reasoning in large language models, even when these tokens encode no meaningful semantic information (e.g., the results of intermediate computations).

Key-Value (KV) caching is a common technique to enhance the computational efficiency of Large Language Models (LLMs), but its memory overhead grows rapidly with input length. Prior work has shown that not all tokens are equally important for text generation, proposing layer-level KV cache compression to selectively retain key information. Recognizing the distinct roles of attention heads in generation, we propose HeadKV, a head-level KV cache compression method, and HeadKV-R2, which leverages a novel contextual reasoning ability estimation for compression. Our approach operates at the level of individual heads, estimating their importance for contextual QA tasks that require both retrieval and reasoning capabilities. Extensive experiments across diverse benchmarks (LongBench, LooGLE), model architectures (e.g., Llama-3-8B-Instruct, Mistral-7B-Instruct), and long-context abilities tests demonstrate that our head-level KV cache compression significantly outperforms strong baselines, particularly in low-resource settings (KV size = 64 & 128). Notably, our method retains just 1.5% of the KV cache while achieving 97% of the performance of the full KV cache on the contextual question answering benchmark.

Key-Value (KV) Caching has become an essential technique for accelerating the inference speed and throughput of generative Large Language Models~(LLMs). However, the memory footprint of the KV cache poses a critical bottleneck in LLM deployment as the cache size grows with batch size and sequence length, often surpassing even the size of the model itself. Although recent methods were proposed to select and evict unimportant KV pairs from the cache to reduce memory consumption, the potential ramifications of eviction on the generative process are yet to be thoroughly examined. In this paper, we examine the detrimental impact of cache eviction and observe that unforeseen risks arise as the information contained in the KV pairs is exhaustively discarded, resulting in safety breaches, hallucinations, and context loss. Surprisingly, we find that preserving even a small amount of information contained in the evicted KV pairs via reduced precision quantization substantially recovers the incurred degradation. On the other hand, we observe that the important KV pairs must be kept at a relatively higher precision to safeguard the generation quality. Motivated by these observations, we propose Mixed-precision KV cache~(MiKV), a reliable cache compression method that simultaneously preserves the context details by retaining the evicted KV pairs in low-precision and ensure generation quality by keeping the important KV pairs in high-precision. Experiments on diverse benchmarks and LLM backbones show that our proposed method offers a state-of-the-art trade-off between compression ratio and performance, compared to other baselines.

State-of-the-art keyphrase generation methods generally depend on large annotated datasets, limiting their performance in domains with limited annotated data. To overcome this challenge, we design a data-oriented approach that first identifies salient information using retrieval-based corpus-level statistics, and then learns a task-specific intermediate representation based on a pre-trained language model using large-scale unlabeled documents. We introduce salient span recovery and salient span prediction as denoising training objectives that condense the intra-article and inter-article knowledge essential for keyphrase generation. Through experiments on multiple keyphrase generation benchmarks, we show the effectiveness of the proposed approach for facilitating low-resource keyphrase generation and zero-shot domain adaptation. Our method especially benefits the generation of absent keyphrases, approaching the performance of models trained with large training sets.

Learning neural subset selection tasks, such as compound selection in AI-aided drug discovery, have become increasingly pivotal across diverse applications. The existing methodologies in the field primarily concentrate on constructing models that capture the relationship between utility function values and subsets within their respective supersets. However, these approaches tend to overlook the valuable information contained within the superset when utilizing neural networks to model set functions. In this work, we address this oversight by adopting a probabilistic perspective. Our theoretical findings demonstrate that when the target value is conditioned on both the input set and subset, it is essential to incorporate an invariant sufficient statistic of the superset into the subset of interest for effective learning. This ensures that the output value remains invariant to permutations of the subset and its corresponding superset, enabling identification of the specific superset from which the subset originated. Motivated by these insights, we propose a simple yet effective information aggregation module designed to merge the representations of subsets and supersets from a permutation invariance perspective. Comprehensive empirical evaluations across diverse tasks and datasets validate the enhanced efficacy of our approach over conventional methods, underscoring the practicality and potency of our proposed strategies in real-world contexts.

Deep Neural Networks (DNNs) require large amounts of annotated training data for a good performance. Often this data is generated using manual labeling (error-prone and time-consuming) or rendering (requiring geometry and material information). Both approaches make it difficult or uneconomic to apply them to many small-scale applications. A fast and straightforward approach of acquiring the necessary training data would allow the adoption of deep learning to even the smallest of applications. Chroma keying is the process of replacing a color (usually blue or green) with another background. Instead of chroma keying, we propose luminance keying for fast and straightforward training image acquisition. We deploy a black screen with high light absorption (99.99\%) to record roughly 1-minute long videos of our target objects, circumventing typical problems of chroma keying, such as color bleeding or color overlap between background color and object color. Next we automatically mask our objects using simple brightness thresholding, saving the need for manual annotation. Finally, we automatically place the objects on random backgrounds and train a 2D object detector. We do extensive evaluation of the performance on the widely-used YCB-V object set and compare favourably to other conventional techniques such as rendering, without needing 3D meshes, materials or any other information of our target objects and in a fraction of the time needed for other approaches. Our work demonstrates highly accurate training data acquisition allowing to start training state-of-the-art networks within minutes.

We show that transformer-based large language models are computationally universal when augmented with an external memory. Any deterministic language model that conditions on strings of bounded length is equivalent to a finite automaton, hence computationally limited. However, augmenting such models with a read-write memory creates the possibility of processing arbitrarily large inputs and, potentially, simulating any algorithm. We establish that an existing large language model, Flan-U-PaLM 540B, can be combined with an associative read-write memory to exactly simulate the execution of a universal Turing machine, U_{15,2}. A key aspect of the finding is that it does not require any modification of the language model weights. Instead, the construction relies solely on designing a form of stored instruction computer that can subsequently be programmed with a specific set of prompts.

We present a set-theoretic, proof-irrelevant model for Calculus of Constructions (CC) with predicative induction and judgmental equality in Zermelo-Fraenkel set theory with an axiom for countably many inaccessible cardinals. We use Aczel's trace encoding which is universally defined for any function type, regardless of being impredicative. Direct and concrete interpretations of simultaneous induction and mutually recursive functions are also provided by extending Dybjer's interpretations on the basis of Aczel's rule sets. Our model can be regarded as a higher-order generalization of the truth-table methods. We provide a relatively simple consistency proof of type theory, which can be used as the basis for a theorem prover.

Proof-oriented programs mix computational content with proofs of program correctness. However, the human effort involved in programming and proving is still substantial, despite the use of Satisfiability Modulo Theories (SMT) solvers to automate proofs in languages such as F*. Seeking to spur research on using AI to automate the construction of proof-oriented programs, we curate a dataset of 600K lines of open-source F* programs and proofs, including software used in production systems ranging from Windows and Linux, to Python and Firefox. Our dataset includes around 32K top-level F* definitions, each representing a type-directed program and proof synthesis problem -- producing a definition given a formal specification expressed as an F* type. We provide a program-fragment checker that queries F* to check the correctness of candidate solutions. We believe this is the largest corpus of SMT-assisted program proofs coupled with a reproducible program-fragment checker. Grounded in this dataset, we investigate the use of AI to synthesize programs and their proofs in F*, with promising results. Our main finding in that the performance of fine-tuned smaller language models (such as Phi-2 or StarCoder) compare favorably with large language models (such as GPT-4), at a much lower computational cost. We also identify various type-based retrieval augmentation techniques and find that they boost performance significantly. With detailed error analysis and case studies, we identify potential strengths and weaknesses of models and techniques and suggest directions for future improvements.

Recent works have suggested that In-Context Learning (ICL) operates in dual modes, i.e. task retrieval (remember learned patterns from pre-training) and task learning (inference-time ``learning'' from demonstrations). However, disentangling these the two modes remains a challenging goal. We introduce ICL CIPHERS, a class of task reformulations based on substitution ciphers borrowed from classic cryptography. In this approach, a subset of tokens in the in-context inputs are substituted with other (irrelevant) tokens, rendering English sentences less comprehensible to human eye. However, by design, there is a latent, fixed pattern to this substitution, making it reversible. This bijective (reversible) cipher ensures that the task remains a well-defined task in some abstract sense, despite the transformations. It is a curious question if LLMs can solve ICL CIPHERS with a BIJECTIVE mapping, which requires deciphering the latent cipher. We show that LLMs are better at solving ICL CIPHERS with BIJECTIVE mappings than the NON-BIJECTIVE (irreversible) baseline, providing a novel approach to quantify ``learning'' in ICL. While this gap is small, it is consistent across the board on four datasets and six models. Finally, we examine LLMs' internal representations and identify evidence in their ability to decode the ciphered inputs.

It is crucial to automatically construct knowledge graphs (KGs) of diverse new relations to support knowledge discovery and broad applications. Previous KG construction methods, based on either crowdsourcing or text mining, are often limited to a small predefined set of relations due to manual cost or restrictions in text corpus. Recent research proposed to use pretrained language models (LMs) as implicit knowledge bases that accept knowledge queries with prompts. Yet, the implicit knowledge lacks many desirable properties of a full-scale symbolic KG, such as easy access, navigation, editing, and quality assurance. In this paper, we propose a new approach of harvesting massive KGs of arbitrary relations from pretrained LMs. With minimal input of a relation definition (a prompt and a few shot of example entity pairs), the approach efficiently searches in the vast entity pair space to extract diverse accurate knowledge of the desired relation. We develop an effective search-and-rescore mechanism for improved efficiency and accuracy. We deploy the approach to harvest KGs of over 400 new relations from different LMs. Extensive human and automatic evaluations show our approach manages to extract diverse accurate knowledge, including tuples of complex relations (e.g., "A is capable of but not good at B"). The resulting KGs as a symbolic interpretation of the source LMs also reveal new insights into the LMs' knowledge capacities.

Mathematical reasoning lies at the heart of artificial intelligence, underpinning applications in education, program verification, and research-level mathematical discovery. Mathematical competitions, in particular, present two challenging problem types: theorem proving, which requires rigorous proofs of stated conclusions, and answer construction, which involves hypothesizing and formally verifying mathematical objects. Large Language Models (LLMs) effectively generate creative candidate answers but struggle with formal verification, while symbolic provers ensure rigor but cannot efficiently handle creative conjecture generation. We introduce the Enumerate-Conjecture-Prove (ECP) framework, a modular neuro-symbolic method integrating LLM-based enumeration and pattern-driven conjecturing with formal theorem proving. We present ConstructiveBench, a dataset of 3,431 answer-construction problems in various math competitions with verified Lean formalizations. On the ConstructiveBench dataset, ECP improves the accuracy of answer construction from a Chain-of-Thought (CoT) baseline of 14.54% to 45.06% with the gpt-4.1-mini model. Moreover, combined with ECP's constructed answers, the state-of-the-art DeepSeek-Prover-V2-7B model generates correct proofs for 858 of the 3,431 constructive problems in Lean, achieving 25.01% accuracy compared to 9.86% for symbolic-only baselines. Our code and dataset are publicly available at https://github.com/JackSun200312/ECP.

Keyphrase extraction is one of the essential tasks for document understanding in NLP. While the majority of the prior works are dedicated to the formal setting, e.g., books, news or web-blogs, informal texts such as video transcripts are less explored. To address this limitation, in this work we present a novel corpus and method for keyphrase extraction from the transcripts of the videos streamed on the Behance platform. More specifically, in this work, a novel data augmentation is proposed to enrich the model with the background knowledge about the keyphrase extraction task from other domains. Extensive experiments on the proposed dataset dataset show the effectiveness of the introduced method.

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

The ultimate goal of Dataset Distillation is to synthesize a small synthetic dataset such that a model trained on this synthetic set will perform equally well as a model trained on the full, real dataset. Until now, no method of Dataset Distillation has reached this completely lossless goal, in part due to the fact that previous methods only remain effective when the total number of synthetic samples is extremely small. Since only so much information can be contained in such a small number of samples, it seems that to achieve truly loss dataset distillation, we must develop a distillation method that remains effective as the size of the synthetic dataset grows. In this work, we present such an algorithm and elucidate why existing methods fail to generate larger, high-quality synthetic sets. Current state-of-the-art methods rely on trajectory-matching, or optimizing the synthetic data to induce similar long-term training dynamics as the real data. We empirically find that the training stage of the trajectories we choose to match (i.e., early or late) greatly affects the effectiveness of the distilled dataset. Specifically, early trajectories (where the teacher network learns easy patterns) work well for a low-cardinality synthetic set since there are fewer examples wherein to distribute the necessary information. Conversely, late trajectories (where the teacher network learns hard patterns) provide better signals for larger synthetic sets since there are now enough samples to represent the necessary complex patterns. Based on our findings, we propose to align the difficulty of the generated patterns with the size of the synthetic dataset. In doing so, we successfully scale trajectory matching-based methods to larger synthetic datasets, achieving lossless dataset distillation for the very first time. Code and distilled datasets are available at https://gzyaftermath.github.io/DATM.

Large-scale datasets are essential to modern day deep learning. Advocates argue that understanding these methods requires dataset transparency (e.g. "dataset curation, motivation, composition, collection process, etc..."). However, almost no one has suggested the release of the detailed definitions and visual category examples provided to annotators - information critical to understanding the structure of the annotations present in each dataset. These labels are at the heart of public datasets, yet few datasets include the instructions that were used to generate them. We introduce a new task, Labeling Instruction Generation, to address missing publicly available labeling instructions. In Labeling Instruction Generation, we take a reasonably annotated dataset and: 1) generate a set of examples that are visually representative of each category in the dataset; 2) provide a text label that corresponds to each of the examples. We introduce a framework that requires no model training to solve this task and includes a newly created rapid retrieval system that leverages a large, pre-trained vision and language model. This framework acts as a proxy to human annotators that can help to both generate a final labeling instruction set and evaluate its quality. Our framework generates multiple diverse visual and text representations of dataset categories. The optimized instruction set outperforms our strongest baseline across 5 folds by 7.06 mAP for NuImages and 12.9 mAP for COCO.

Modern machine learning relies on datasets to develop and validate research ideas. Given the growth of publicly available data, finding the right dataset to use is increasingly difficult. Any research question imposes explicit and implicit constraints on how well a given dataset will enable researchers to answer this question, such as dataset size, modality, and domain. We operationalize the task of recommending datasets given a short natural language description of a research idea, to help people find relevant datasets for their needs. Dataset recommendation poses unique challenges as an information retrieval problem; datasets are hard to directly index for search and there are no corpora readily available for this task. To facilitate this task, we build the DataFinder Dataset which consists of a larger automatically-constructed training set (17.5K queries) and a smaller expert-annotated evaluation set (392 queries). Using this data, we compare various information retrieval algorithms on our test set and present a superior bi-encoder retriever for text-based dataset recommendation. This system, trained on the DataFinder Dataset, finds more relevant search results than existing third-party dataset search engines. To encourage progress on dataset recommendation, we release our dataset and models to the public.

Integer sequences are of central importance to the modeling of concepts admitting complete finitary descriptions. We introduce a novel view on the learning of such concepts and lay down a set of benchmarking tasks aimed at conceptual understanding by machine learning models. These tasks indirectly assess model ability to abstract, and challenge them to reason both interpolatively and extrapolatively from the knowledge gained by observing representative examples. To further aid research in knowledge representation and reasoning, we present FACT, the Finitary Abstraction Comprehension Toolkit. The toolkit surrounds a large dataset of integer sequences comprising both organic and synthetic entries, a library for data pre-processing and generation, a set of model performance evaluation tools, and a collection of baseline model implementations, enabling the making of the future advancements with ease.

We introduce a new type of programming challenge called programming puzzles, as an objective and comprehensive evaluation of program synthesis, and release an open-source dataset of Python Programming Puzzles (P3). Each puzzle is defined by a short Python program f, and the goal is to find an input which makes f return True. The puzzles are objective in that each one is specified entirely by the source code of its verifier f, so evaluating f is all that is needed to test a candidate solution. They do not require an answer key or input/output examples, nor do they depend on natural language understanding. The dataset is comprehensive in that it spans problems of a range of difficulties and domains, ranging from trivial string manipulation problems, to classic programming puzzles (e.g., Tower of Hanoi), to interview/competitive-programming problems (e.g., dynamic programming), to longstanding open problems in algorithms and mathematics (e.g., factoring). We develop baseline enumerative program synthesis, GPT-3 and Codex solvers that are capable of solving puzzles -- even without access to any reference solutions -- by learning from their own past solutions. Codex performs best, solving up to 18% of 397 test problems with a single try and 80% of the problems with 1,000 tries per problem. In a small user study, we find a positive correlation between puzzle-solving performance and coding experience, and between the puzzle difficulty for humans and AI solvers. Therefore, further improvements on P3 could have a significant impact on many program synthesis areas.

Large language models (LLMs) have shown great potential in complex reasoning tasks, yet their performance is often hampered by the scarcity of high-quality, reasoning-focused training datasets. Addressing this challenge, we propose Key-Point-Driven Data Synthesis (KPDDS), a novel data synthesis framework that synthesizes question-answer pairs by leveraging key points and exemplar pairs from authentic data sources. KPDDS ensures the generation of novel questions with rigorous quality control and substantial scalability. As a result, we present KPMath, the most extensive synthetic dataset tailored for mathematical reasoning to date, comprising over one million question-answer pairs. Utilizing KPMath and augmenting it with additional reasoning-intensive corpora, we create the comprehensive KPMath-Plus dataset. Fine-tuning the Mistral-7B model on KPMath-Plus yields a zero-shot PASS@1 accuracy of 39.3% on the MATH test set, a performance that not only outpaces other finetuned 7B models but also exceeds that of certain 34B models. Our ablation studies further confirm the substantial enhancement in mathematical reasoning across various subtopics, marking a significant stride in LLMs' reasoning capabilities.

We introduce a method for composing object-level visual prompts within a text-to-image diffusion model. Our approach addresses the task of generating semantically coherent compositions across diverse scenes and styles, similar to the versatility and expressiveness offered by text prompts. A key challenge in this task is to preserve the identity of the objects depicted in the input visual prompts, while also generating diverse compositions across different images. To address this challenge, we introduce a new KV-mixed cross-attention mechanism, in which keys and values are learned from distinct visual representations. The keys are derived from an encoder with a small bottleneck for layout control, whereas the values come from a larger bottleneck encoder that captures fine-grained appearance details. By mixing keys and values from these complementary sources, our model preserves the identity of the visual prompts while supporting flexible variations in object arrangement, pose, and composition. During inference, we further propose object-level compositional guidance to improve the method's identity preservation and layout correctness. Results show that our technique produces diverse scene compositions that preserve the unique characteristics of each visual prompt, expanding the creative potential of text-to-image generation.

Large Language Models (LLMs) have been widely adopted in commercial code completion engines, significantly enhancing coding efficiency and productivity. However, LLMs may generate code with quality issues that violate coding standards and best practices, such as poor code style and maintainability, even when the code is functionally correct. This necessitates additional effort from developers to improve the code, potentially negating the efficiency gains provided by LLMs. To address this problem, we propose a novel comparative prefix-tuning method for controllable high-quality code generation. Our method introduces a single, property-specific prefix that is prepended to the activations of the LLM, serving as a lightweight alternative to fine-tuning. Unlike existing methods that require training multiple prefixes, our approach trains only one prefix and leverages pairs of high-quality and low-quality code samples, introducing a sequence-level ranking loss to guide the model's training. This comparative approach enables the model to better understand the differences between high-quality and low-quality code, focusing on aspects that impact code quality. Additionally, we design a data construction pipeline to collect and annotate pairs of high-quality and low-quality code, facilitating effective training. Extensive experiments on the Code Llama 7B model demonstrate that our method improves code quality by over 100% in certain task categories, while maintaining functional correctness. We also conduct ablation studies and generalization experiments, confirming the effectiveness of our method's components and its strong generalization capability.

This paper presents a new tool learning dataset Seal-Tools, which contains self-instruct API-like tools. Seal-Tools not only offers a large number of tools, but also includes instances which demonstrate the practical application of tools. Seeking to generate data on a large scale while ensuring reliability, we propose a self-instruct method to generate tools and instances, allowing precise control over the process. Moreover, our Seal-Tools contains hard instances that call multiple tools to complete the job, among which some are nested tool callings. For precise and comprehensive evaluation, we use strict format control and design three metrics from different dimensions. Therefore, Seal-Tools can serve as a new benchmark to evaluate the tool-calling ability of LLMs. Finally, we evaluate several prevalent LLMs and our finetuned model on Seal-Tools. The results show that current systems are far from perfect. The code, data and experiment results are available at https://github.com/fairyshine/Seal-Tools .

Large Language Models (LLMs) have exhibited impressive proficiency in various natural language processing (NLP) tasks, which involve increasingly complex reasoning. Knowledge reasoning, a primary type of reasoning, aims at deriving new knowledge from existing one.While it has been widely studied in the context of knowledge graphs (KGs), knowledge reasoning in LLMs remains underexplored. In this paper, we introduce Chain-of-Knowledge, a comprehensive framework for knowledge reasoning, including methodologies for both dataset construction and model learning. For dataset construction, we create KnowReason via rule mining on KGs. For model learning, we observe rule overfitting induced by naive training. Hence, we enhance CoK with a trial-and-error mechanism that simulates the human process of internal knowledge exploration. We conduct extensive experiments with KnowReason. Our results show the effectiveness of CoK in refining LLMs in not only knowledge reasoning, but also general reasoning benchmarkms.

We contribute to the study of formal languages that can be recognized by transformer encoders. We focus on two self-attention mechanisms: (1) UHAT (Unique Hard Attention Transformers) and (2) AHAT (Average Hard Attention Transformers). UHAT encoders are known to recognize only languages inside the circuit complexity class {sf AC}^0, i.e., accepted by a family of poly-sized and depth-bounded boolean circuits with unbounded fan-ins. On the other hand, AHAT encoders can recognize languages outside {sf AC}^0), but their expressive power still lies within the bigger circuit complexity class {sf TC}^0, i.e., {sf AC}^0-circuits extended by majority gates. We first show a negative result that there is an {sf AC}^0-language that cannot be recognized by an UHAT encoder. On the positive side, we show that UHAT encoders can recognize a rich fragment of {sf AC}^0-languages, namely, all languages definable in first-order logic with arbitrary unary numerical predicates. This logic, includes, for example, all regular languages from {sf AC}^0. We then show that AHAT encoders can recognize all languages of our logic even when we enrich it with counting terms. We apply these results to derive new results on the expressive power of UHAT and AHAT up to permutation of letters (a.k.a. Parikh images).

Conventional Knowledge Graph Construction (KGC) approaches typically follow the static information extraction paradigm with a closed set of pre-defined schema. As a result, such approaches fall short when applied to dynamic scenarios or domains, whereas a new type of knowledge emerges. This necessitates a system that can handle evolving schema automatically to extract information for KGC. To address this need, we propose a new task called schema-adaptable KGC, which aims to continually extract entity, relation, and event based on a dynamically changing schema graph without re-training. We first split and convert existing datasets based on three principles to build a benchmark, i.e., horizontal schema expansion, vertical schema expansion, and hybrid schema expansion; then investigate the schema-adaptable performance of several well-known approaches such as Text2Event, TANL, UIE and GPT-3.5. We further propose a simple yet effective baseline dubbed AdaKGC, which contains schema-enriched prefix instructor and schema-conditioned dynamic decoding to better handle evolving schema. Comprehensive experimental results illustrate that AdaKGC can outperform baselines but still have room for improvement. We hope the proposed work can deliver benefits to the community. Code and datasets will be available in https://github.com/zjunlp/AdaKGC.

The deployment of large language models (LLMs) is often hindered by the extensive memory requirements of the Key-Value (KV) cache, especially as context lengths increase. Existing approaches to reduce the KV cache size involve either fine-tuning the model to learn a compression strategy or leveraging attention scores to reduce the sequence length. We analyse the attention distributions in decoder-only Transformers-based models and observe that attention allocation patterns stay consistent across most layers. Surprisingly, we find a clear correlation between the L_2 and the attention scores over cached KV pairs, where a low L_2 of a key embedding usually leads to a high attention score during decoding. This finding indicates that the influence of a KV pair is potentially determined by the key embedding itself before being queried. Based on this observation, we compress the KV cache based on the L_2 of key embeddings. Our experimental results show that this simple strategy can reduce the KV cache size by 50% on language modelling and needle-in-a-haystack tasks and 90% on passkey retrieval tasks without losing accuracy.

Keyphrase Prediction (KP) task aims at predicting several keyphrases that can summarize the main idea of the given document. Mainstream KP methods can be categorized into purely generative approaches and integrated models with extraction and generation. However, these methods either ignore the diversity among keyphrases or only weakly capture the relation across tasks implicitly. In this paper, we propose UniKeyphrase, a novel end-to-end learning framework that jointly learns to extract and generate keyphrases. In UniKeyphrase, stacked relation layer and bag-of-words constraint are proposed to fully exploit the latent semantic relation between extraction and generation in the view of model structure and training process, respectively. Experiments on KP benchmarks demonstrate that our joint approach outperforms mainstream methods by a large margin.

In disentangled representation learning, a model is asked to tease apart a dataset's underlying sources of variation and represent them independently of one another. Since the model is provided with no ground truth information about these sources, inductive biases take a paramount role in enabling disentanglement. In this work, we construct an inductive bias towards encoding to and decoding from an organized latent space. Concretely, we do this by (i) quantizing the latent space into discrete code vectors with a separate learnable scalar codebook per dimension and (ii) applying strong model regularization via an unusually high weight decay. Intuitively, the latent space design forces the encoder to combinatorially construct codes from a small number of distinct scalar values, which in turn enables the decoder to assign a consistent meaning to each value. Regularization then serves to drive the model towards this parsimonious strategy. We demonstrate the broad applicability of this approach by adding it to both basic data-reconstructing (vanilla autoencoder) and latent-reconstructing (InfoGAN) generative models. For reliable evaluation, we also propose InfoMEC, a new set of metrics for disentanglement that is cohesively grounded in information theory and fixes well-established shortcomings in previous metrics. Together with regularization, latent quantization dramatically improves the modularity and explicitness of learned representations on a representative suite of benchmark datasets. In particular, our quantized-latent autoencoder (QLAE) consistently outperforms strong methods from prior work in these key disentanglement properties without compromising data reconstruction.

Traditional keyphrase prediction methods predict a single set of keyphrases per document, failing to cater to the diverse needs of users and downstream applications. To bridge the gap, we introduce on-demand keyphrase generation, a novel paradigm that requires keyphrases that conform to specific high-level goals or intents. For this task, we present MetaKP, a large-scale benchmark comprising four datasets, 7500 documents, and 3760 goals across news and biomedical domains with human-annotated keyphrases. Leveraging MetaKP, we design both supervised and unsupervised methods, including a multi-task fine-tuning approach and a self-consistency prompting method with large language models. The results highlight the challenges of supervised fine-tuning, whose performance is not robust to distribution shifts. By contrast, the proposed self-consistency prompting approach greatly improves the performance of large language models, enabling GPT-4o to achieve 0.548 SemF1, surpassing the performance of a fully fine-tuned BART-base model. Finally, we demonstrate the potential of our method to serve as a general NLP infrastructure, exemplified by its application in epidemic event detection from social media.

As machine learning tasks continue to evolve, the trend has been to gather larger datasets and train increasingly larger models. While this has led to advancements in accuracy, it has also escalated computational costs to unsustainable levels. Addressing this, our work aims to strike a delicate balance between computational efficiency and model accuracy, a persisting challenge in the field. We introduce a novel method that employs core subset selection for reweighting, effectively optimizing both computational time and model performance. By focusing on a strategically selected coreset, our approach offers a robust representation, as it efficiently minimizes the influence of outliers. The re-calibrated weights are then mapped back to and propagated across the entire dataset. Our experimental results substantiate the effectiveness of this approach, underscoring its potential as a scalable and precise solution for model training.

k-Clustering in R^d (e.g., k-median and k-means) is a fundamental machine learning problem. While near-linear time approximation algorithms were known in the classical setting for a dataset with cardinality n, it remains open to find sublinear-time quantum algorithms. We give quantum algorithms that find coresets for k-clustering in R^d with O(nkd^{3/2}) query complexity. Our coreset reduces the input size from n to poly(kepsilon^{-1}d), so that existing alpha-approximation algorithms for clustering can run on top of it and yield (1 + epsilon)alpha-approximation. This eventually yields a quadratic speedup for various k-clustering approximation algorithms. We complement our algorithm with a nearly matching lower bound, that any quantum algorithm must make Omega(nk) queries in order to achieve even O(1)-approximation for k-clustering.

The rise of large language models (LLMs) for visually rich document understanding (VRDU) has kindled a need for prompt-response, document-based datasets. As annotating new datasets from scratch is labor-intensive, the existing literature has generated prompt-response datasets from available resources using simple templates. For the case of key information extraction (KIE), one of the most common VRDU tasks, past work has typically employed the template "What is the value for the {key}?". However, given the variety of questions encountered in the wild, simple and uniform templates are insufficient for creating robust models in research and industrial contexts. In this work, we present K2Q, a diverse collection of five datasets converted from KIE to a prompt-response format using a plethora of bespoke templates. The questions in K2Q can span multiple entities and be extractive or boolean. We empirically compare the performance of seven baseline generative models on K2Q with zero-shot prompting. We further compare three of these models when training on K2Q versus training on simpler templates to motivate the need of our work. We find that creating diverse and intricate KIE questions enhances the performance and robustness of VRDU models. We hope this work encourages future studies on data quality for generative model training.

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

Large Language Models (LLMs) rely on the Key-Value (KV) Cache to store token history, enabling efficient decoding of tokens. As the KV-Cache grows, it becomes a major memory and computation bottleneck, however, there is an opportunity to alleviate this bottleneck, especially because prior research has shown that only a small subset of tokens contribute meaningfully to each decoding step. A key challenge in finding these critical tokens is that they are dynamic, and heavily input query-dependent. Existing methods either risk quality by evicting tokens permanently, or retain the full KV-Cache but rely on retrieving chunks (pages) of tokens at generation, failing at dense, context-rich tasks. Additionally, many existing KV-Cache sparsity methods rely on inaccurate proxies for token importance. To address these limitations, we introduce TokenButler, a high-granularity, query-aware predictor that learns to identify these critical tokens. By training a light-weight predictor with less than 1.2% parameter overhead, TokenButler prioritizes tokens based on their contextual, predicted importance. This improves perplexity & downstream accuracy by over 8% relative to SoTA methods for estimating token importance. We evaluate TokenButler on a novel synthetic small-context co-referential retrieval task, demonstrating near-oracle accuracy. Code, models and benchmarks: https://github.com/abdelfattah-lab/TokenButler

Identifying keyphrases (KPs) from text documents is a fundamental task in natural language processing and information retrieval. Vast majority of the benchmark datasets for this task are from the scientific domain containing only the document title and abstract information. This limits keyphrase extraction (KPE) and keyphrase generation (KPG) algorithms to identify keyphrases from human-written summaries that are often very short (approx 8 sentences). This presents three challenges for real-world applications: human-written summaries are unavailable for most documents, the documents are almost always long, and a high percentage of KPs are directly found beyond the limited context of title and abstract. Therefore, we release two extensive corpora mapping KPs of ~1.3M and ~100K scientific articles with their fully extracted text and additional metadata including publication venue, year, author, field of study, and citations for facilitating research on this real-world problem.

Large-scale datasets play a fundamental role in training deep learning models. However, dataset collection is difficult in domains that involve sensitive information. Collaborative learning techniques provide a privacy-preserving solution, by enabling training over a number of private datasets that are not shared by their owners. However, recently, it has been shown that the existing collaborative learning frameworks are vulnerable to an active adversary that runs a generative adversarial network (GAN) attack. In this work, we propose a novel classification model that is resilient against such attacks by design. More specifically, we introduce a key-based classification model and a principled training scheme that protects class scores by using class-specific private keys, which effectively hide the information necessary for a GAN attack. We additionally show how to utilize high dimensional keys to improve the robustness against attacks without increasing the model complexity. Our detailed experiments demonstrate the effectiveness of the proposed technique. Source code is available at https://github.com/mbsariyildiz/key-protected-classification.

Training keyphrase generation (KPG) models require a large amount of annotated data, which can be prohibitively expensive and often limited to specific domains. In this study, we first demonstrate that large distribution shifts among different domains severely hinder the transferability of KPG models. We then propose a three-stage pipeline, which gradually guides KPG models' learning focus from general syntactical features to domain-related semantics, in a data-efficient manner. With Domain-general Phrase pre-training, we pre-train Sequence-to-Sequence models with generic phrase annotations that are widely available on the web, which enables the models to generate phrases in a wide range of domains. The resulting model is then applied in the Transfer Labeling stage to produce domain-specific pseudo keyphrases, which help adapt models to a new domain. Finally, we fine-tune the model with limited data with true labels to fully adapt it to the target domain. Our experiment results show that the proposed process can produce good-quality keyphrases in new domains and achieve consistent improvements after adaptation with limited in-domain annotated data. All code and datasets are available at https://github.com/memray/OpenNMT-kpg-release.

Language models have shown promising performance on the task of translating natural language questions into SQL queries (Text-to-SQL). However, most of the state-of-the-art (SOTA) approaches rely on powerful yet closed-source large language models (LLMs), such as ChatGPT and GPT-4, which may have the limitations of unclear model architectures, data privacy risks, and expensive inference overheads. To address the limitations, we introduce CodeS, a series of pre-trained language models with parameters ranging from 1B to 15B, specifically designed for the text-to-SQL task. CodeS is a fully open-source language model, which achieves superior accuracy with much smaller parameter sizes. This paper studies the research challenges in building CodeS. To enhance the SQL generation abilities of CodeS, we adopt an incremental pre-training approach using a specifically curated SQL-centric corpus. Based on this, we address the challenges of schema linking and rapid domain adaptation through strategic prompt construction and a bi-directional data augmentation technique. We conduct comprehensive evaluations on multiple datasets, including the widely used Spider benchmark, the newly released BIRD benchmark, robustness-diagnostic benchmarks such as Spider-DK, Spider-Syn, Spider-Realistic, and Dr.Spider, as well as two real-world datasets created for financial and academic applications. The experimental results show that our CodeS achieves new SOTA accuracy and robustness on nearly all challenging text-to-SQL benchmarks.

Crossword puzzles are popular linguistic games often used as tools to engage students in learning. Educational crosswords are characterized by less cryptic and more factual clues that distinguish them from traditional crossword puzzles. Despite there exist several publicly available clue-answer pair databases for traditional crosswords, educational clue-answer pairs datasets are missing. In this article, we propose a methodology to build educational clue generation datasets that can be used to instruct Large Language Models (LLMs). By gathering from Wikipedia pages informative content associated with relevant keywords, we use Large Language Models to automatically generate pedagogical clues related to the given input keyword and its context. With such an approach, we created clue-instruct, a dataset containing 44,075 unique examples with text-keyword pairs associated with three distinct crossword clues. We used clue-instruct to instruct different LLMs to generate educational clues from a given input content and keyword. Both human and automatic evaluations confirmed the quality of the generated clues, thus validating the effectiveness of our approach.

Recurrent large language models that compete with Transformers in language modeling perplexity are emerging at a rapid rate (e.g., Mamba, RWKV). Excitingly, these architectures use a constant amount of memory during inference. However, due to the limited memory, recurrent LMs cannot recall and use all the information in long contexts leading to brittle in-context learning (ICL) quality. A key challenge for efficient LMs is selecting what information to store versus discard. In this work, we observe the order in which information is shown to the LM impacts the selection difficulty. To formalize this, we show that the hardness of information recall reduces to the hardness of a problem called set disjointness (SD), a quintessential problem in communication complexity that requires a streaming algorithm (e.g., recurrent model) to decide whether inputted sets are disjoint. We empirically and theoretically show that the recurrent memory required to solve SD changes with set order, i.e., whether the smaller set appears first in-context. Our analysis suggests, to mitigate the reliance on data order, we can put information in the right order in-context or process prompts non-causally. Towards that end, we propose: (1) JRT-Prompt, where context gets repeated multiple times in the prompt, effectively showing the model all data orders. This gives 11.0 pm 1.3 points of improvement, averaged across 16 recurrent LMs and the 6 ICL tasks, with 11.9times higher throughput than FlashAttention-2 for generation prefill (length 32k, batch size 16, NVidia H100). We then propose (2) JRT-RNN, which uses non-causal prefix-linear-attention to process prompts and provides 99% of Transformer quality at 360M params., 30B tokens and 96% at 1.3B params., 50B tokens on average across the tasks, with 19.2times higher throughput for prefill than FA2.

Keyphrase Generation (KPG) is a longstanding task in NLP with widespread applications. The advent of sequence-to-sequence (seq2seq) pre-trained language models (PLMs) has ushered in a transformative era for KPG, yielding promising performance improvements. However, many design decisions remain unexplored and are often made arbitrarily. This paper undertakes a systematic analysis of the influence of model selection and decoding strategies on PLM-based KPG. We begin by elucidating why seq2seq PLMs are apt for KPG, anchored by an attention-driven hypothesis. We then establish that conventional wisdom for selecting seq2seq PLMs lacks depth: (1) merely increasing model size or performing task-specific adaptation is not parameter-efficient; (2) although combining in-domain pre-training with task adaptation benefits KPG, it does partially hinder generalization. Regarding decoding, we demonstrate that while greedy search achieves strong F1 scores, it lags in recall compared with sampling-based methods. Based on these insights, we propose DeSel, a likelihood-based decode-select algorithm for seq2seq PLMs. DeSel improves greedy search by an average of 4.7% semantic F1 across five datasets. Our collective findings pave the way for deeper future investigations into PLM-based KPG.

The rise of capabilities expressed by large language models has been quickly followed by the integration of the same complex systems into application level logic. Algorithms, programs, systems, and companies are built around structured prompting to black box models where the majority of the design and implementation lies in capturing and quantifying the `agent mode'. The standard way to shape a closed language model is to prime it for a specific task with a tailored prompt, often initially handwritten by a human. The textual prompts co-evolve with the codebase, taking shape over the course of project life as artifacts which must be reviewed and maintained, just as the traditional code files might be. Unlike traditional code, we find that prompts do not receive effective static testing and linting to prevent runtime issues. In this work, we present a novel dataset called PromptSet, with more than 61,000 unique developer prompts used in open source Python programs. We perform analysis on this dataset and introduce the notion of a static linter for prompts. Released with this publication is a HuggingFace dataset and a Github repository to recreate collection and processing efforts, both under the name pisterlabs/promptset.

JSON Schema is an important, evolving standard schema language for families of JSON documents. It is based on a complex combination of structural and Boolean assertions, and features negation and recursion. The static analysis of JSON Schema documents comprises practically relevant problems, including schema satisfiability, inclusion, and equivalence. These three problems can be reduced to witness generation: given a schema, generate an element of the schema, if it exists, and report failure otherwise. Schema satisfiability, inclusion, and equivalence have been shown to be decidable, by reduction to reachability in alternating tree automata. However, no witness generation algorithm has yet been formally described. We contribute a first, direct algorithm for JSON Schema witness generation. We study its effectiveness and efficiency, in experiments over several schema collections, including thousands of real-world schemas. Our focus is on the completeness of the language, where we only exclude the uniqueItems operator, and on the ability of the algorithm to run in a reasonable time on a large set of real-world examples, despite the exponential complexity of the underlying problem.

The increasing size of the Key-Value (KV) cache during the Large Language Models long-context inference is the main obstacle for its balance between the deployment cost and task accuracy. To reduce the KV cache size in such scenarios, most previous efforts leveraged on the attention weight to evict non-critical cache tokens. But there is a trade-off in those methods, they usually require major modifiation of the inference infrastructure and significant computation overhead. Base on the fact that the Large Lanuage models are autoregresssive models, we propose {\it LagKV}, a KV allocation strategy only relying on straight forward comparison among KV themself. It is a totally attention free method which offers easy integration to the main stream inference platform and comparable performance comparing to other complicated KV compression methods. Results on LongBench and PasskeyRetrieval show that, our approach achieves nearly zero loss when the ratio is 2times and approx 90% of the original model performance for 8times. Especially in the 64-digit passkey retrieval task, our mehod outperforms the attention weight based method H_2O over 60% with same compression ratios. Our code is available at https://github.com/AI-Lab-China-Merchants-Bank/LagKV.

The size of the key-value (KV) cache plays a critical role in determining both the maximum context length and the number of concurrent requests supported during inference in modern language models. The KV cache size grows proportionally with the number of attention heads and the tokens processed, leading to increased memory consumption and slower inference for long inputs. In this work, we explore the use of MixAttention, a model architecture modification closely related to a blog published by Character.AI. MixAttention combines sliding window attention, where only a small subset of recent tokens is stored in the KV cache, with KV cache sharing across layers. Our experiments demonstrate that MixAttention significantly reduces memory usage and improves inference speed without sacrificing model performance in both short and long-context tasks. We also explore various configurations of this architecture, identifying those that maintain quality across evaluation metrics while optimizing resource efficiency.

Language model (LM) decoding is based on the next-token prediction (NTP) probability distribution. For neural LMs (e.g., Transformer-based), NTP distribution is essentially a softmax-regularized dot product between an encoded input context (query) and fixed vocabulary representations (keys). In this paper, we study the effect of the key distribution on the NTP distribution, with a focus on whether the similarity between keys will trigger spurious correlations in NTP. Through knowledge-probing tasks, we show that in the NTP distribution, the few top-ranked tokens are typically accurate. However, the middle-ranked prediction is highly biased towards the tokens that are distributionally (not necessarily semantically) similar to these top ones. For instance, if "P" is predicted as the top-1 token, "A"-"Z" will all be ranked high in NTP, no matter whether they can lead to correct decoding results. This hurts the sampling diversity and makes the sampling of correct, long-tail results hopeless and noisy. We attempt to alleviate this issue via a novel in-context method that iteratively pushes the query representation away from explored regions. Specifically, we include the explored decoding results in the context and prompt the LM to generate something else, which encourages the LM to produce a query representation that has small dot products with explored keys. Experiments on knowledge-probing tasks show that our method leads to efficient navigation away from explored keys to correct new keys. We further extend our method to open-ended and chain-of-thought (for reasoning) generation. Experiment results show that ICN contributes to better generation diversity and improved self-consistency voting performance. Finally, we discuss potential training issues caused by the fixed key space together with the challenges and possible ways to address them in future research.

Training machine learning approaches for vulnerability identification and producing reliable tools to assist developers in implementing quality software -- free of vulnerabilities -- is challenging due to the lack of large datasets and real data. Researchers have been looking at these issues and building datasets. However, these datasets usually miss natural language artifacts and programming language diversity. We scraped the entire CVE details database for GitHub references and augmented the data with 3 security-related datasets. We used the data to create a ground-truth dataset of natural language artifacts (such as commit messages, commits comments, and summaries), meta-data and code changes. Our dataset integrates a total of 8057 security-relevant commits -- the equivalent to 5942 security patches -- from 1339 different projects spanning 146 different types of vulnerabilities and 20 languages. A dataset of 110k non-security-related commits is also provided. Data and scripts are all available on GitHub. Data is stored in a .CSV file. Codebases can be downloaded using our scripts. Our dataset is a valuable asset to answer research questions on different topics such as the identification of security-relevant information using NLP models; software engineering and security best practices; and, vulnerability detection and patching; and, security program analysis.

Language-molecule models have emerged as an exciting direction for molecular discovery and understanding. However, training these models is challenging due to the scarcity of molecule-language pair datasets. At this point, datasets have been released which are 1) small and scraped from existing databases, 2) large but noisy and constructed by performing entity linking on the scientific literature, and 3) built by converting property prediction datasets to natural language using templates. In this document, we detail the L+M-24 dataset, which has been created for the Language + Molecules Workshop shared task at ACL 2024. In particular, L+M-24 is designed to focus on three key benefits of natural language in molecule design: compositionality, functionality, and abstraction.

During inference for transformer-based large language models (LLM), prefilling is the computation of the key-value (KV) cache for input tokens in the prompt prior to autoregressive generation. For longer input prompt lengths, prefilling will incur a significant overhead on decoding time. In this work, we highlight the following pitfall of prefilling: for batches containing high-varying prompt lengths, significant computation is wasted by the standard practice of padding sequences to the maximum length. As LLMs increasingly support longer context lengths, potentially up to 10 million tokens, variations in prompt lengths within a batch become more pronounced. To address this, we propose Prepacking, a simple yet effective method to optimize prefilling computation. To avoid redundant computation on pad tokens, prepacking combines prompts of varying lengths into a sequence and packs multiple sequences into a compact batch using a bin-packing algorithm. It then modifies the attention mask and positional encoding to compute multiple prefilled KV-caches for multiple prompts within a single sequence. On standard curated dataset containing prompts with varying lengths, we obtain a significant speed and memory efficiency improvements as compared to the default padding-based prefilling computation within Huggingface across a range of base model configurations and inference serving scenarios.

We consider the task of mapping pseudocode to long programs that are functionally correct. Given test cases as a mechanism to validate programs, we search over the space of possible translations of the pseudocode to find a program that passes the validation. However, without proper credit assignment to localize the sources of program failures, it is difficult to guide search toward more promising programs. We propose to perform credit assignment based on signals from compilation errors, which constitute 88.7% of program failures. Concretely, we treat the translation of each pseudocode line as a discrete portion of the program, and whenever a synthesized program fails to compile, an error localization method tries to identify the portion of the program responsible for the failure. We then focus search over alternative translations of the pseudocode for those portions. For evaluation, we collected the SPoC dataset (Search-based Pseudocode to Code) containing 18,356 programs with human-authored pseudocode and test cases. Under a budget of 100 program compilations, performing search improves the synthesis success rate over using the top-one translation of the pseudocode from 25.6% to 44.7%.

This paper introduces an information-aware quantization framework that adaptively compresses the key-value (KV) cache in large language models (LLMs). Although prior work has underscored the distinct roles of key and value cache during inference, our systematic analysis -- examining singular value distributions, spectral norms, and Frobenius norms -- reveals, for the first time, that key matrices consistently exhibit higher norm values and are more sensitive to quantization than value matrices. Furthermore, our theoretical analysis shows that matrices with higher spectral norms amplify quantization errors more significantly. Motivated by these insights, we propose a mixed-precision quantization strategy, KV-AdaQuant, which allocates more bit-width for keys and fewer for values since key matrices have higher norm values. With the same total KV bit budget, this approach effectively mitigates error propagation across transformer layers while achieving significant memory savings. Our extensive experiments on multiple LLMs (1B--70B) demonstrate that our mixed-precision quantization scheme maintains high model accuracy even under aggressive compression. For instance, using 4-bit for Key and 2-bit for Value achieves an accuracy of 75.2%, whereas reversing the assignment (2-bit for Key and 4-bit for Value) yields only 54.7% accuracy. The code is available at https://tinyurl.com/kv-adaquant

Instruction tuning has achieved unprecedented success in NLP, turning large language models into versatile chatbots. However, the increasing variety and volume of instruction datasets demand significant computational resources. To address this, it is essential to extract a small and highly informative subset (i.e., Coreset) that achieves comparable performance to the full dataset. Achieving this goal poses non-trivial challenges: 1) data selection requires accurate data representations that reflect the training samples' quality, 2) considering the diverse nature of instruction datasets, and 3) ensuring the efficiency of the coreset selection algorithm for large models. To address these challenges, we propose Task-Agnostic Gradient Clustered COreset Selection (TAGCOS). Specifically, we leverage sample gradients as the data representations, perform clustering to group similar data, and apply an efficient greedy algorithm for coreset selection. Experimental results show that our algorithm, selecting only 5% of the data, surpasses other unsupervised methods and achieves performance close to that of the full dataset.

Generative Knowledge Graph Construction (KGC) refers to those methods that leverage the sequence-to-sequence framework for building knowledge graphs, which is flexible and can be adapted to widespread tasks. In this study, we summarize the recent compelling progress in generative knowledge graph construction. We present the advantages and weaknesses of each paradigm in terms of different generation targets and provide theoretical insight and empirical analysis. Based on the review, we suggest promising research directions for the future. Our contributions are threefold: (1) We present a detailed, complete taxonomy for the generative KGC methods; (2) We provide a theoretical and empirical analysis of the generative KGC methods; (3) We propose several research directions that can be developed in the future.

We study the memorization power of feedforward ReLU neural networks. We show that such networks can memorize any N points that satisfy a mild separability assumption using Oleft(Nright) parameters. Known VC-dimension upper bounds imply that memorizing N samples requires Omega(N) parameters, and hence our construction is optimal up to logarithmic factors. We also give a generalized construction for networks with depth bounded by 1 leq L leq N, for memorizing N samples using O(N/L) parameters. This bound is also optimal up to logarithmic factors. Our construction uses weights with large bit complexity. We prove that having such a large bit complexity is both necessary and sufficient for memorization with a sub-linear number of parameters.

The objective of pre-trained language models is to learn contextual representations of textual data. Pre-trained language models have become mainstream in natural language processing and code modeling. Using probes, a technique to study the linguistic properties of hidden vector spaces, previous works have shown that these pre-trained language models encode simple linguistic properties in their hidden representations. However, none of the previous work assessed whether these models encode the whole grammatical structure of a programming language. In this paper, we prove the existence of a syntactic subspace, lying in the hidden representations of pre-trained language models, which contain the syntactic information of the programming language. We show that this subspace can be extracted from the models' representations and define a novel probing method, the AST-Probe, that enables recovering the whole abstract syntax tree (AST) of an input code snippet. In our experimentations, we show that this syntactic subspace exists in five state-of-the-art pre-trained language models. In addition, we highlight that the middle layers of the models are the ones that encode most of the AST information. Finally, we estimate the optimal size of this syntactic subspace and show that its dimension is substantially lower than those of the models' representation spaces. This suggests that pre-trained language models use a small part of their representation spaces to encode syntactic information of the programming languages.

We examine how transformers cope with two challenges: learning basic integer arithmetic, and generalizing to longer sequences than seen during training. We find that relative position embeddings enable length generalization for simple tasks, such as addition: models trained on 5-digit numbers can perform 15-digit sums. However, this method fails for multiplication, and we propose train set priming: adding a few (10 to 50) long sequences to the training set. We show that priming allows models trained on 5-digit times 3-digit multiplications to generalize to 35times 3 examples. We also show that models can be primed for different generalization lengths, and that the priming sample size scales as the logarithm of the training set size. Finally, we discuss potential applications of priming beyond arithmetic.

We investigate the use of randomly generated data for the sake of pre-training a model. We justify this approach theoretically from the perspective of algorithmic complexity, building on recent research that shows that sequence models can be trained to approximate Solomonoff induction. We derive similar, but complementary theoretical results. We show empirically that synthetically generated data can be used to pre-train a model before the data is seen. We replicate earlier results that models trained this way show zero-shot in-context learning across a variety of datasets, and that this performance improves with scale. We extend earlier results to real-world data, and show that finetuning a model after pre-training offers faster convergence and better generalization.

Advancements in AI and natural language processing have revolutionized machine-human language interactions, with question answering (QA) systems playing a pivotal role. The knowledge base question answering (KBQA) task, utilizing structured knowledge graphs (KG), allows for handling extensive knowledge-intensive questions. However, a significant gap exists in KBQA datasets, especially for low-resource languages. Many existing construction pipelines for these datasets are outdated and inefficient in human labor, and modern assisting tools like Large Language Models (LLM) are not utilized to reduce the workload. To address this, we have designed and implemented a modern, semi-automated approach for creating datasets, encompassing tasks such as KBQA, Machine Reading Comprehension (MRC), and Information Retrieval (IR), tailored explicitly for low-resource environments. We executed this pipeline and introduced the PUGG dataset, the first Polish KBQA dataset, and novel datasets for MRC and IR. Additionally, we provide a comprehensive implementation, insightful findings, detailed statistics, and evaluation of baseline models.

In this paper we present SynKB, an open-source, automatically extracted knowledge base of chemical synthesis protocols. Similar to proprietary chemistry databases such as Reaxsys, SynKB allows chemists to retrieve structured knowledge about synthetic procedures. By taking advantage of recent advances in natural language processing for procedural texts, SynKB supports more flexible queries about reaction conditions, and thus has the potential to help chemists search the literature for conditions used in relevant reactions as they design new synthetic routes. Using customized Transformer models to automatically extract information from 6 million synthesis procedures described in U.S. and EU patents, we show that for many queries, SynKB has higher recall than Reaxsys, while maintaining high precision. We plan to make SynKB available as an open-source tool; in contrast, proprietary chemistry databases require costly subscriptions.

Pre-training Large Language Models (LLMs) on high-quality, meticulously curated datasets is widely recognized as critical for enhancing their performance and generalization capabilities. This study explores the untapped potential of Common Crawl as a comprehensive and flexible resource for pre-training LLMs, addressing both general-purpose language understanding and specialized domain knowledge. We introduce RedStone, an innovative and scalable pipeline engineered to extract and process data from Common Crawl, facilitating the creation of extensive and varied pre-training datasets. Unlike traditional datasets, which often require expensive curation and domain-specific expertise, RedStone leverages the breadth of Common Crawl to deliver datasets tailored to a wide array of domains. In this work, we exemplify its capability by constructing pre-training datasets across multiple fields, including general language understanding, code, mathematics, and question-answering tasks. The flexibility of RedStone allows for easy adaptation to other specialized domains, significantly lowering the barrier to creating valuable domain-specific datasets. Our findings demonstrate that Common Crawl, when harnessed through effective pipelines like RedStone, can serve as a rich, renewable source of pre-training data, unlocking new avenues for domain adaptation and knowledge discovery in LLMs. This work also underscores the importance of innovative data acquisition strategies and highlights the role of web-scale data as a powerful resource in the continued evolution of LLMs. RedStone code and data samples will be publicly available at https://aka.ms/redstone.

Generating texts with a large language model (LLM) consumes massive amounts of memory. Apart from the already-large model parameters, the key/value (KV) cache that holds information about previous tokens in a sequence can grow to be even larger than the model itself. This problem is exacerbated in one of the current LLM serving frameworks which reserves the maximum sequence length of memory for the KV cache to guarantee generating a complete sequence as they do not know the output sequence length. This restricts us to use a smaller batch size leading to lower GPU utilization and above all, lower throughput. We argue that designing a system with a priori knowledge of the output sequence can mitigate this problem. To this end, we propose S^{3}, which predicts the output sequence length, schedules generation queries based on the prediction to increase device resource utilization and throughput, and handle mispredictions. Our proposed method achieves 6.49times throughput over those systems that assume the worst case for the output sequence length.

In this work, we investigate a typical scenario in code generation where a developer edits existing code in real time and requests a code assistant, e.g., a large language model, to re-predict the next token or next line on the fly. Naively, the LLM needs to re-encode the entire KV cache to provide an accurate prediction. However, this process is computationally expensive, especially when the sequence length is long. Simply encoding the edited subsequence and integrating it to the original KV cache meets the temporal confusion problem, leading to significantly worse performance. We address this efficiency and accuracy trade-off by introducing \textbf{Positional \textbf{Integrity Encoding} (PIE). Building upon the rotary positional encoding, PIE first removes the rotary matrices in the Key cache that introduce temporal confusion and then reapplies the correct rotary matrices. This process ensures that positional relationships between tokens are correct and requires only a single round of matrix multiplication. We validate the effectiveness of PIE through extensive experiments on the RepoBench-C-8k dataset, utilizing DeepSeek-Coder models with 1.3B, 6.7B, and 33B parameters. Our evaluation includes three real-world coding tasks: code insertion, code deletion, and multi-place code editing. Results demonstrate that PIE reduces computational overhead by over 85% compared to the standard full recomputation approach across all model sizes and tasks while well approximating the model performance.

Augmenting large language models (LLMs) with external tools has emerged as a promising approach to solving complex problems. However, traditional methods, which finetune LLMs with tool demonstration data, can be both costly and restricted to a predefined set of tools. Recent in-context learning paradigm alleviates these issues, but the limited context length only allows for a few shots of demonstrations, leading to suboptimal understandings of the tools. Moreover, when there are numerous tools to choose from, in-context learning could completely fail to work. In this paper, we propose an alternative approach, ToolkenGPT, which combines the benefits of both sides. Our approach represents each tool as a token (toolken) and learns an embedding for it, enabling tool calls in the same way as generating a regular word token. Once a toolken is triggered, the LLM is prompted to complete arguments for the tool to execute. ToolkenGPT offers the flexibility to plug in an arbitrary number of tools by expanding the set of toolkens on the fly. In addition, it improves tool use by allowing extensive demonstration data for learning the toolken embeddings. In diverse domains, including numerical reasoning, knowledge-based question answering, and embodied plan generation, our approach effectively augments LLMs with tools and substantially outperforms various latest baselines. ToolkenGPT demonstrates the promising ability to use relevant tools from a large tool set in complex scenarios.

For an artificial creative agent, an essential driver of the search for novelty is a value function which is often provided by the system designer or users. We argue that an important barrier for progress in creativity research is the inability of these systems to develop their own notion of value for novelty. We propose a notion of knowledge-driven creativity that circumvent the need for an externally imposed value function, allowing the system to explore based on what it has learned from a set of referential objects. The concept is illustrated by a specific knowledge model provided by a deep generative autoencoder. Using the described system, we train a knowledge model on a set of digit images and we use the same model to build coherent sets of new digits that do not belong to known digit types.

Solving mathematical problems requires advanced reasoning abilities and presents notable challenges for large language models. Previous works usually synthesize data from proprietary models to augment existing datasets, followed by instruction tuning to achieve top-tier results. However, our analysis of these datasets reveals severe biases towards easy queries, with frequent failures to generate any correct response for the most challenging queries. Hypothesizing that difficult queries are crucial to learn complex reasoning, we propose Difficulty-Aware Rejection Tuning (DART), a method that allocates difficult queries more trials during the synthesis phase, enabling more extensive training on difficult samples. Utilizing DART, we have created new datasets for mathematical problem-solving that focus more on difficult queries and are substantially smaller than previous ones. Remarkably, our synthesis process solely relies on a 7B-sized open-weight model, without reliance on the commonly used proprietary GPT-4. We fine-tune various base models on our datasets ranging from 7B to 70B in size, resulting in a series of strong models called DART-MATH. In comprehensive in-domain and out-of-domain evaluation on 6 mathematical benchmarks, DART-MATH outperforms vanilla rejection tuning significantly, being superior or comparable to previous arts, despite using much smaller datasets and no proprietary models. Furthermore, our results position our synthetic datasets as the most effective and cost-efficient publicly available resources for advancing mathematical problem-solving.

Dictionary learning is a branch of signal processing and machine learning that aims at finding a frame (called dictionary) in which some training data admits a sparse representation. The sparser the representation, the better the dictionary. The resulting dictionary is in general a dense matrix, and its manipulation can be computationally costly both at the learning stage and later in the usage of this dictionary, for tasks such as sparse coding. Dictionary learning is thus limited to relatively small-scale problems. In this paper, inspired by usual fast transforms, we consider a general dictionary structure that allows cheaper manipulation, and propose an algorithm to learn such dictionaries --and their fast implementation-- over training data. The approach is demonstrated experimentally with the factorization of the Hadamard matrix and with synthetic dictionary learning experiments.

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.

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.

Large Language Models (LLMs) have demonstrated strong capabilities across various domains, with recent advancements in challenging reasoning tasks such as mathematics and programming. However, solving reasoning tasks often requires long decoding chains (of thoughts), which incur O(N) time and memory consumption, where N is the chain length. To mitigate O(N) time and memory consumption, existing sparsity-based algorithms propose retaining only the most critical token's intermediate data (i.e., key-value cache) and discarding the rest. However, these existing algorithms struggle with the ``impossible trinity'' of accuracy, time, and memory. For example, the state-of-the-art algorithm, Quest, achieves high accuracy with O(L) time but O(N) memory (L is the cache budget, L ll N). To address this issue, in this paper, we identify a new attention pattern during the decode stage of reasoning tasks, where milestone tokens (analogous to lemmas in mathematical proofs) emerge, are utilized, and then become unimportant afterward. Based on this pattern, we propose a new algorithm named RaaS that identifies and retains milestone tokens only until they are no longer needed, achieving high accuracy with O(L) time and O(L) memory complexity.

Many recent breakthroughs in machine learning have been enabled by the pre-trained foundation models. By scaling up model parameters, training data, and computation resources, foundation models have significantly advanced the state-of-the-art in many applications. However, it is still an open question of how to use these models to perform downstream tasks efficiently. Knowledge distillation (KD) has been explored to tackle this challenge. KD transfers knowledge from a large teacher model to a smaller student model. While KD has been successful in improving student model performance, recent research has discovered that a powerful teacher does not necessarily lead to a powerful student, due to their huge capacity gap. In addition, the potential distribution shifts between the pre-training data and downstream tasks can make knowledge transfer in KD sub-optimal for improving downstream task performance. In this paper, we extend KD with an interactive communication process to help students of downstream tasks learn effectively from pre-trained foundation models. Our design is inspired by the way humans learn from teachers who can explain knowledge in a way that meets the students' needs. Specifically, we let each model (i.e., student and teacher) train two components: (1) an encoder encoding the model's hidden states to a message and (2) a decoder decoding any messages to its own hidden states. With encoder and decoder, not only can the teacher transfer rich information by encoding its hidden states, but also the student can send messages with information of downstream tasks to the teacher. Therefore, knowledge passing from teacher to student can be tailored to the student's capacity and downstream tasks' distributions. We conducted experiments on benchmark datasets to show that our communication mechanism outperforms state-of-the-art distillation techniques.

This paper addresses the problem of formalizing and quantifying the concept of "intensional inheritance" between two concepts. We begin by conceiving the intensional inheritance of W from F as the amount of information the proposition "x is F " provides about the proposition "x is W. To flesh this out, we consider concepts F and W defined by sets of properties left{F_{1}, F_{2}, ldots, F_{n}right} and left{W_{1}, W_{2}, ldots, W_{m}right} with associated degrees left{d_{1}, d_{2}, ldots, d_{n}right} and left{e_{1}, e_{2}, ldots, e_{m}right}, respectively, where the properties may overlap. We then derive formulas for the intensional inheritance using both Shannon information theory and algorithmic information theory, incorporating interaction information among properties. We examine a special case where all properties are mutually exclusive and calculate the intensional inheritance in this case in both frameworks. We also derive expressions for P(W mid F) based on the mutual information formula. Finally we consider the relationship between intensional inheritance and conventional set-theoretic "extensional" inheritance, concluding that in our information-theoretic framework, extensional inheritance emerges as a special case of intensional inheritance.

Unsupervised keyphrase prediction has gained growing interest in recent years. However, existing methods typically rely on heuristically defined importance scores, which may lead to inaccurate informativeness estimation. In addition, they lack consideration for time efficiency. To solve these problems, we propose ERU-KG, an unsupervised keyphrase generation (UKG) model that consists of an informativeness and a phraseness module. The former estimates the relevance of keyphrase candidates, while the latter generate those candidates. The informativeness module innovates by learning to model informativeness through references (e.g., queries, citation contexts, and titles) and at the term-level, thereby 1) capturing how the key concepts of documents are perceived in different contexts and 2) estimating informativeness of phrases more efficiently by aggregating term informativeness, removing the need for explicit modeling of the candidates. ERU-KG demonstrates its effectiveness on keyphrase generation benchmarks by outperforming unsupervised baselines and achieving on average 89\% of the performance of a supervised model for top 10 predictions. Additionally, to highlight its practical utility, we evaluate the model on text retrieval tasks and show that keyphrases generated by ERU-KG are effective when employed as query and document expansions. Furthermore, inference speed tests reveal that ERU-KG is the fastest among baselines of similar model sizes. Finally, our proposed model can switch between keyphrase generation and extraction by adjusting hyperparameters, catering to diverse application requirements.

Motivated by the problem of fast processing of attention matrices, we study fast algorithms for computing matrix-vector products for asymmetric Gaussian Kernel matrices Kin R^{ntimes n}. K's columns are indexed by a set of n keys k_1,k_2ldots, k_nin R^d, rows by a set of n queries q_1,q_2,ldots,q_nin R^d , and its i,j entry is K_{ij} = e^{-|q_i-k_j|_2^2/2sigma^2} for some bandwidth parameter sigma>0. Given a vector xin R^n and error parameter epsilon>0, our task is to output a yin R^n such that |Kx-y|_2leq epsilon |x|_2 in time subquadratic in n and linear in d. Our algorithms rely on the following modelling assumption about the matrices K: the sum of the entries of K scales linearly in n, as opposed to worst case quadratic growth. We validate this assumption experimentally, for Gaussian kernel matrices encountered in various settings such as fast attention computation in LLMs. We obtain the first subquadratic-time algorithm that works under this assumption, for unrestricted vectors.

This paper shows how to construct knowledge graphs (KGs) from pre-trained language models (e.g., BERT, GPT-2/3), without human supervision. Popular KGs (e.g, Wikidata, NELL) are built in either a supervised or semi-supervised manner, requiring humans to create knowledge. Recent deep language models automatically acquire knowledge from large-scale corpora via pre-training. The stored knowledge has enabled the language models to improve downstream NLP tasks, e.g., answering questions, and writing code and articles. In this paper, we propose an unsupervised method to cast the knowledge contained within language models into KGs. We show that KGs are constructed with a single forward pass of the pre-trained language models (without fine-tuning) over the corpora. We demonstrate the quality of the constructed KGs by comparing to two KGs (Wikidata, TAC KBP) created by humans. Our KGs also provide open factual knowledge that is new in the existing KGs. Our code and KGs will be made publicly available.

Combinatorial optimization (CO) is naturally discrete, making machine learning based on differentiable optimization inapplicable. Karalias & Loukas (2020) adapted the probabilistic method to incorporate CO into differentiable optimization. Their work ignited the research on unsupervised learning for CO, composed of two main components: probabilistic objectives and derandomization. However, each component confronts unique challenges. First, deriving objectives under various conditions (e.g., cardinality constraints and minimum) is nontrivial. Second, the derandomization process is underexplored, and the existing derandomization methods are either random sampling or naive rounding. In this work, we aim to tackle prevalent (i.e., commonly involved) conditions in unsupervised CO. First, we concretize the targets for objective construction and derandomization with theoretical justification. Then, for various conditions commonly involved in different CO problems, we derive nontrivial objectives and derandomization to meet the targets. Finally, we apply the derivations to various CO problems. Via extensive experiments on synthetic and real-world graphs, we validate the correctness of our derivations and show our empirical superiority w.r.t. both optimization quality and speed.

The rapid growth of dataset scales has been a key driver in advancing deep learning research. However, as dataset scale increases, the training process becomes increasingly inefficient due to the presence of low-value samples, including excessive redundant samples, overly challenging samples, and inefficient easy samples that contribute little to model improvement.To address this challenge, we propose Scale Efficient Training (SeTa) for large datasets, a dynamic sample pruning approach that losslessly reduces training time. To remove low-value samples, SeTa first performs random pruning to eliminate redundant samples, then clusters the remaining samples according to their learning difficulty measured by loss. Building upon this clustering, a sliding window strategy is employed to progressively remove both overly challenging and inefficient easy clusters following an easy-to-hard curriculum.We conduct extensive experiments on large-scale synthetic datasets, including ToCa, SS1M, and ST+MJ, each containing over 3 million samples.SeTa reduces training costs by up to 50\% while maintaining or improving performance, with minimal degradation even at 70\% cost reduction. Furthermore, experiments on various scale real datasets across various backbones (CNNs, Transformers, and Mambas) and diverse tasks (instruction tuning, multi-view stereo, geo-localization, composed image retrieval, referring image segmentation) demonstrate the powerful effectiveness and universality of our approach. Code is available at https://github.com/mrazhou/SeTa.

For a complicated algorithm, its implementation by a human programmer usually starts with outlining a rough control flow followed by iterative enrichments, eventually yielding carefully generated syntactic structures and variables in a hierarchy. However, state-of-the-art large language models generate codes in a single pass, without intermediate warm-ups to reflect the structured thought process of "outline-then-detail". Inspired by the recent success of chain-of-thought prompting, we propose ChainCoder, a program synthesis language model that generates Python code progressively, i.e. from coarse to fine in multiple passes. We first decompose source code into layout frame components and accessory components via abstract syntax tree parsing to construct a hierarchical representation. We then reform our prediction target into a multi-pass objective, each pass generates a subsequence, which is concatenated in the hierarchy. Finally, a tailored transformer architecture is leveraged to jointly encode the natural language descriptions and syntactically aligned I/O data samples. Extensive evaluations show that ChainCoder outperforms state-of-the-arts, demonstrating that our progressive generation eases the reasoning procedure and guides the language model to generate higher-quality solutions. Our codes are available at: https://github.com/VITA-Group/ChainCoder.

Despite the significant advancements in keyphrase extraction and keyphrase generation methods, the predominant approach for evaluation only relies on exact matching with human references and disregards reference-free attributes. This scheme fails to recognize systems that generate keyphrases that are semantically equivalent to the references or keyphrases that have practical utility. To better understand the strengths and weaknesses of different keyphrase systems, we propose a comprehensive evaluation framework consisting of six critical dimensions: naturalness, faithfulness, saliency, coverage, diversity, and utility. For each dimension, we discuss the desiderata and design semantic-based metrics that align with the evaluation objectives. Rigorous meta-evaluation studies demonstrate that our evaluation strategy correlates better with human preferences compared to a range of previously used metrics. Using this framework, we re-evaluate 18 keyphrase systems and further discover that (1) the best model differs in different dimensions, with pre-trained language models achieving the best in most dimensions; (2) the utility in downstream tasks does not always correlate well with reference-based metrics; and (3) large language models exhibit a strong performance in reference-free evaluation.

Prediction sets capture uncertainty by predicting sets of labels rather than individual labels, enabling downstream decisions to conservatively account for all plausible outcomes. Conformal inference algorithms construct prediction sets guaranteed to contain the true label with high probability. These guarantees fail to hold in the face of distribution shift, which is precisely when reliable uncertainty quantification can be most useful. We propose a novel algorithm for constructing prediction sets with PAC guarantees in the label shift setting. This method estimates the predicted probabilities of the classes in a target domain, as well as the confusion matrix, then propagates uncertainty in these estimates through a Gaussian elimination algorithm to compute confidence intervals for importance weights. Finally, it uses these intervals to construct prediction sets. We evaluate our approach on five datasets: the CIFAR-10, ChestX-Ray and Entity-13 image datasets, the tabular CDC Heart dataset, and the AGNews text dataset. Our algorithm satisfies the PAC guarantee while producing smaller, more informative, prediction sets compared to several baselines.

The memory and computational demands of Key-Value (KV) cache present significant challenges for deploying long-context language models. Previous approaches attempt to mitigate this issue by selectively dropping tokens, which irreversibly erases critical information that might be needed for future queries. In this paper, we propose a novel compression technique for KV cache that preserves all token information. Our investigation reveals that: i) Most attention heads primarily focus on the local context; ii) Only a few heads, denoted as retrieval heads, can essentially pay attention to all input tokens. These key observations motivate us to use separate caching strategy for attention heads. Therefore, we propose RazorAttention, a training-free KV cache compression algorithm, which maintains a full cache for these crucial retrieval heads and discards the remote tokens in non-retrieval heads. Furthermore, we introduce a novel mechanism involving a "compensation token" to further recover the information in the dropped tokens. Extensive evaluations across a diverse set of large language models (LLMs) demonstrate that RazorAttention achieves a reduction in KV cache size by over 70% without noticeable impacts on performance. Additionally, RazorAttention is compatible with FlashAttention, rendering it an efficient and plug-and-play solution that enhances LLM inference efficiency without overhead or retraining of the original model.

In standard causal attention, each token's query, key, and value (QKV) are static and encode only preceding context. We introduce CAuSal aTtention with Lookahead kEys (CASTLE), an attention mechanism that continually updates each token's keys as the context unfolds. We term these updated keys lookahead keys because they belong to earlier positions yet integrate information from tokens that appear later relative to those positions, while strictly preserving the autoregressive property. Although the mechanism appears sequential, we derive a mathematical equivalence that avoids explicitly materializing lookahead keys at each position and enables efficient parallel training. On language modeling benchmarks, CASTLE consistently outperforms standard causal attention across model scales, reducing validation perplexity and improving performance on a range of downstream tasks.

Language models are powerful tools, yet their factual knowledge is still poorly understood, and inaccessible to ad-hoc browsing and scalable statistical analysis. This demonstration introduces GPTKB v1.5, a densely interlinked 100-million-triple knowledge base (KB) built for $14,000 from GPT-4.1, using the GPTKB methodology for massive-recursive LLM knowledge materialization (Hu et al., ACL 2025). The demonstration experience focuses on three use cases: (1) link-traversal-based LLM knowledge exploration, (2) SPARQL-based structured LLM knowledge querying, (3) comparative exploration of the strengths and weaknesses of LLM knowledge. Massive-recursive LLM knowledge materialization is a groundbreaking opportunity both for the research area of systematic analysis of LLM knowledge, as well as for automated KB construction. The GPTKB demonstrator is accessible at https://gptkb.org.

A widely used strategy to discover and understand language model mechanisms is circuit analysis. A circuit is a minimal subgraph of a model's computation graph that executes a specific task. We identify a gap in existing circuit discovery methods: they assume circuits are position-invariant, treating model components as equally relevant across input positions. This limits their ability to capture cross-positional interactions or mechanisms that vary across positions. To address this gap, we propose two improvements to incorporate positionality into circuits, even on tasks containing variable-length examples. First, we extend edge attribution patching, a gradient-based method for circuit discovery, to differentiate between token positions. Second, we introduce the concept of a dataset schema, which defines token spans with similar semantics across examples, enabling position-aware circuit discovery in datasets with variable length examples. We additionally develop an automated pipeline for schema generation and application using large language models. Our approach enables fully automated discovery of position-sensitive circuits, yielding better trade-offs between circuit size and faithfulness compared to prior work.

In the era of Large Language Models (LLMs), the code summarization technique boosts a lot, along with the emergence of many new significant works. However, the potential of code summarization in the Computer Security Area still remains explored. Can we generate a code summary of a code snippet for its security intention? Thus, this work proposes an innovative large-scale multi-perspective Code Intent Summary Dataset named BADS , aiming to increase the understanding of a given code snippet and reduce the risk in the code developing process. The procedure of establishing a dataset can be divided into four steps: First, we collect samples of codes with known vulnerabilities as well as code generated by AI from multiple sources. Second, we do the data clean and format unification, then do the data combination. Third, we utilize the LLM to automatically Annotate the code snippet. Last, We do the human evaluation to double-check. The dataset contains X code examples which cover Y categories of vulnerability. Our data are from Z open-source projects and CVE entries, and compared to existing work, our dataset not only contains original code but also code function summary and security intent summary, providing context information for research in code security analysis. All information is in CSV format. The contributions of this paper are four-fold: the establishment of a high-quality, multi-perspective Code Intent Summary Dataset; an innovative method in data collection and processing; A new multi-perspective code analysis framework that promotes cross-disciplinary research in the fields of software engineering and cybersecurity; improving the practicality and scalability of the research outcomes by considering the code length limitations in real-world applications. Our dataset and related tools have been publicly released on GitHub.

In this work, we demonstrate that distinctive keys during LLM inference tend to have high attention scores. We explore this phenomenon and propose KeyDiff, a training-free KV cache eviction method based on key similarity. This method facilitates the deployment of LLM-based application requiring long input prompts in resource-constrained environments with limited memory and compute budgets. Unlike other KV cache eviction methods, KeyDiff can process arbitrarily long prompts within strict resource constraints and efficiently generate responses. We demonstrate that KeyDiff computes the optimal solution to a KV cache selection problem that maximizes key diversity, providing a theoretical understanding of KeyDiff. Notably,KeyDiff does not rely on attention scores, allowing the use of optimized attention mechanisms like FlashAttention. We demonstrate the effectiveness of KeyDiff across diverse tasks and models, illustrating a performance gap of less than 0.04\% with 8K cache budget (sim 23\% KV cache reduction) from the non-evicting baseline on the LongBench benchmark for Llama 3.1-8B and Llama 3.2-3B.

Knowledge Graph Foundation Models (KGFMs) are at the frontier for deep learning on knowledge graphs (KGs), as they can generalize to completely novel knowledge graphs with different relational vocabularies. Despite their empirical success, our theoretical understanding of KGFMs remains very limited. In this paper, we conduct a rigorous study of the expressive power of KGFMs. Specifically, we show that the expressive power of KGFMs directly depends on the motifs that are used to learn the relation representations. We then observe that the most typical motifs used in the existing literature are binary, as the representations are learned based on how pairs of relations interact, which limits the model's expressiveness. As part of our study, we design more expressive KGFMs using richer motifs, which necessitate learning relation representations based on, e.g., how triples of relations interact with each other. Finally, we empirically validate our theoretical findings, showing that the use of richer motifs results in better performance on a wide range of datasets drawn from different domains.

Large language models have an exceptional capability to incorporate new information in a contextual manner. However, the full potential of such an approach is often restrained due to a limitation in the effective context length. One solution to this issue is to endow an attention layer with access to an external memory, which comprises of (key, value) pairs. Yet, as the number of documents increases, the proportion of relevant keys to irrelevant ones decreases, leading the model to focus more on the irrelevant keys. We identify a significant challenge, dubbed the distraction issue, where keys linked to different semantic values might overlap, making them hard to distinguish. To tackle this problem, we introduce the Focused Transformer (FoT), a technique that employs a training process inspired by contrastive learning. This novel approach enhances the structure of the (key, value) space, enabling an extension of the context length. Our method allows for fine-tuning pre-existing, large-scale models to lengthen their effective context. This is demonstrated by our fine-tuning of 3B and 7B OpenLLaMA checkpoints. The resulting models, which we name LongLLaMA, exhibit advancements in tasks requiring a long context. We further illustrate that our LongLLaMA models adeptly manage a 256 k context length for passkey retrieval.

The recently released GPT-4 Code Interpreter has demonstrated remarkable proficiency in solving challenging math problems, primarily attributed to its ability to seamlessly reason with natural language, generate code, execute code, and continue reasoning based on the execution output. In this paper, we present a method to fine-tune open-source language models, enabling them to use code for modeling and deriving math equations and, consequently, enhancing their mathematical reasoning abilities. We propose a method of generating novel and high-quality datasets with math problems and their code-based solutions, referred to as MathCodeInstruct. Each solution interleaves natural language, code, and execution results. We also introduce a customized supervised fine-tuning and inference approach. This approach yields the MathCoder models, a family of models capable of generating code-based solutions for solving challenging math problems. Impressively, the MathCoder models achieve state-of-the-art scores among open-source LLMs on the MATH (45.2%) and GSM8K (83.9%) datasets, substantially outperforming other open-source alternatives. Notably, the MathCoder model not only surpasses ChatGPT-3.5 and PaLM-2 on GSM8K and MATH but also outperforms GPT-4 on the competition-level MATH dataset. The dataset and models will be released at https://github.com/mathllm/MathCoder.

Computer-aided design (CAD) tools are utilized in the manufacturing industry for modeling everything from cups to spacecraft. These programs are complex to use and typically require years of training and experience to master. Structured and well-constrained 2D sketches and 3D constructions are crucial components of CAD modeling. A well-executed CAD model can be seamlessly integrated into the manufacturing process, thereby enhancing production efficiency. Deep generative models of 3D shapes and 3D object reconstruction models have garnered significant research interest. However, most of these models produce discrete forms of 3D objects that are not editable. Moreover, the few models based on CAD operations often have substantial input restrictions. In this work, we fine-tuned pre-trained models to create OpenECAD models (0.55B, 0.89B, 2.4B and 3.1B), leveraging the visual, logical, coding, and general capabilities of visual language models. OpenECAD models can process images of 3D designs as input and generate highly structured 2D sketches and 3D construction commands, ensuring that the designs are editable. These outputs can be directly used with existing CAD tools' APIs to generate project files. To train our network, we created a series of OpenECAD datasets. These datasets are derived from existing public CAD datasets, adjusted and augmented to meet the specific requirements of vision language model (VLM) training. Additionally, we have introduced an approach that utilizes dependency relationships to define and generate sketches, further enriching the content and functionality of the datasets.

AutoML systems build machine learning models automatically by performing a search over valid data transformations and learners, along with hyper-parameter optimization for each learner. Many AutoML systems use meta-learning to guide search for optimal pipelines. In this work, we present a novel meta-learning system called KGpip which, (1) builds a database of datasets and corresponding pipelines by mining thousands of scripts with program analysis, (2) uses dataset embeddings to find similar datasets in the database based on its content instead of metadata-based features, (3) models AutoML pipeline creation as a graph generation problem, to succinctly characterize the diverse pipelines seen for a single dataset. KGpip's meta-learning is a sub-component for AutoML systems. We demonstrate this by integrating KGpip with two AutoML systems. Our comprehensive evaluation using 126 datasets, including those used by the state-of-the-art systems, shows that KGpip significantly outperforms these systems.

In order to properly train a machine learning model, data must be properly collected. To guarantee a proper data collection, verifying that the collected data set holds certain properties is a possible solution. For example, guaranteeing that the data set contains samples across the whole input space, or that the data set is balanced w.r.t. different classes. We present a formal approach for verifying a set of arbitrarily stated properties over a data set. The proposed approach relies on the transformation of the data set into a first order logic formula, which can be later verified w.r.t. the different properties also stated in the same logic. A prototype tool, which uses the z3 solver, has been developed; the prototype can take as an input a set of properties stated in a formal language and formally verify a given data set w.r.t. to the given set of properties. Preliminary experimental results show the feasibility and performance of the proposed approach, and furthermore the flexibility for expressing properties of interest.

In this article, we study the parameterized complexity of the Set Cover problem restricted to semi-ladder-free hypergraphs, a class defined by Fabianski et al. [Proceedings of STACS 2019]. We observe that two algorithms introduced by Langerman and Morin [Discrete & Computational Geometry 2005] in the context of geometric covering problems can be adapted to this setting, yielding simple FPT and kernelization algorithms for Set Cover in semi-ladder-free hypergraphs. We complement our algorithmic results with a compression lower bound for the problem, which proves the tightness of our kernelization under standard complexity-theoretic assumptions.

Formulating selective information needs results in queries that implicitly specify set operations, such as intersection, union, and difference. For instance, one might search for "shorebirds that are not sandpipers" or "science-fiction films shot in England". To study the ability of retrieval systems to meet such information needs, we construct QUEST, a dataset of 3357 natural language queries with implicit set operations, that map to a set of entities corresponding to Wikipedia documents. The dataset challenges models to match multiple constraints mentioned in queries with corresponding evidence in documents and correctly perform various set operations. The dataset is constructed semi-automatically using Wikipedia category names. Queries are automatically composed from individual categories, then paraphrased and further validated for naturalness and fluency by crowdworkers. Crowdworkers also assess the relevance of entities based on their documents and highlight attribution of query constraints to spans of document text. We analyze several modern retrieval systems, finding that they often struggle on such queries. Queries involving negation and conjunction are particularly challenging and systems are further challenged with combinations of these operations.

Efficient real-world deployments of large language models (LLMs) rely on Key-Value (KV) caching for processing and generating long outputs, reducing the need for repetitive computation. For large contexts, Key-Value caches can take up tens of gigabytes of device memory, as they store vector representations for each token and layer. Recent work has shown that the cached vectors can be compressed through quantization, pruning or merging, but these techniques often compromise quality towards higher compression rates. In this work, we aim to improve Key & Value compression by exploiting two observations: 1) the inherent dependencies between keys and values across different layers, and 2) high-compression mechanisms for internal network states. We propose AQUA-KV, an adaptive quantization for Key-Value caches that relies on compact adapters to exploit existing dependencies between Keys and Values, and aims to "optimally" compress the information that cannot be predicted. AQUA-KV significantly improves compression rates, while maintaining high accuracy on state-of-the-art LLM families. On Llama 3.2 LLMs, we achieve near-lossless inference at 2-2.5 bits per value with under 1% relative error in perplexity and LongBench scores. AQUA-KV is one-shot, simple, and efficient: it can be calibrated on a single GPU within 1-6 hours, even for 70B models.

We introduce KodCode, a synthetic dataset that addresses the persistent challenge of acquiring high-quality, verifiable training data across diverse difficulties and domains for training Large Language Models for coding. Existing code-focused resources typically fail to ensure either the breadth of coverage (e.g., spanning simple coding tasks to advanced algorithmic problems) or verifiable correctness (e.g., unit tests). In contrast, KodCode comprises question-solution-test triplets that are systematically validated via a self-verification procedure. Our pipeline begins by synthesizing a broad range of coding questions, then generates solutions and test cases with additional attempts allocated to challenging problems. Finally, post-training data synthesis is done by rewriting questions into diverse formats and generating responses under a test-based reject sampling procedure from a reasoning model (DeepSeek R1). This pipeline yields a large-scale, robust and diverse coding dataset. KodCode is suitable for supervised fine-tuning and the paired unit tests also provide great potential for RL tuning. Fine-tuning experiments on coding benchmarks (HumanEval(+), MBPP(+), BigCodeBench, and LiveCodeBench) demonstrate that KodCode-tuned models achieve state-of-the-art performance, surpassing models like Qwen2.5-Coder-32B-Instruct and DeepSeek-R1-Distill-Llama-70B.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

Natural language understanding (NLU) is an essential branch of natural language processing, which relies on representations generated by pre-trained language models (PLMs). However, PLMs primarily focus on acquiring lexico-semantic information, while they may be unable to adequately handle the meaning of constructions. To address this issue, we introduce construction grammar (CxG), which highlights the pairings of form and meaning, to enrich language representation. We adopt usage-based construction grammar as the basis of our work, which is highly compatible with statistical models such as PLMs. Then a HyCxG framework is proposed to enhance language representation through a three-stage solution. First, all constructions are extracted from sentences via a slot-constraints approach. As constructions can overlap with each other, bringing redundancy and imbalance, we formulate the conditional max coverage problem for selecting the discriminative constructions. Finally, we propose a relational hypergraph attention network to acquire representation from constructional information by capturing high-order word interactions among constructions. Extensive experiments demonstrate the superiority of the proposed model on a variety of NLU tasks.

As large language models (LLMs) continue to advance, the demand for higher quality and faster processing of long contexts across various applications is growing. KV cache is widely adopted as it stores previously generated key and value tokens, effectively reducing redundant computations during inference. However, as memory overhead becomes a significant concern, efficient compression of KV cache has gained increasing attention. Most existing methods perform compression from two perspectives: identifying important tokens and designing compression strategies. However, these approaches often produce biased distributions of important tokens due to the influence of accumulated attention scores or positional encoding. Furthermore, they overlook the sparsity and redundancy across different heads, which leads to difficulties in preserving the most effective information at the head level. To this end, we propose EMS to overcome these limitations, while achieving better KV cache compression under extreme compression ratios. Specifically, we introduce a Global-Local score that combines accumulated attention scores from both global and local KV tokens to better identify the token importance. For the compression strategy, we design an adaptive and unified Evict-then-Merge framework that accounts for the sparsity and redundancy of KV tokens across different heads. Additionally, we implement the head-wise parallel compression through a zero-class mechanism to enhance efficiency. Extensive experiments demonstrate our SOTA performance even under extreme compression ratios. EMS consistently achieves the lowest perplexity, improves scores by over 1.28 points across four LLMs on LongBench under a 256 cache budget, and preserves 95% retrieval accuracy with a cache budget less than 2% of the context length in the Needle-in-a-Haystack task.

Meta-learning has emerged as a powerful approach to train neural networks to learn new tasks quickly from limited data. Broad exposure to different tasks leads to versatile representations enabling general problem solving. But, what are the limits of meta-learning? In this work, we explore the potential of amortizing the most powerful universal predictor, namely Solomonoff Induction (SI), into neural networks via leveraging meta-learning to its limits. We use Universal Turing Machines (UTMs) to generate training data used to expose networks to a broad range of patterns. We provide theoretical analysis of the UTM data generation processes and meta-training protocols. We conduct comprehensive experiments with neural architectures (e.g. LSTMs, Transformers) and algorithmic data generators of varying complexity and universality. Our results suggest that UTM data is a valuable resource for meta-learning, and that it can be used to train neural networks capable of learning universal prediction strategies.

Code Large Language Models (Code LLMs) have emerged as powerful tools, revolutionizing the software development landscape by automating the coding process and reducing time and effort required to build applications. This paper focuses on training Code LLMs to specialize in the field of quantum computing. We begin by discussing the unique needs of quantum computing programming, which differ significantly from classical programming approaches or languages. A Code LLM specializing in quantum computing requires a foundational understanding of quantum computing and quantum information theory. However, the scarcity of available quantum code examples and the rapidly evolving field, which necessitates continuous dataset updates, present significant challenges. Moreover, we discuss our work on training Code LLMs to produce high-quality quantum code using the Qiskit library. This work includes an examination of the various aspects of the LLMs used for training and the specific training conditions, as well as the results obtained with our current models. To evaluate our models, we have developed a custom benchmark, similar to HumanEval, which includes a set of tests specifically designed for the field of quantum computing programming using Qiskit. Our findings indicate that our model outperforms existing state-of-the-art models in quantum computing tasks. We also provide examples of code suggestions, comparing our model to other relevant code LLMs. Finally, we introduce a discussion on the potential benefits of Code LLMs for quantum computing computational scientists, researchers, and practitioners. We also explore various features and future work that could be relevant in this context.

Instruction tuning is a burgeoning method to elicit the general intelligence of Large Language Models (LLMs). However, the creation of instruction data is still largely heuristic, leading to significant variation in quality and distribution across existing datasets. Experimental conclusions drawn from these datasets are also inconsistent, with some studies emphasizing the importance of scaling instruction numbers, while others argue that a limited number of samples suffice. To better understand data construction guidelines, we deepen our focus from the overall model performance to the growth of each underlying ability, such as creative writing, code generation, and logical reasoning. We systematically investigate the effects of data volume, parameter size, and data construction methods on the development of various abilities, using hundreds of model checkpoints (7b to 33b) fully instruction-tuned on a new collection of over 40k human-curated instruction data. This proposed dataset is stringently quality-controlled and categorized into ten distinct LLM abilities. Our study reveals three primary findings: (i) Despite data volume and parameter scale directly impacting models' overall performance, some abilities are more responsive to their increases and can be effectively trained using limited data, while some are highly resistant to these changes. (ii) Human-curated data strongly outperforms synthetic data from GPT-4 in efficiency and can constantly enhance model performance with volume increases, but is unachievable with synthetic data. (iii) Instruction data brings powerful cross-ability generalization, with evaluation results on out-of-domain data mirroring the first two observations. Furthermore, we demonstrate how these findings can guide more efficient data constructions, leading to practical performance improvements on public benchmarks.

Code large language models mark a pivotal breakthrough in artificial intelligence. They are specifically crafted to understand and generate programming languages, significantly boosting the efficiency of coding development workflows. In this technical report, we present CodeShell-Base, a seven billion-parameter foundation model with 8K context length, showcasing exceptional proficiency in code comprehension. By incorporating Grouped-Query Attention and Rotary Positional Embedding into GPT-2, CodeShell-Base integrates the structural merits of StarCoder and CodeLlama and forms its unique architectural design. We then carefully built a comprehensive data pre-processing process, including similar data deduplication, perplexity-based data filtering, and model-based data filtering. Through this process, We have curated 100 billion high-quality pre-training data from GitHub. Benefiting from the high-quality data, CodeShell-Base outperforms CodeLlama in Humaneval after training on just 500 billion tokens (5 epochs). We have conducted extensive experiments across multiple language datasets, including Python, Java, and C++, and the results indicate that our model possesses robust foundational capabilities in code comprehension and generation.

We take the first step to address the task of automatically generating shellcodes, i.e., small pieces of code used as a payload in the exploitation of a software vulnerability, starting from natural language comments. We assemble and release a novel dataset (Shellcode_IA32), consisting of challenging but common assembly instructions with their natural language descriptions. We experiment with standard methods in neural machine translation (NMT) to establish baseline performance levels on this task.

In infilling tasks, sub-tokens, representing instances where a complete token is segmented into two parts, often emerge at the boundaries of prefixes, middles, and suffixes. Traditional methods focused on training models at the token level, leading to sub-optimal performance in character-level infilling tasks during the inference stage. Alternately, some approaches considered character-level infilling, but they relied on predicting sub-tokens in inference, yet this strategy diminished ability in character-level infilling tasks due to the large perplexity of the model on sub-tokens. In this paper, we introduce FIM-SE, which stands for Fill-In-the-Middle with both Starting and Ending character constraints. The proposed method addresses character-level infilling tasks by utilizing a line-level format to avoid predicting any sub-token in inference. In addition, we incorporate two special tokens to signify the rest of the incomplete lines, thereby enhancing generation guidance. Extensive experiments demonstrate that our proposed approach surpasses previous methods, offering a significant advantage. Code is available at https://github.com/SenseLLM/FIM-SE.

The end-to-end nature of neural machine translation (NMT) removes many ways of manually guiding the translation process that were available in older paradigms. Recent work, however, has introduced a new capability: lexically constrained or guided decoding, a modification to beam search that forces the inclusion of pre-specified words and phrases in the output. However, while theoretically sound, existing approaches have computational complexities that are either linear (Hokamp and Liu, 2017) or exponential (Anderson et al., 2017) in the number of constraints. We present a algorithm for lexically constrained decoding with a complexity of O(1) in the number of constraints. We demonstrate the algorithms remarkable ability to properly place these constraints, and use it to explore the shaky relationship between model and BLEU scores. Our implementation is available as part of Sockeye.

Competition-level code generation tasks pose significant challenges for current state-of-the-art large language models (LLMs). For example, on the LiveCodeBench-Hard dataset, models such as O1-Mini and O1-Preview achieve pass@1 rates of only 0.366 and 0.143, respectively. While tree search techniques have proven effective in domains like mathematics and general coding, their potential in competition-level code generation remains under-explored. In this work, we propose a novel token-level tree search method specifically designed for code generation. Leveraging Qwen2.5-Coder-32B-Instruct, our approach achieves a pass rate of 0.305 on LiveCodeBench-Hard, surpassing the pass@100 performance of GPT4o-0513 (0.245). Furthermore, by integrating Chain-of-Thought (CoT) prompting, we improve our method's performance to 0.351, approaching O1-Mini's pass@1 rate. To ensure reproducibility, we report the average number of generations required per problem by our tree search method on the test set. Our findings underscore the potential of tree search to significantly enhance performance on competition-level code generation tasks. This opens up new possibilities for large-scale synthesis of challenging code problems supervised fine-tuning (SFT) data, advancing competition-level code generation tasks.

In recent times, a plethora of Large Code Generation Models (LCGMs) have been proposed, showcasing significant potential in assisting developers with complex programming tasks. Benchmarking LCGMs necessitates the creation of a set of diverse programming problems, and each problem comprises the prompt (including the task description), canonical solution, and test inputs. The existing methods for constructing such a problem set can be categorized into two main types: manual methods and perturbation-based methods. However, manual methods demand high effort and lack scalability, while also risking data integrity due to LCGMs' potentially contaminated data collection, and perturbation-based approaches mainly generate semantically homogeneous problems with the same canonical solutions and introduce typos that can be easily auto-corrected by IDE, making them ineffective and unrealistic. In this work, we propose the idea of programming problem merging (PPM) and provide two implementation of this idea, we utilize our tool on two widely-used datasets and compare it against nine baseline methods using eight code generation models. The results demonstrate the effectiveness of our tool in generating more challenging, diverse, and natural programming problems, comparing to the baselines.

Novel Class Discovery (NCD) is a growing field where we are given during training a labeled set of known classes and an unlabeled set of different classes that must be discovered. In recent years, many methods have been proposed to address this problem, and the field has begun to mature. In this paper, we provide a comprehensive survey of the state-of-the-art NCD methods. We start by formally defining the NCD problem and introducing important notions. We then give an overview of the different families of approaches, organized by the way they transfer knowledge from the labeled set to the unlabeled set. We find that they either learn in two stages, by first extracting knowledge from the labeled data only and then applying it to the unlabeled data, or in one stage by conjointly learning on both sets. For each family, we describe their general principle and detail a few representative methods. Then, we briefly introduce some new related tasks inspired by the increasing number of NCD works. We also present some common tools and techniques used in NCD, such as pseudo labeling, self-supervised learning and contrastive learning. Finally, to help readers unfamiliar with the NCD problem differentiate it from other closely related domains, we summarize some of the closest areas of research and discuss their main differences.

Multi-agent large language model (LLM) systems are increasingly adopted for complex language processing tasks that require communication and coordination among agents. However, these systems often suffer substantial overhead from repeated reprocessing of overlapping contexts across agents. In typical pipelines, once an agent receives a message from its predecessor, the full context-including prior turns-must be reprocessed from scratch, leading to inefficient processing. While key-value (KV) caching is an effective solution for avoiding redundant computation in single-agent settings where prefixes remain unchanged, it cannot be directly reused in multi-agent scenarios due to diverging prefixes introduced by agent-specific context extensions. We identify that the core challenge lies in the offset variance of KV-caches across agents. To address this, we propose KVCOMM, a training-free framework that enables efficient prefilling in multi-agent inference by reusing KV-caches and aligning cache offsets of overlapping contexts under diverse prefix contexts. KVCOMM estimates and adjusts KV-caches for shared content by referencing a pool of cached examples-termed anchors-that store observed cache deviations under varying prefixes. The anchor pool is maintained and updated online, allowing dynamic adaptation to distinct user requests and context structures. KVCOMM achieves over 70% reuse rate across diverse multi-agent workloads, including retrieval-augmented generation, math reasoning, and collaborative coding tasks, all without quality degradation. Particularly, when each fully-connected agent receives 1K input tokens with 512 prefix tokens and 512 output tokens under a five-agent setting, KVCOMM achieves up to 7.8x speedup compared to the standard prefill pipeline, reducing TTFT from ~430 ms to ~55 ms.

Despite the recent success associated with Large Language Models (LLMs), they are notably cost-prohibitive to deploy in resource-constrained environments due to their excessive memory and computational demands. In addition to model parameters, the key-value cache is also stored in GPU memory, growing linearly with batch size and sequence length. As a remedy, recent works have proposed various eviction policies for maintaining the overhead of key-value cache under a given budget. This paper embarks on the efficacy of existing eviction policies in terms of importance score calculation and eviction scope construction. We identify the deficiency of prior policies in these two aspects and introduce RoCo, a robust cache omission policy based on temporal attention scores and robustness measures. Extensive experimentation spanning prefilling and auto-regressive decoding stages validates the superiority of RoCo. Finally, we release EasyKV, a versatile software package dedicated to user-friendly key-value constrained generative inference. Code available at https://github.com/DRSY/EasyKV.

Transformers have emerged as the underpinning architecture for Large Language Models (LLMs). In generative language models, the inference process involves two primary phases: prompt processing and token generation. Token generation, which constitutes the majority of the computational workload, primarily entails vector-matrix multiplications and interactions with the Key-Value (KV) Cache. This phase is constrained by memory bandwidth due to the overhead of transferring weights and KV cache values from the memory system to the computing units. This memory bottleneck becomes particularly pronounced in applications that require long-context and extensive text generation, both of which are increasingly crucial for LLMs. This paper introduces "Keyformer", an innovative inference-time approach, to mitigate the challenges associated with KV cache size and memory bandwidth utilization. Keyformer leverages the observation that approximately 90% of the attention weight in generative inference focuses on a specific subset of tokens, referred to as "key" tokens. Keyformer retains only the key tokens in the KV cache by identifying these crucial tokens using a novel score function. This approach effectively reduces both the KV cache size and memory bandwidth usage without compromising model accuracy. We evaluate Keyformer's performance across three foundational models: GPT-J, Cerebras-GPT, and MPT, which employ various positional embedding algorithms. Our assessment encompasses a variety of tasks, with a particular emphasis on summarization and conversation tasks involving extended contexts. Keyformer's reduction of KV cache reduces inference latency by 2.1x and improves token generation throughput by 2.4x, while preserving the model's accuracy.

Reliably generating structured outputs has become a critical capability for modern language model (LM) applications. Constrained decoding has emerged as the dominant technology across sectors for enforcing structured outputs during generation. Despite its growing adoption, little has been done with the systematic evaluation of the behaviors and performance of constrained decoding. Constrained decoding frameworks have standardized around JSON Schema as a structured data format, with most uses guaranteeing constraint compliance given a schema. However, there is poor understanding of the effectiveness of the methods in practice. We present an evaluation framework to assess constrained decoding approaches across three critical dimensions: efficiency in generating constraint-compliant outputs, coverage of diverse constraint types, and quality of the generated outputs. To facilitate this evaluation, we introduce JSONSchemaBench, a benchmark for constrained decoding comprising 10K real-world JSON schemas that encompass a wide range of constraints with varying complexity. We pair the benchmark with the existing official JSON Schema Test Suite and evaluate six state-of-the-art constrained decoding frameworks, including Guidance, Outlines, Llamacpp, XGrammar, OpenAI, and Gemini. Through extensive experiments, we gain insights into the capabilities and limitations of constrained decoding on structured generation with real-world JSON schemas. Our work provides actionable insights for improving constrained decoding frameworks and structured generation tasks, setting a new standard for evaluating constrained decoding and structured generation. We release JSONSchemaBench at https://github.com/guidance-ai/jsonschemabench

We present a simple, highly modularized network architecture for image classification. Our network is constructed by repeating a building block that aggregates a set of transformations with the same topology. Our simple design results in a homogeneous, multi-branch architecture that has only a few hyper-parameters to set. This strategy exposes a new dimension, which we call "cardinality" (the size of the set of transformations), as an essential factor in addition to the dimensions of depth and width. On the ImageNet-1K dataset, we empirically show that even under the restricted condition of maintaining complexity, increasing cardinality is able to improve classification accuracy. Moreover, increasing cardinality is more effective than going deeper or wider when we increase the capacity. Our models, named ResNeXt, are the foundations of our entry to the ILSVRC 2016 classification task in which we secured 2nd place. We further investigate ResNeXt on an ImageNet-5K set and the COCO detection set, also showing better results than its ResNet counterpart. The code and models are publicly available online.

Code embedding models attract increasing attention due to the widespread popularity of retrieval-augmented generation (RAG) in software development. These models are expected to capture the rich semantic relationships inherent to code, which differ significantly from those found in text. However, existing models remain severely limited due to the scarcity of high-quality training data. In this work, we introduce CodeR (Code Retrieval), a state-of-the-art embedding model for general-purpose code retrieval. The superior performance of CodeR is built upon CodeR-Pile, a large-scale synthetic dataset constructed under the DRU (Diversity, Reliability, Usability) principle via a novel data synthesis pipeline. To optimize training effectiveness, we propose Annealing, a curriculum learning strategy that enables effective knowledge transfer across heterogeneous sources of data. We evaluate CodeR based on 16 diverse code retrieval tasks, where it significantly outperforms existing baselines and exhibits strong out-of-domain generalization performance. We have publicly released our code and the well-trained model to facilitate further research in this critical area. https://github.com/FlagOpen/FlagEmbedding/tree/master/research/BGE_Coder.

Vector Symbolic Architectures (VSAs) have emerged as a novel framework for enabling interpretable machine learning algorithms equipped with the ability to reason and explain their decision processes. The basic idea is to represent discrete information through high dimensional random vectors. Complex data structures can be built up with operations over vectors such as the "binding" operation involving element-wise vector multiplication, which associates data together. The reverse task of decomposing the associated elements is a combinatorially hard task, with an exponentially large search space. The main algorithm for performing this search is the resonator network, inspired by Hopfield network-based memory search operations. In this work, we introduce a new variant of the resonator network, based on self-attention based update rules in the iterative search problem. This update rule, based on the Hopfield network with log-sum-exp energy function and norm-bounded states, is shown to substantially improve the performance and rate of convergence. As a result, our algorithm enables a larger capacity for associative memory, enabling applications in many tasks like perception based pattern recognition, scene decomposition, and object reasoning. We substantiate our algorithm with a thorough evaluation and comparisons to baselines.

Top-k decoding is a widely used method for sampling from LLMs: at each token, only the largest k next-token-probabilities are kept, and the next token is sampled after re-normalizing them to sum to unity. Top-k and other sampling methods are motivated by the intuition that true next-token distributions are sparse, and the noisy LLM probabilities need to be truncated. However, to our knowledge, a precise theoretical motivation for the use of top-k decoding is missing. In this work, we develop a theoretical framework that both explains and generalizes top-k decoding. We view decoding at a fixed token as the recovery of a sparse probability distribution. We consider Bregman decoders obtained by minimizing a separable Bregman divergence (for both the primal and dual cases) with a sparsity-inducing ell_0 regularization. Despite the combinatorial nature of the objective, we show how to optimize it efficiently for a large class of divergences. We show that the optimal decoding strategies are greedy, and further that the loss function is discretely convex in k, so that binary search provably and efficiently finds the optimal k. We show that top-k decoding arises as a special case for the KL divergence, and identify new decoding strategies that have distinct behaviors (e.g., non-linearly up-weighting larger probabilities after re-normalization).

Dataset distillation aims to minimize the time and memory needed for training deep networks on large datasets, by creating a small set of synthetic images that has a similar generalization performance to that of the full dataset. However, current dataset distillation techniques fall short, showing a notable performance gap when compared to training on the original data. In this work, we are the first to argue that using just one synthetic subset for distillation will not yield optimal generalization performance. This is because the training dynamics of deep networks drastically change during the training. Hence, multiple synthetic subsets are required to capture the training dynamics at different phases of training. To address this issue, we propose Progressive Dataset Distillation (PDD). PDD synthesizes multiple small sets of synthetic images, each conditioned on the previous sets, and trains the model on the cumulative union of these subsets without requiring additional training time. Our extensive experiments show that PDD can effectively improve the performance of existing dataset distillation methods by up to 4.3%. In addition, our method for the first time enable generating considerably larger synthetic datasets.

As large language models (LLMs) process increasing context windows, the memory usage of KV cache has become a critical bottleneck during inference. The mainstream KV compression methods, including KV pruning and KV quantization, primarily focus on either token or precision dimension and seldom explore the efficiency of their combination. In this paper, we comprehensively investigate the token-precision trade-off in KV cache compression. Experiments demonstrate that storing more tokens in the KV cache with lower precision, i.e., quantized pruning, can significantly enhance the long-context performance of LLMs. Furthermore, in-depth analysis regarding token-precision trade-off from a series of key aspects exhibit that, quantized pruning achieves substantial improvements in retrieval-related tasks and consistently performs well across varying input lengths. Moreover, quantized pruning demonstrates notable stability across different KV pruning methods, quantization strategies, and model scales. These findings provide valuable insights into the token-precision trade-off in KV cache compression. We plan to release our code in the near future.

Dataset distillation offers a potential means to enhance data efficiency in deep learning. Recent studies have shown its ability to counteract backdoor risks present in original training samples. In this study, we delve into the theoretical aspects of backdoor attacks and dataset distillation based on kernel methods. We introduce two new theory-driven trigger pattern generation methods specialized for dataset distillation. Following a comprehensive set of analyses and experiments, we show that our optimization-based trigger design framework informs effective backdoor attacks on dataset distillation. Notably, datasets poisoned by our designed trigger prove resilient against conventional backdoor attack detection and mitigation methods. Our empirical results validate that the triggers developed using our approaches are proficient at executing resilient backdoor attacks.

Molecule generation with desired properties has grown immensely in popularity by disruptively changing the way scientists design molecular structures and providing support for chemical and materials design. However, despite the promising outcome, previous machine learning-based deep generative models suffer from a reliance on complex, task-specific fine-tuning, limited dimensional latent spaces, or the quality of expert rules. In this work, we propose MolGen, a pre-trained molecular language model that effectively learns and shares knowledge across multiple generation tasks and domains. Specifically, we pre-train MolGen with the chemical language SELFIES on more than 100 million unlabelled molecules. We further propose multi-task molecular prefix tuning across several molecular generation tasks and different molecular domains (synthetic & natural products) with a self-feedback mechanism. Extensive experiments show that MolGen can obtain superior performances on well-known molecular generation benchmark datasets. The further analysis illustrates that MolGen can accurately capture the distribution of molecules, implicitly learn their structural characteristics, and efficiently explore the chemical space with the guidance of multi-task molecular prefix tuning. Codes, datasets, and the pre-trained model will be available in https://github.com/zjunlp/MolGen.

Automata learning is a popular technique used to automatically construct an automaton model from queries. Much research went into devising ad hoc adaptations of algorithms for different types of automata. The CALF project seeks to unify these using category theory in order to ease correctness proofs and guide the design of new algorithms. In this paper, we extend CALF to cover learning of algebraic structures that may not have a coalgebraic presentation. Furthermore, we provide a detailed algorithmic account of an abstract version of the popular L* algorithm, which was missing from CALF. We instantiate the abstract theory to a large class of Set functors, by which we recover for the first time practical tree automata learning algorithms from an abstract framework and at the same time obtain new algorithms to learn algebras of quotiented polynomial functors.

Code language models have emerged as useful tools for various programming tasks, yet they often struggle when it comes to complex ones. In this paper, we explore the potential of curriculum learning in enhancing the performance of these models. While prior research has suggested that curriculum learning does not necessarily help in improving the performance of language models, our results surprisingly show that this may not be the case for code language models. We demonstrate that a well-designed curriculum learning approach significantly improves the accuracy of small decoder-only code language models on the task of code execution, while its effect on code completion is less significant. To explore the potential of curriculum learning, we train multiple GPT models with 1 million parameters each to predict the next token and evaluate them on code completion and execution tasks. Our contributions include proposing a novel code difficulty assessment metric by combining software code measures, investigating the effectiveness of Curriculum Learning for code language models, and introducing a Novel Curriculum Learning schedule that enhances the performance of small decoder-only language models in code execution tasks. The results of this paper open the door for more research on the use of curriculum learning for code language models.

We present SetExpander, a corpus-based system for expanding a seed set of terms into a more complete set of terms that belong to the same semantic class. SetExpander implements an iterative end-to end workflow for term set expansion. It enables users to easily select a seed set of terms, expand it, view the expanded set, validate it, re-expand the validated set and store it, thus simplifying the extraction of domain-specific fine-grained semantic classes. SetExpander has been used for solving real-life use cases including integration in an automated recruitment system and an issues and defects resolution system. A video demo of SetExpander is available at https://drive.google.com/open?id=1e545bB87Autsch36DjnJHmq3HWfSd1Rv (some images were blurred for privacy reasons).

Foundation models, particularly those that incorporate Transformer architectures, have demonstrated exceptional performance in domains such as natural language processing and image processing. Adapting these models to structured data, like tables, however, introduces significant challenges. These difficulties are even more pronounced when addressing multi-table data linked via foreign key, which is prevalent in the enterprise realm and crucial for empowering business use cases. Despite its substantial impact, research focusing on such linked business tables within enterprise settings remains a significantly important yet underexplored domain. To address this, we introduce a curated dataset sourced from an Enterprise Resource Planning (ERP) system, featuring extensive linked tables. This dataset is specifically designed to support research endeavors in table representation learning. By providing access to authentic enterprise data, our goal is to potentially enhance the effectiveness and applicability of models for real-world business contexts.

Construction grammar posits that children acquire constructions (form-meaning pairings) from the statistics of their environment. Recent work supports this hypothesis by showing sensitivity to constructions in pretrained language models (PLMs), including one recent study (Rozner et al., 2025) demonstrating that constructions shape the PLM's output distribution. However, models under study have generally been trained on developmentally implausible amounts of data, casting doubt on their relevance to human language learning. Here we use Rozner et al.'s methods to evaluate constructional learning in models from the 2024 BabyLM challenge. Our results show that even when trained on developmentally plausible quantities of data, models represent diverse constructions, even hard cases that are superficially indistinguishable. We further find correlational evidence that constructional performance may be functionally relevant: models that better represent constructions perform better on the BabyLM benchmarks.

In this work, we explore how to train task-specific language models aimed towards learning rich representation of keyphrases from text documents. We experiment with different masking strategies for pre-training transformer language models (LMs) in discriminative as well as generative settings. In the discriminative setting, we introduce a new pre-training objective - Keyphrase Boundary Infilling with Replacement (KBIR), showing large gains in performance (upto 8.16 points in F1) over SOTA, when the LM pre-trained using KBIR is fine-tuned for the task of keyphrase extraction. In the generative setting, we introduce a new pre-training setup for BART - KeyBART, that reproduces the keyphrases related to the input text in the CatSeq format, instead of the denoised original input. This also led to gains in performance (upto 4.33 points in F1@M) over SOTA for keyphrase generation. Additionally, we also fine-tune the pre-trained language models on named entity recognition (NER), question answering (QA), relation extraction (RE), abstractive summarization and achieve comparable performance with that of the SOTA, showing that learning rich representation of keyphrases is indeed beneficial for many other fundamental NLP tasks.

We propose a simple auto-encoder framework for molecule generation. The molecular graph is first encoded into a continuous latent representation z, which is then decoded back to a molecule. The encoding process is easy, but the decoding process remains challenging. In this work, we introduce a simple two-step decoding process. In a first step, a fully connected neural network uses the latent vector z to produce a molecular formula, for example CO_2 (one carbon and two oxygen atoms). In a second step, a graph convolutional neural network uses the same latent vector z to place bonds between the atoms that were produced in the first step (for example a double bond will be placed between the carbon and each of the oxygens). This two-step process, in which a bag of atoms is first generated, and then assembled, provides a simple framework that allows us to develop an efficient molecule auto-encoder. Numerical experiments on basic tasks such as novelty, uniqueness, validity and optimized chemical property for the 250k ZINC molecules demonstrate the performances of the proposed system. Particularly, we achieve the highest reconstruction rate of 90.5\%, improving the previous rate of 76.7\%. We also report the best property improvement results when optimization is constrained by the molecular distance between the original and generated molecules.

Directly reading documents and being able to answer questions from them is an unsolved challenge. To avoid its inherent difficulty, question answering (QA) has been directed towards using Knowledge Bases (KBs) instead, which has proven effective. Unfortunately KBs often suffer from being too restrictive, as the schema cannot support certain types of answers, and too sparse, e.g. Wikipedia contains much more information than Freebase. In this work we introduce a new method, Key-Value Memory Networks, that makes reading documents more viable by utilizing different encodings in the addressing and output stages of the memory read operation. To compare using KBs, information extraction or Wikipedia documents directly in a single framework we construct an analysis tool, WikiMovies, a QA dataset that contains raw text alongside a preprocessed KB, in the domain of movies. Our method reduces the gap between all three settings. It also achieves state-of-the-art results on the existing WikiQA benchmark.

Transformers have emerged as the prevailing standard solution for various AI tasks, including computer vision and natural language processing. The widely adopted Query, Key, and Value formulation (QKV) has played a significant role in this. Nevertheless, no research has examined the essentiality of these three components for transformer performance. Therefore, we conducted an evaluation of the key-value formulation (KV), which generates symmetric attention maps, along with an asymmetric version that incorporates a 2D positional encoding into the attention matrix. Remarkably, this transformer requires fewer parameters and computation than the original one. Through experiments encompassing three task types -- synthetics (such as reversing or sorting a list), vision (mnist or cifar classification), and NLP (character generation and translation) -- we discovered that the KV transformer occasionally outperforms the QKV transformer. However, it also exhibits instances of underperformance compared to QKV, making it challenging to draw a definitive conclusion. Nonetheless, we consider the reported results to be encouraging and anticipate that they may pave the way for more efficient transformers in the future.

A subgraph is constructed by using a subset of vertices and edges of a given graph. There exist many graph properties that are hereditary for subgraphs. Hence, researchers from different communities have paid a great deal of attention in studying numerous subgraph problems, on top of the ordinary graph problems. Many algorithms are proposed in studying subgraph problems, where one common approach is by extracting the patterns and structures of a given graph. Due to the complex structures of certain types of graphs and to improve overall performances of the existing frameworks, machine learning techniques have recently been employed in dealing with various subgraph problems. In this article, we present a comprehensive review on five well known subgraph problems that have been tackled by using machine learning methods. They are subgraph isomorphism (both counting and matching), maximum common subgraph, community detection and community search problems. We provide an outline of each proposed method, and examine its designs and performances. We also explore non-learning-based algorithms for each problem and a brief discussion is given. We then suggest some promising research directions in this area, hoping that relevant subgraph problems can be tackled by using a similar strategy. Since there is a huge growth in employing machine learning techniques in recent years, we believe that this survey will serve as a good reference point to relevant research communities.

Rotary Position Embedding (RoPE) enables each attention head to capture multi-frequency information along the sequence dimension and is widely applied in foundation models. However, the nonlinearity introduced by RoPE complicates optimization of the key state in the Key-Value (KV) cache for RoPE-based attention. Existing KV cache compression methods typically store key state before rotation and apply the transformation during decoding, introducing additional computational overhead. This paper introduces EliteKV, a flexible modification framework for RoPE-based models supporting variable KV cache compression ratios. EliteKV first identifies the intrinsic frequency preference of each head using RoPElite, selectively restoring linearity to certain dimensions of key within attention computation. Building on this, joint low-rank compression of key and value enables partial cache sharing. Experimental results show that with minimal uptraining on only 0.6% of the original training data, RoPE-based models achieve a 75% reduction in KV cache size while preserving performance within a negligible margin. Furthermore, EliteKV consistently performs well across models of different scales within the same family.

Neural networks have become an increasingly popular tool for solving many real-world problems. They are a general framework for differentiable optimization which includes many other machine learning approaches as special cases. In this thesis we build a category-theoretic formalism around a class of neural networks exemplified by CycleGAN. CycleGAN is a collection of neural networks, closed under composition, whose inductive bias is increased by enforcing composition invariants, i.e. cycle-consistencies. Inspired by Functorial Data Migration, we specify the interconnection of these networks using a categorical schema, and network instances as set-valued functors on this schema. We also frame neural network architectures, datasets, models, and a number of other concepts in a categorical setting and thus show a special class of functors, rather than functions, can be learned using gradient descent. We use the category-theoretic framework to conceive a novel neural network architecture whose goal is to learn the task of object insertion and object deletion in images with unpaired data. We test the architecture on three different datasets and obtain promising results.

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

In this paper we consider contamination by code generation test sets, in particular in their use in modern large language models. We discuss three possible sources of such contamination and show findings supporting each of them: (i) direct data leakage, (ii) indirect data leakage through the use of synthetic data and (iii) overfitting to evaluation sets during model selection. Key to our findings is a new dataset of 161 prompts with their associated python solutions, dataset which is released at https://huggingface.co/datasets/CohereForAI/lbpp .

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

Efficient Key-Value (KV) cache management is essential for processing long text sequences in large language models (LLMs), where memory constraints often limit performance. Conventional KV eviction strategies, such as top-k selection based on attention scores, depend on static heuristics that fail to capture the evolving implicit dependencies among tokens during inference. To overcome this, we propose GraphKV, a graph-based framework that redefines token selection for KV cache compression. In GraphKV, tokens are modeled as nodes with importance scores, and edges represent their similarity relationships. Through a decay-signal-propagation mechanism, token importance is dynamically updated by propagating information across the graph, enabling adaptive retention of the most contextually significant tokens. GraphKV can be seamlessly utilized in existing KV cache eviction methods such as SnapKV and PyramidKV in a plug-and-play manner. Codes will be released on Github.

Efficient long-context modeling remains a critical challenge for natural language processing (NLP), as the time complexity of the predominant Transformer architecture scales quadratically with the sequence length. While state-space models (SSMs) offer alternative sub-quadratic solutions, they struggle to capture long-range dependencies effectively. In this work, we focus on analyzing and improving the long-context modeling capabilities of SSMs. We show that the widely used synthetic task, associative recall, which requires a model to recall a value associated with a single key without context, insufficiently represents the complexities of real-world long-context modeling. To address this limitation, we extend the associative recall to a novel synthetic task, joint recall, which requires a model to recall the value associated with a key given in a specified context. Theoretically, we prove that SSMs do not have the expressiveness to solve multi-query joint recall in sub-quadratic time complexity. To resolve this issue, we propose a solution based on integrating SSMs with Context-Dependent Sparse Attention (CDSA), which has the expressiveness to solve multi-query joint recall with sub-quadratic computation. To bridge the gap between theoretical analysis and real-world applications, we propose locality-sensitive Hashing Attention with sparse Key Selection (HAX), which instantiates the theoretical solution and is further tailored to natural language domains. Extensive experiments on both synthetic and real-world long-context benchmarks show that HAX consistently outperforms SSM baselines and SSMs integrated with context-independent sparse attention (CISA).

Understanding neural networks is challenging in part because of the dense, continuous nature of their hidden states. We explore whether we can train neural networks to have hidden states that are sparse, discrete, and more interpretable by quantizing their continuous features into what we call codebook features. Codebook features are produced by finetuning neural networks with vector quantization bottlenecks at each layer, producing a network whose hidden features are the sum of a small number of discrete vector codes chosen from a larger codebook. Surprisingly, we find that neural networks can operate under this extreme bottleneck with only modest degradation in performance. This sparse, discrete bottleneck also provides an intuitive way of controlling neural network behavior: first, find codes that activate when the desired behavior is present, then activate those same codes during generation to elicit that behavior. We validate our approach by training codebook Transformers on several different datasets. First, we explore a finite state machine dataset with far more hidden states than neurons. In this setting, our approach overcomes the superposition problem by assigning states to distinct codes, and we find that we can make the neural network behave as if it is in a different state by activating the code for that state. Second, we train Transformer language models with up to 410M parameters on two natural language datasets. We identify codes in these models representing diverse, disentangled concepts (ranging from negative emotions to months of the year) and find that we can guide the model to generate different topics by activating the appropriate codes during inference. Overall, codebook features appear to be a promising unit of analysis and control for neural networks and interpretability. Our codebase and models are open-sourced at https://github.com/taufeeque9/codebook-features.

Neural models that do not rely on pre-training have excelled in the keyphrase generation task with large annotated datasets. Meanwhile, new approaches have incorporated pre-trained language models (PLMs) for their data efficiency. However, there lacks a systematic study of how the two types of approaches compare and how different design choices can affect the performance of PLM-based models. To fill in this knowledge gap and facilitate a more informed use of PLMs for keyphrase extraction and keyphrase generation, we present an in-depth empirical study. Formulating keyphrase extraction as sequence labeling and keyphrase generation as sequence-to-sequence generation, we perform extensive experiments in three domains. After showing that PLMs have competitive high-resource performance and state-of-the-art low-resource performance, we investigate important design choices including in-domain PLMs, PLMs with different pre-training objectives, using PLMs with a parameter budget, and different formulations for present keyphrases. Further results show that (1) in-domain BERT-like PLMs can be used to build strong and data-efficient keyphrase generation models; (2) with a fixed parameter budget, prioritizing model depth over width and allocating more layers in the encoder leads to better encoder-decoder models; and (3) introducing four in-domain PLMs, we achieve a competitive performance in the news domain and the state-of-the-art performance in the scientific domain.

We study the problem of optimally projecting the transition matrix of a finite ergodic multivariate Markov chain onto a lower-dimensional state space. Specifically, we seek to construct a projected Markov chain that optimizes various information-theoretic criteria under cardinality constraints. These criteria include entropy rate, information-theoretic distance to factorizability, independence, and stationarity. We formulate these tasks as best subset selection problems over multivariate Markov chains and leverage the submodular (or supermodular) structure of the objective functions to develop efficient greedy-based algorithms with theoretical guarantees. We extend our analysis to k-submodular settings and introduce a generalized version of the distorted greedy algorithm, which may be of independent interest. Finally, we illustrate the theory and algorithms through extensive numerical experiments with publicly available code on multivariate Markov chains associated with the Bernoulli-Laplace and Curie-Weiss model.

Selective state-space models (SSMs) are an emerging alternative to the Transformer, offering the unique advantage of parallel training and sequential inference. Although these models have shown promising performance on a variety of tasks, their formal expressiveness and length generalization properties remain underexplored. In this work, we provide insight into the workings of selective SSMs by analyzing their expressiveness and length generalization performance on regular language tasks, i.e., finite-state automaton (FSA) emulation. We address certain limitations of modern SSM-based architectures by introducing the Selective Dense State-Space Model (SD-SSM), the first selective SSM that exhibits perfect length generalization on a set of various regular language tasks using a single layer. It utilizes a dictionary of dense transition matrices, a softmax selection mechanism that creates a convex combination of dictionary matrices at each time step, and a readout consisting of layer normalization followed by a linear map. We then proceed to evaluate variants of diagonal selective SSMs by considering their empirical performance on commutative and non-commutative automata. We explain the experimental results with theoretical considerations. Our code is available at https://github.com/IBM/selective-dense-state-space-model.

Synthesizing SQL queries from natural language is a long-standing open problem and has been attracting considerable interest recently. Toward solving the problem, the de facto approach is to employ a sequence-to-sequence-style model. Such an approach will necessarily require the SQL queries to be serialized. Since the same SQL query may have multiple equivalent serializations, training a sequence-to-sequence-style model is sensitive to the choice from one of them. This phenomenon is documented as the "order-matters" problem. Existing state-of-the-art approaches rely on reinforcement learning to reward the decoder when it generates any of the equivalent serializations. However, we observe that the improvement from reinforcement learning is limited. In this paper, we propose a novel approach, i.e., SQLNet, to fundamentally solve this problem by avoiding the sequence-to-sequence structure when the order does not matter. In particular, we employ a sketch-based approach where the sketch contains a dependency graph so that one prediction can be done by taking into consideration only the previous predictions that it depends on. In addition, we propose a sequence-to-set model as well as the column attention mechanism to synthesize the query based on the sketch. By combining all these novel techniques, we show that SQLNet can outperform the prior art by 9% to 13% on the WikiSQL task.

The key-value (KV) cache accelerates LLMs decoding by storing KV tensors from previously generated tokens. It reduces redundant computation at the cost of increased memory usage. To mitigate this overhead, existing approaches compress KV tensors into lower-bit representations; however, quantization errors can accumulate as more tokens are generated, potentially resulting in undesired outputs. In this paper, we introduce SQuat (Subspace-orthogonal KV cache quantization). It first constructs a subspace spanned by query tensors to capture the most critical task-related information. During key tensor quantization, it enforces that the difference between the (de)quantized and original keys remains orthogonal to this subspace, minimizing the impact of quantization errors on the attention mechanism's outputs. SQuat requires no model fine-tuning, no additional calibration dataset for offline learning, and is grounded in a theoretical framework we develop. Through numerical experiments, we show that our method reduces peak memory by 2.17 to 2.82, improves throughput by 2.45 to 3.60, and achieves more favorable benchmark scores than existing KV cache quantization algorithms.

Expert problem-solving is driven by powerful languages for thinking about problems and their solutions. Acquiring expertise means learning these languages -- systems of concepts, alongside the skills to use them. We present DreamCoder, a system that learns to solve problems by writing programs. It builds expertise by creating programming languages for expressing domain concepts, together with neural networks to guide the search for programs within these languages. A ``wake-sleep'' learning algorithm alternately extends the language with new symbolic abstractions and trains the neural network on imagined and replayed problems. DreamCoder solves both classic inductive programming tasks and creative tasks such as drawing pictures and building scenes. It rediscovers the basics of modern functional programming, vector algebra and classical physics, including Newton's and Coulomb's laws. Concepts are built compositionally from those learned earlier, yielding multi-layered symbolic representations that are interpretable and transferrable to new tasks, while still growing scalably and flexibly with experience.

Quantum optimization holds promise for addressing classically intractable combinatorial problems, yet a standardized framework for benchmarking its performance, particularly in terms of solution quality, computational speed, and scalability is still lacking. In this work, we introduce a comprehensive benchmarking framework designed to systematically evaluate a range of quantum optimization techniques against well-established NP-hard combinatorial problems. Our framework focuses on key problem classes, including the Multi-Dimensional Knapsack Problem (MDKP), Maximum Independent Set (MIS), Quadratic Assignment Problem (QAP), and Market Share Problem (MSP). Our study evaluates gate-based quantum approaches, including the Variational Quantum Eigensolver (VQE) and its CVaR-enhanced variant, alongside advanced quantum algorithms such as the Quantum Approximate Optimization Algorithm (QAOA) and its extensions. To address resource constraints, we incorporate qubit compression techniques like Pauli Correlation Encoding (PCE) and Quantum Random Access Optimization (QRAO). Experimental results, obtained from simulated quantum environments and classical solvers, provide key insights into feasibility, optimality gaps, and scalability. Our findings highlight both the promise and current limitations of quantum optimization, offering a structured pathway for future research and practical applications in quantum-enhanced decision-making.

Keyphrase generation has primarily been explored within the context of academic research articles, with a particular focus on scientific domains and the English language. In this work, we present EUROPA, a dataset for multilingual keyphrase generation in the legal domain. It is derived from legal judgments from the Court of Justice of the European Union (EU), and contains instances in all 24 EU official languages. We run multilingual models on our corpus and analyze the results, showing room for improvement on a domain-specific multilingual corpus such as the one we present.

The advent of pre-trained large language models (LLMs) has revolutionized various natural language processing tasks. These models predominantly employ an auto-regressive decoding mechanism that utilizes Key-Value (KV) caches to eliminate redundant calculations for previous tokens. Nevertheless, as context lengths and batch sizes increase, the linear expansion in memory footprint of KV caches becomes a key bottleneck of LLM deployment, which decreases generation speeds significantly. To mitigate this issue, previous techniques like multi-query attention (MQA) and grouped-query attention (GQA) have been developed, in order to reduce KV heads to accelerate inference with comparable accuracy to multi-head attention (MHA). Despite their effectiveness, existing strategies for compressing MHA often overlook the intrinsic properties of the KV caches. In this work, we explore the low-rank characteristics of the KV caches and propose a novel approach for compressing KV heads. In particular, we carefully optimize the MHA-to-GQA transformation to minimize compression error, and to remain compatible with rotary position embeddings (RoPE), we also introduce specialized strategies for key caches with RoPE. We demonstrate that our method can compress half or even three-quarters of KV heads while maintaining performance comparable to the original LLMs, which presents a promising direction for more efficient LLM deployment in resource-constrained environments.

Large language models (LLMs) have achieved remarkable success on various aspects of human life. However, one of the major challenges in deploying these models is the substantial memory consumption required to store key-value pairs (KV), which imposes significant resource demands. Recent research has focused on KV cache budget allocation, with several approaches proposing head-level budget distribution by evaluating the importance of individual attention heads. These methods, however, assess the importance of heads independently, overlooking their cooperative contributions within the model, which may result in a deviation from their true impact on model performance. In light of this limitation, we propose CoKV, a novel method that models the cooperation between heads in model inference as a cooperative game. By evaluating the contribution of each head within the cooperative game, CoKV can allocate the cache budget more effectively. Extensive experiments show that CoKV achieves state-of-the-art performance on the LongBench benchmark using LLama-3-8B-Instruct and Mistral-7B models.

Existing combinatorial search methods are often complex and require some level of expertise. This work introduces a simple and efficient deep learning method for solving combinatorial problems with a predefined goal, represented by Rubik's Cube. We demonstrate that, for such problems, training a deep neural network on random scrambles branching from the goal state is sufficient to achieve near-optimal solutions. When tested on Rubik's Cube, 15 Puzzle, and 7times7 Lights Out, our method outperformed the previous state-of-the-art method DeepCubeA, improving the trade-off between solution optimality and computational cost, despite significantly less training data. Furthermore, we investigate the scaling law of our Rubik's Cube solver with respect to model size and training data volume.

Real-valued functions on geometric data -- such as node attributes on a graph -- can be optimized using descriptors from persistent homology, allowing the user to incorporate topological terms in the loss function. When optimizing a single real-valued function (the one-parameter setting), there is a canonical choice of descriptor for persistent homology: the barcode. The operation mapping a real-valued function to its barcode is differentiable almost everywhere, and the convergence of gradient descent for losses using barcodes is relatively well understood. When optimizing a vector-valued function (the multiparameter setting), there is no unique choice of descriptor for multiparameter persistent homology, and many distinct descriptors have been proposed. This calls for the development of a general framework for differentiability and optimization that applies to a wide range of multiparameter homological descriptors. In this article, we develop such a framework and show that it encompasses well-known descriptors of different flavors, such as signed barcodes and the multiparameter persistence landscape. We complement the theory with numerical experiments supporting the idea that optimizing multiparameter homological descriptors can lead to improved performances compared to optimizing one-parameter descriptors, even when using the simplest and most efficiently computable multiparameter descriptors.

Inference-time optimization scales computation to derive deliberate reasoning steps for effective performance. While previous search-based strategies address the short-sightedness of auto-regressive generation, the vast search space leads to excessive exploration and insufficient exploitation. To strike an efficient balance to derive the optimal step, we frame the decoding strategy as foresight sampling, leveraging simulated future steps to obtain globally optimal step estimation. Built on it, we propose a novel decoding strategy, named phi-Decoding. To provide a precise and expressive estimation of step value, phi-Decoding approximates two distributions via foresight and clustering. Sampling from the joint distribution, the optimal steps can be selected for exploitation. To support adaptive computation allocation, we propose in-width and in-depth pruning strategies, featuring a light-weight solution to achieve inference efficiency. Extensive experiments across seven benchmarks show phi-Decoding outperforms strong baselines in both performance and efficiency. Additional analysis demonstrates its generalization across various LLMs and scalability across a wide range of computing budgets. The code will be released at https://github.com/xufangzhi/phi-Decoding, and the open-source PyPI package is coming soon.

Large language models (LLMs) have seen considerable advancements in natural language understanding tasks, yet there remains a gap to bridge before attaining true artificial general intelligence, especially concerning shortcomings in mathematical reasoning capabilities. We postulate that the inherent nature of LLM training, which focuses on predicting probabilities of next token, presents challenges in effectively modeling mathematical reasoning that demands exact calculations, both from data-driven and theoretical standpoints. In this paper, we address this challenge by enriching the data landscape and introducing a novel math dataset, enhanced with a capability to utilize a Python code interpreter. This dataset is derived from GSM8K and MATH and has been further refined through a combination of GPT-4 annotations, human review, and self-training processes, where the errors in the original GSM8K training set have been fixed. Additionally, we propose a tentative, easily replicable protocol for the fine-tuning of math-specific LLMs, which has led to a significant improvement in the performance of a 7B-parameter LLM on the GSM8K and MATH datasets. We are committed to advancing the field of mathematical reasoning in LLMs and, to that end, we have made the model checkpoints and will make the dataset publicly available. We hope this will facilitate further research and development within the community.

In the rapidly evolving semiconductor industry, where research, design, verification, and manufacturing are intricately linked, the potential of Large Language Models to revolutionize hardware design and security verification is immense. The primary challenge, however, lies in the complexity of hardware specific issues that are not adequately addressed by the natural language or software code knowledge typically acquired during the pretraining stage. Additionally, the scarcity of datasets specific to the hardware domain poses a significant hurdle in developing a foundational model. Addressing these challenges, this paper introduces Hardware Phi 1.5B, an innovative large language model specifically tailored for the hardware domain of the semiconductor industry. We have developed a specialized, tiered dataset comprising small, medium, and large subsets and focused our efforts on pretraining using the medium dataset. This approach harnesses the compact yet efficient architecture of the Phi 1.5B model. The creation of this first pretrained, hardware domain specific large language model marks a significant advancement, offering improved performance in hardware design and verification tasks and illustrating a promising path forward for AI applications in the semiconductor sector.

Twenty-seven years ago, E. Freuder highlighted that "Constraint programming represents one of the closest approaches computer science has yet made to the Holy Grail of programming: the user states the problem, the computer solves it". Nowadays, CP users have great modeling tools available (like Minizinc and CPMpy), allowing them to formulate the problem and then let a solver do the rest of the job, getting closer to the stated goal. However, this still requires the CP user to know the formalism and respect it. Another significant challenge lies in the expertise required to effectively model combinatorial problems. All this limits the wider adoption of CP. In this position paper, we investigate a possible approach to leverage pre-trained Large Language Models to extract models from textual problem descriptions. More specifically, we take inspiration from the Natural Language Processing for Optimization (NL4OPT) challenge and present early results with a decomposition-based prompting approach to GPT Models.